| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44 | Very low | 71.3 | Confident | 224 Ų | 224 | 58.5 Ų | 58.5 | 100% | 1.103 | 32% | 0.321 | S | S | * | . | 0 | 106.7 | 0 | -69.3 | 165.7 | 175.3 | 0 | 0 | 107.2 | V3 | M1-V3 PolarHBondContact O-N 3.31Š| |||
| 2 | A | 56.1 | Low | 70.8 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | trans | -88.8 | 94.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | L4 P23 | A2-L4 PolarHBondContact O-N 3.18Å; A2-P23 WeakPolarHBondContact O-CD 3.47Å; A2-P23 WeakPolarHBondContact O-CG 3.3Å | ||
| 3 | V | 66.6 | Low | 70.4 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | trans | -75.6 | 121.4 | -175.4 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | M1 S5 Q20 S77 | M1-V3 PolarHBondContact O-N 3.31Å; V3-S5 PolarHBondContact O-N 2.66Å; V3-Q20 HydrophobicContact CG1-CB 3.54Å; V3-Q20 HydrophobicContact CG1-CG 3.66Å; V3-S77 PolarHBondContact O-OG 2.69Å | ||
| 4 | L | 75 | Confident | 69.9 | Low | 18 Ų | 18 | 67.9 Ų | 67.9 | 9% | 0.094 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 112 | 176.2 | -85.4 | 169.2 | 0 | 0 | 0 | 109.9 | A2 L6 Q20 F21 P23 V75 S77 | A2-L4 PolarHBondContact O-N 3.18Å; L4-L6 HydrophobicContact CB-CD1 4.42Å; L4-L6 HydrophobicContact CB-CD2 4.22Å; L4-L6 HydrophobicContact CB-CG 4.12Å; L4-L6 HydrophobicContact CD2-CD2 4.17Å; L4-L6 PolarHBondContact O-N 2.66Å; L4-Q20 WeakPolarHBondContact O-CA 3.46Å; L4-F21 PolarHBondContact N-O 2.98Å; L4-F21 PolarHBondContact O-N 3.08Å; L4-P23 HydrophobicContact CD1-CB 4Å; L4-P23 HydrophobicContact CD1-CG 3.97Å; L4-P23 HydrophobicContact CG-CG 4.2Å; L4-V75 VanDerWaalsContact CD2-O 3.3Å; L4-V75 WeakPolarHBondContact CD2-O 3.46Å; L4-S77 WeakPolarHBondContact CA-OG 3.07Å; L4-S77 VanDerWaalsContact CD2-N 3.33Å |
| 5 | S | 81.9 | Confident | 69.9 | Low | 34 Ų | 34 | 67.1 Ų | 67.1 | 24% | 0.238 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 90.6 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 109.3 | V3 Q20 S77 G78 | V3-S5 PolarHBondContact O-N 2.66Å; S5-Q20 WeakPolarHBondContact OG-CG 3.36Å; S5-S77 PolarHBondContact N-OG 2.97Å; S5-G78 PolarHBondContact O-N 2.95Å |
| 6 | L | 79.8 | Confident | 70.2 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 139.6 | -172.6 | -54.9 | 179.7 | 0 | 0 | 0 | 110.8 | L4 V8 T18 I19 F21 L70 V75 R76 L81 | L4-L6 HydrophobicContact CB-CD1 4.42Å; L4-L6 HydrophobicContact CB-CD2 4.22Å; L4-L6 HydrophobicContact CB-CG 4.12Å; L4-L6 HydrophobicContact CD2-CD2 4.17Å; L4-L6 PolarHBondContact O-N 2.66Å; L6-V8 PolarHBondContact O-N 3.12Å; L6-T18 CarbonylContact O-C 3.56Å; L6-T18 VanDerWaalsContact O-CA 3.31Å; L6-T18 WeakPolarHBondContact O-CA 3.49Å; L6-I19 PolarHBondContact N-O 2.61Å; L6-I19 PolarHBondContact O-N 2.9Å; L6-F21 HydrophobicContact CB-CD2 4.09Å; L6-F21 HydrophobicContact CB-CE2 4.05Å; L6-F21 HydrophobicContact CD1-CD2 3.76Å; L6-F21 HydrophobicContact CD1-CE2 4.22Å; L6-F21 HydrophobicContact CG-CD2 4.02Å; L6-F21 HydrophobicContact CG-CE2 4.45Å; L6-L70 HydrophobicContact CD1-CD1 4.09Å; L6-L70 HydrophobicContact CD1-CD2 4.49Å; L6-V75 HydrophobicContact CD1-CG1 4.02Å; L6-V75 HydrophobicContact CD2-CB 4.48Å; L6-V75 HydrophobicContact CD2-CG1 3.57Å; L6-V75 HydrophobicContact CG-CG1 4.44Å; L6-R76 WeakPolarHBondContact CD2-O 3.28Å; L6-L81 HydrophobicContact CB-CD1 4.35Å; L6-L81 HydrophobicContact CD1-CD1 3.64Å |
| 7 | K | 81.6 | Confident | 70.4 | Confident | 91 Ų | 91 | 68.8 Ų | 68.8 | 40% | 0.396 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 103.1 | 176.3 | -69.7 | 175.6 | -176.9 | 163.7 | 0 | 108.9 | L16 G78 D79 L80 L81 | K7-L16 HydrophobicContact CB-CD1 4.13Å; K7-L16 HydrophobicContact CB-CG 4.48Å; K7-L16 HydrophobicContact CD-CD2 4.45Å; K7-G78 WeakPolarHBondContact CD-O 3.22Å; K7-D79 PolarHBondContact N-O 3.42Å; K7-L80 HydrophobicContact CB-CD1 4.26Å; K7-L80 WeakPolarHBondContact O-CA 3.4Å; K7-L81 PolarHBondContact O-N 3.15Å |
| 8 | V | 79.4 | Confident | 71 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 119.5 | 178.1 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | L6 L16 K17 I19 F21 I34 L81 | L6-V8 PolarHBondContact O-N 3.12Å; V8-L16 WeakPolarHBondContact O-CA 3.47Å; V8-K17 PolarHBondContact N-O 3.44Å; V8-K17 PolarHBondContact O-N 3.21Å; V8-I19 HydrophobicContact CB-CD1 4.35Å; V8-I19 HydrophobicContact CG2-CB 4.29Å; V8-I19 HydrophobicContact CG2-CD1 4.26Å; V8-F21 HydrophobicContact CG2-CE2 3.95Å; V8-F21 HydrophobicContact CG2-CZ 4.04Å; V8-I34 HydrophobicContact CG1-CD1 3.8Å; V8-I34 HydrophobicContact CG1-CG1 4.07Å; V8-I34 HydrophobicContact CG1-CG2 4.01Å; V8-I34 HydrophobicContact CG2-CD1 4.04Å; V8-I34 HydrophobicContact CG2-CG1 4.15Å; V8-L81 CarbonylContact C-O 3.57Å; V8-L81 VanDerWaalsContact CA-O 3.29Å; V8-L81 WeakPolarHBondContact CA-O 3.41Å |
| 9 | R | 79.8 | Confident | 71.6 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 34% | 0.343 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128 | 172.5 | -173.4 | -171.3 | -76.1 | 160.2 | -6.9 | 109.7 | A11 V15 L16 L80 L81 E82 Y83 | R9-A11 PolarHBondContact O-N 3.27Å; R9-V15 CarbonylContact C-O 3.5Å; R9-V15 WeakPolarHBondContact CA-O 3.4Å; R9-L16 HydrophobicContact CB-CD1 3.77Å; R9-L16 HydrophobicContact CG-CD1 4.39Å; R9-L80 HydrophobicContact CB-CD1 4.13Å; R9-L81 PolarHBondContact N-O 2.93Å; R9-E82 HydrophobicContact CB-CG 4.41Å; R9-E82 WeakPolarHBondContact CD-OE1 3.36Å; R9-E82 IonicContact CZ-OE1 3.57Å; R9-E82 IonicContact NE-OE1 3.6Å; R9-E82 IonicContact NH1-OE1 2.72Å; R9-E82 PolarHBondContact NH1-OE1 3.1Å; R9-E82 CarbonylContact O-C 3.52Å; R9-E82 WeakPolarHBondContact O-CA 3.37Å; R9-Y83 PolarHBondContact O-N 3.33Å |
| 10 | I | 74.8 | Confident | 72.2 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.046 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 107.2 | 167.8 | -60.2 | 175.7 | 0 | 0 | 0 | 107.5 | D12 R13 G14 V15 M38 A41 L43 | I10-D12 VanDerWaalsContact C-N 3.33Å; I10-D12 PolarHBondContact O-N 3.38Å; I10-R13 HydrophobicContact CG2-CB 4.38Å; I10-R13 PolarHBondContact O-N 2.89Å; I10-R13 VanDerWaalsContact O-N 3.14Å; I10-G14 PolarHBondContact O-N 3.02Å; I10-V15 PolarHBondContact N-O 2.9Å; I10-M38 HydrophobicContact CD1-CE 4.07Å; I10-M38 HydrophobicContact CD1-SD 3.84Å; I10-M38 HydrophobicContact CG1-CE 4.29Å; I10-A41 HydrophobicContact CD1-CB 4.16Å; I10-L43 HydrophobicContact CG2-CD1 3.88Å |
| 11 | A | 65.3 | Low | 72.6 | Confident | 32 Ų | 32 | 66.1 Ų | 66.1 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -56.7 | -44.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R9 R13 Y83 K84 | R9-A11 PolarHBondContact O-N 3.27Å; A11-R13 PolarHBondContact O-N 3.39Å; A11-R13 VanDerWaalsContact O-N 3.12Å; A11-Y83 PolarHBondContact N-O 3.14Å; A11-K84 HydrophobicContact CB-CB 4.2Å; A11-K84 HydrophobicContact CB-CD 3.9Å; A11-K84 HydrophobicContact CB-CG 3.79Å |
| 12 | D | 65 | Low | 74.3 | Confident | 92 Ų | 92 | 59.2 Ų | 59.2 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -67.7 | -9.6 | -178.1 | -66.7 | -7.1 | 0 | 0 | 0 | 114.9 | I10 | I10-D12 VanDerWaalsContact C-N 3.33Å; I10-D12 PolarHBondContact O-N 3.38Å |
| 13 | R | 65.6 | Low | 75.4 | Confident | 158 Ų | 158 | 56.8 Ų | 56.8 | 60% | 0.596 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -132.8 | -3 | -178.6 | -69.6 | -165.4 | 175.7 | -172.6 | 1.1 | 115.2 | I10 A11 V15 E40 | I10-R13 HydrophobicContact CG2-CB 4.38Å; I10-R13 PolarHBondContact O-N 2.89Å; I10-R13 VanDerWaalsContact O-N 3.14Å; A11-R13 PolarHBondContact O-N 3.39Å; A11-R13 VanDerWaalsContact O-N 3.12Å; R13-V15 HydrophobicContact CB-CG2 4.11Å; R13-V15 PolarHBondContact O-N 3.33Å; R13-E40 PolarHBondContact NH1-O 2.94Å |
| 14 | G | 63.8 | Low | 76.2 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 60% | 0.598 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 4.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I10 L16 | I10-G14 PolarHBondContact O-N 3.02Å; G14-L16 PolarHBondContact O-N 2.92Å |
| 15 | V | 69.6 | Low | 76.5 | Confident | 56 Ų | 56 | 57.8 Ų | 57.8 | 34% | 0.339 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 125.1 | -177.7 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | R9 I10 R13 K17 | R9-V15 CarbonylContact C-O 3.5Å; R9-V15 WeakPolarHBondContact CA-O 3.4Å; I10-V15 PolarHBondContact N-O 2.9Å; R13-V15 HydrophobicContact CB-CG2 4.11Å; R13-V15 PolarHBondContact O-N 3.33Å; V15-K17 HydrophobicContact CG1-CG 4.26Å |
| 16 | L | 74.6 | Confident | 76.5 | Confident | 87 Ų | 87 | 59.3 Ų | 59.3 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.7 | 174.6 | -168.3 | 79.2 | 0 | 0 | 0 | 109.3 | K7 V8 R9 G14 L80 | K7-L16 HydrophobicContact CB-CD1 4.13Å; K7-L16 HydrophobicContact CB-CG 4.48Å; K7-L16 HydrophobicContact CD-CD2 4.45Å; V8-L16 WeakPolarHBondContact O-CA 3.47Å; R9-L16 HydrophobicContact CB-CD1 3.77Å; R9-L16 HydrophobicContact CG-CD1 4.39Å; G14-L16 PolarHBondContact O-N 2.92Å; L16-L80 HydrophobicContact CD1-CD1 3.41Å; L16-L80 VanDerWaalsContact CD1-CD1 3.41Å |
| 17 | K | 73.9 | Confident | 76.5 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 33% | 0.33 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.5 | 166.2 | -60 | -168.2 | -167.7 | 169.4 | 0 | 110.3 | V8 V15 I19 M38 E40 | V8-K17 PolarHBondContact N-O 3.44Å; V8-K17 PolarHBondContact O-N 3.21Å; V15-K17 HydrophobicContact CG1-CG 4.26Å; K17-I19 PolarHBondContact O-N 2.95Å; K17-M38 HydrophobicContact CB-CE 3.72Å; K17-M38 HydrophobicContact CB-SD 4.31Å; K17-M38 HydrophobicContact CD-CE 4.15Å; K17-M38 HydrophobicContact CD-CG 4.45Å; K17-M38 HydrophobicContact CD-SD 3.55Å; K17-M38 VanDerWaalsContact CD-SD 3.55Å; K17-M38 HydrophobicContact CG-CE 3.93Å; K17-M38 HydrophobicContact CG-SD 3.92Å; K17-E40 IonicContact NZ-OE2 2.69Å; K17-E40 PolarHBondContact NZ-OE2 3.5Å |
| 18 | T | 81.7 | Confident | 76.4 | Confident | 89 Ų | 89 | 60.4 Ų | 60.4 | 55% | 0.546 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 119 | 169.4 | -49.8 | 0 | 0 | 0 | 0 | 109 | L6 | L6-T18 CarbonylContact O-C 3.56Å; L6-T18 VanDerWaalsContact O-CA 3.31Å; L6-T18 WeakPolarHBondContact O-CA 3.49Å |
| 19 | I | 82.7 | Confident | 76.4 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135.9 | 176.1 | -64.9 | 175.9 | 0 | 0 | 0 | 109.2 | L6 V8 K17 F21 I33 I34 K37 M38 | L6-I19 PolarHBondContact N-O 2.61Å; L6-I19 PolarHBondContact O-N 2.9Å; V8-I19 HydrophobicContact CB-CD1 4.35Å; V8-I19 HydrophobicContact CG2-CB 4.29Å; V8-I19 HydrophobicContact CG2-CD1 4.26Å; K17-I19 PolarHBondContact O-N 2.95Å; I19-F21 HydrophobicContact CB-CD2 4.46Å; I19-F21 HydrophobicContact CB-CE2 3.63Å; I19-F21 HydrophobicContact CB-CZ 3.78Å; I19-F21 HydrophobicContact CG2-CD1 4.4Å; I19-F21 HydrophobicContact CG2-CD2 4.1Å; I19-F21 HydrophobicContact CG2-CE1 3.84Å; I19-F21 HydrophobicContact CG2-CE2 3.51Å; I19-F21 HydrophobicContact CG2-CZ 3.35Å; I19-F21 WeakPolarHBondContact O-CD2 3.4Å; I19-F21 WeakPolarHBondContact O-CE2 3.36Å; I19-I33 HydrophobicContact CG2-CG2 4.29Å; I19-I34 HydrophobicContact CD1-CB 4.42Å; I19-I34 HydrophobicContact CD1-CG1 4.04Å; I19-I34 HydrophobicContact CD1-CG2 4.5Å; I19-K37 HydrophobicContact CD1-CB 4.45Å; I19-K37 HydrophobicContact CG2-CD 3.72Å; I19-M38 HydrophobicContact CD1-CE 3.94Å; I19-M38 HydrophobicContact CD1-CG 4.33Å |
| 20 | Q | 82 | Confident | 76.3 | Confident | 115 Ų | 115 | 58.9 Ų | 58.9 | 54% | 0.537 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 128.1 | 171.5 | -78.7 | -179.7 | -8.7 | 0 | 0 | 111.5 | V3 L4 S5 K37 | V3-Q20 HydrophobicContact CG1-CB 3.54Å; V3-Q20 HydrophobicContact CG1-CG 3.66Å; L4-Q20 WeakPolarHBondContact O-CA 3.46Å; S5-Q20 WeakPolarHBondContact OG-CG 3.36Å; Q20-K37 PolarHBondContact O-NZ 3.42Å |
| 21 | F | 80.9 | Confident | 76.4 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 156.7 | 173.9 | -54.9 | -88 | 0 | 0 | 0 | 110.3 | L4 L6 V8 I19 A30 I33 I34 L70 | L4-F21 PolarHBondContact N-O 2.98Å; L4-F21 PolarHBondContact O-N 3.08Å; L6-F21 HydrophobicContact CB-CD2 4.09Å; L6-F21 HydrophobicContact CB-CE2 4.05Å; L6-F21 HydrophobicContact CD1-CD2 3.76Å; L6-F21 HydrophobicContact CD1-CE2 4.22Å; L6-F21 HydrophobicContact CG-CD2 4.02Å; L6-F21 HydrophobicContact CG-CE2 4.45Å; V8-F21 HydrophobicContact CG2-CE2 3.95Å; V8-F21 HydrophobicContact CG2-CZ 4.04Å; I19-F21 HydrophobicContact CB-CD2 4.46Å; I19-F21 HydrophobicContact CB-CE2 3.63Å; I19-F21 HydrophobicContact CB-CZ 3.78Å; I19-F21 HydrophobicContact CG2-CD1 4.4Å; I19-F21 HydrophobicContact CG2-CD2 4.1Å; I19-F21 HydrophobicContact CG2-CE1 3.84Å; I19-F21 HydrophobicContact CG2-CE2 3.51Å; I19-F21 HydrophobicContact CG2-CZ 3.35Å; I19-F21 WeakPolarHBondContact O-CD2 3.4Å; I19-F21 WeakPolarHBondContact O-CE2 3.36Å; F21-A30 HydrophobicContact CD1-CB 4.03Å; F21-A30 HydrophobicContact CE1-CB 3.92Å; F21-I33 HydrophobicContact CD1-CB 4.45Å; F21-I33 HydrophobicContact CD1-CG2 4.08Å; F21-I33 HydrophobicContact CE1-CB 4.07Å; F21-I33 HydrophobicContact CE1-CG2 3.76Å; F21-I34 HydrophobicContact CE1-CD1 4.46Å; F21-I34 HydrophobicContact CE1-CG1 4.01Å; F21-I34 HydrophobicContact CZ-CD1 3.97Å; F21-I34 HydrophobicContact CZ-CG1 3.58Å; F21-L70 HydrophobicContact CB-CD1 3.64Å; F21-L70 HydrophobicContact CD1-CD1 4.27Å; F21-L70 HydrophobicContact CD2-CD1 4.39Å; F21-L70 HydrophobicContact CG-CD1 3.87Å |
| 22 | D | 80.8 | Confident | 76.9 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | trans | -84.6 | 142.7 | 166.7 | -145.2 | 1.8 | 0 | 0 | 0 | 108.6 | T24 T25 | D22-T24 PolarHBondContact O-N 3.1Å; D22-T24 VanDerWaalsContact O-N 3.14Å; D22-T25 PolarHBondContact N-OG1 3.15Å; D22-T25 VanDerWaalsContact N-OG1 3.16Å; D22-T25 WeakPolarHBondContact O-CB 3.37Å; D22-T25 PolarHBondContact O-N 2.72Å; D22-T25 PolarHBondContact O-OG1 3.35Å | ||
| 23 | P | 79.1 | Confident | 77.5 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 20% | 0.201 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29.3 | -179.2 | -24.8 | 35 | 0 | 0 | 0 | 114.2 | A2 L4 T25 E71 | A2-P23 WeakPolarHBondContact O-CD 3.47Å; A2-P23 WeakPolarHBondContact O-CG 3.3Å; L4-P23 HydrophobicContact CD1-CB 4Å; L4-P23 HydrophobicContact CD1-CG 3.97Å; L4-P23 HydrophobicContact CG-CG 4.2Å; P23-T25 PolarHBondContact O-N 2.66Å; P23-E71 PolarHBondContact O-N 3.4Å |
| 24 | T | 82.4 | Confident | 78 | Confident | 86 Ų | 86 | 52.8 Ų | 52.8 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -6.3 | 175.2 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | D22 I26 | D22-T24 PolarHBondContact O-N 3.1Å; D22-T24 VanDerWaalsContact O-N 3.14Å; T24-I26 PolarHBondContact O-N 3.1Å |
| 25 | T | 81.5 | Confident | 78.3 | Confident | 16 Ų | 16 | 54 Ų | 54 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | trans | -62.9 | 124 | 179.2 | -48.3 | 0 | 0 | 0 | 0 | 109.5 | D22 P23 D29 A30 I33 T69 L70 | D22-T25 PolarHBondContact N-OG1 3.15Å; D22-T25 VanDerWaalsContact N-OG1 3.16Å; D22-T25 WeakPolarHBondContact O-CB 3.37Å; D22-T25 PolarHBondContact O-N 2.72Å; D22-T25 PolarHBondContact O-OG1 3.35Å; P23-T25 PolarHBondContact O-N 2.66Å; T25-D29 HydrophobicContact CG2-CB 3.93Å; T25-A30 HydrophobicContact CG2-CB 4.01Å; T25-I33 HydrophobicContact CG2-CD1 3.84Å; T25-T69 WeakPolarHBondContact O-CA 3.44Å; T25-L70 PolarHBondContact O-N 2.96Å | ||
| 26 | I | 82.9 | Confident | 78.5 | Confident | 65 Ų | 65 | 57.2 Ų | 57.2 | 33% | 0.333 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 141.8 | 173.8 | -51.3 | 176.3 | 0 | 0 | 0 | 108.4 | T24 Y28 D29 A30 N66 | T24-I26 PolarHBondContact O-N 3.1Å; I26-Y28 PolarHBondContact O-N 3.14Å; I26-Y28 VanDerWaalsContact O-N 3.15Å; I26-D29 CarbonylContact O-C 3.56Å; I26-D29 WeakPolarHBondContact O-CA 3.4Å; I26-D29 PolarHBondContact O-N 3.22Å; I26-A30 PolarHBondContact O-N 3.14Å; I26-N66 WeakPolarHBondContact CG2-O 3.49Å |
| 27 | V | 79.7 | Confident | 78.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54 | -36.4 | -179.5 | 168.6 | 0 | 0 | 0 | 0 | 112.3 | A30 C31 L51 M64 E65 K68 L70 Y73 | V27-A30 PolarHBondContact O-N 2.89Å; V27-C31 WeakPolarHBondContact O-CB 3.38Å; V27-C31 PolarHBondContact O-N 3.34Å; V27-C31 PolarHBondContact O-SG 2.93Å; V27-L51 HydrophobicContact CG1-CB 4.35Å; V27-L51 HydrophobicContact CG1-CD1 4.31Å; V27-M64 HydrophobicContact CB-CB 4.34Å; V27-M64 HydrophobicContact CG1-CB 3.59Å; V27-M64 HydrophobicContact CG2-CB 3.78Å; V27-M64 HydrophobicContact CG2-CG 4.47Å; V27-M64 HydrophobicContact CG2-SD 4.12Å; V27-E65 WeakPolarHBondContact CB-O 3.28Å; V27-K68 VanDerWaalsContact CG2-O 3.27Å; V27-K68 WeakPolarHBondContact CG2-O 3.29Å; V27-K68 PolarHBondContact N-O 2.83Å; V27-L70 HydrophobicContact CG2-CD2 4.47Å; V27-Y73 HydrophobicContact CG2-CD2 4.42Å; V27-Y73 HydrophobicContact CG2-CE2 4.21Å |
| 28 | Y | 78.5 | Confident | 77.9 | Confident | 115 Ų | 115 | 55 Ų | 55 | 45% | 0.451 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 171.5 | -178.7 | -99 | 0 | 0 | 0 | 112.7 | I26 C31 K32 N66 | I26-Y28 PolarHBondContact O-N 3.14Å; I26-Y28 VanDerWaalsContact O-N 3.15Å; Y28-C31 WeakPolarHBondContact O-CB 3.49Å; Y28-C31 PolarHBondContact O-N 3.42Å; Y28-K32 WeakPolarHBondContact O-CB 3.39Å; Y28-K32 PolarHBondContact O-N 3.45Å; Y28-N66 VanDerWaalsContact CB-O 3.24Å; Y28-N66 WeakPolarHBondContact CB-O 3.38Å; Y28-N66 PolarHBondContact N-O 2.91Å; Y28-N66 VanDerWaalsContact N-O 3.17Å |
| 29 | D | 80.6 | Confident | 76.8 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 32% | 0.316 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.1 | -30.6 | 176.4 | -69.2 | -40.6 | 0 | 0 | 0 | 111.9 | T25 I26 K32 I33 | T25-D29 HydrophobicContact CG2-CB 3.93Å; I26-D29 CarbonylContact O-C 3.56Å; I26-D29 WeakPolarHBondContact O-CA 3.4Å; I26-D29 PolarHBondContact O-N 3.22Å; D29-K32 CarbonylContact O-C 3.6Å; D29-K32 WeakPolarHBondContact O-CB 3.45Å; D29-K32 PolarHBondContact O-N 3.13Å; D29-I33 WeakPolarHBondContact O-CB 3.46Å; D29-I33 WeakPolarHBondContact O-CD1 3.26Å; D29-I33 WeakPolarHBondContact O-CG1 3.4Å; D29-I33 PolarHBondContact O-N 2.86Å |
| 30 | A | 78.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F21 T25 I26 V27 K32 I33 I34 L51 L70 | F21-A30 HydrophobicContact CD1-CB 4.03Å; F21-A30 HydrophobicContact CE1-CB 3.92Å; T25-A30 HydrophobicContact CG2-CB 4.01Å; I26-A30 PolarHBondContact O-N 3.14Å; V27-A30 PolarHBondContact O-N 2.89Å; A30-K32 VanDerWaalsContact C-N 3.28Å; A30-K32 PolarHBondContact O-N 3.47Å; A30-I33 PolarHBondContact O-N 3.28Å; A30-I34 WeakPolarHBondContact O-CD1 3.47Å; A30-I34 WeakPolarHBondContact O-CG1 3.43Å; A30-I34 PolarHBondContact O-N 2.95Å; A30-L51 HydrophobicContact CB-CD1 3.74Å; A30-L70 HydrophobicContact CB-CD1 4.15Å; A30-L70 HydrophobicContact CB-CD2 4.31Å; A30-L70 HydrophobicContact CB-CG 4.36Å |
| 31 | C | 76 | Confident | 74.2 | Confident | 13 Ų | 13 | 56.1 Ų | 56.1 | 9% | 0.088 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56 | -41.9 | 170.2 | -76.6 | 0 | 0 | 0 | 0 | 112.1 | V27 Y28 I34 R35 Y83 | V27-C31 WeakPolarHBondContact O-CB 3.38Å; V27-C31 PolarHBondContact O-N 3.34Å; V27-C31 PolarHBondContact O-SG 2.93Å; Y28-C31 WeakPolarHBondContact O-CB 3.49Å; Y28-C31 PolarHBondContact O-N 3.42Å; C31-I34 PolarHBondContact O-N 3.16Å; C31-R35 PolarHBondContact O-N 3.48Å; C31-R35 VanDerWaalsContact O-N 3.14Å; C31-Y83 HydrophobicContact CB-CE2 4.11Å |
| 32 | K | 75.1 | Confident | 72.9 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 45% | 0.452 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 176.6 | -167.5 | -173.5 | 177.1 | -157.6 | 0 | 111.9 | Y28 D29 A30 I34 R35 E36 | Y28-K32 WeakPolarHBondContact O-CB 3.39Å; Y28-K32 PolarHBondContact O-N 3.45Å; D29-K32 CarbonylContact O-C 3.6Å; D29-K32 WeakPolarHBondContact O-CB 3.45Å; D29-K32 PolarHBondContact O-N 3.13Å; A30-K32 VanDerWaalsContact C-N 3.28Å; A30-K32 PolarHBondContact O-N 3.47Å; K32-I34 VanDerWaalsContact C-N 3.35Å; K32-I34 PolarHBondContact O-N 3.38Å; K32-R35 WeakPolarHBondContact O-CB 3.46Å; K32-R35 PolarHBondContact O-N 3.42Å; K32-R35 VanDerWaalsContact O-N 3.15Å; K32-E36 WeakPolarHBondContact CE-OE1 3.48Å; K32-E36 IonicContact NZ-OE1 3.6Å; K32-E36 WeakPolarHBondContact O-CG 3.45Å; K32-E36 PolarHBondContact O-N 3.06Å |
| 33 | I | 78 | Confident | 71.6 | Confident | 43 Ų | 43 | 61.5 Ų | 61.5 | 22% | 0.221 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.8 | -37.3 | 176.8 | -72.3 | 162.7 | 0 | 0 | 0 | 111.5 | I19 F21 T25 D29 A30 R35 E36 K37 | I19-I33 HydrophobicContact CG2-CG2 4.29Å; F21-I33 HydrophobicContact CD1-CB 4.45Å; F21-I33 HydrophobicContact CD1-CG2 4.08Å; F21-I33 HydrophobicContact CE1-CB 4.07Å; F21-I33 HydrophobicContact CE1-CG2 3.76Å; T25-I33 HydrophobicContact CG2-CD1 3.84Å; D29-I33 WeakPolarHBondContact O-CB 3.46Å; D29-I33 WeakPolarHBondContact O-CD1 3.26Å; D29-I33 WeakPolarHBondContact O-CG1 3.4Å; D29-I33 PolarHBondContact O-N 2.86Å; A30-I33 PolarHBondContact O-N 3.28Å; I33-R35 VanDerWaalsContact C-N 3.31Å; I33-E36 PolarHBondContact O-N 3.28Å; I33-K37 HydrophobicContact CG2-CD 3.78Å; I33-K37 HydrophobicContact CG2-CG 4.26Å; I33-K37 VanDerWaalsContact O-CB 3.29Å; I33-K37 WeakPolarHBondContact O-CB 3.42Å; I33-K37 WeakPolarHBondContact O-CG 3.3Å; I33-K37 PolarHBondContact O-N 3.48Å |
| 34 | I | 75.6 | Confident | 70.6 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 173.2 | -70.5 | 161.8 | 0 | 0 | 0 | 110.1 | V8 I19 F21 A30 C31 K32 M38 L51 Y83 | V8-I34 HydrophobicContact CG1-CD1 3.8Å; V8-I34 HydrophobicContact CG1-CG1 4.07Å; V8-I34 HydrophobicContact CG1-CG2 4.01Å; V8-I34 HydrophobicContact CG2-CD1 4.04Å; V8-I34 HydrophobicContact CG2-CG1 4.15Å; I19-I34 HydrophobicContact CD1-CB 4.42Å; I19-I34 HydrophobicContact CD1-CG1 4.04Å; I19-I34 HydrophobicContact CD1-CG2 4.5Å; F21-I34 HydrophobicContact CE1-CD1 4.46Å; F21-I34 HydrophobicContact CE1-CG1 4.01Å; F21-I34 HydrophobicContact CZ-CD1 3.97Å; F21-I34 HydrophobicContact CZ-CG1 3.58Å; A30-I34 WeakPolarHBondContact O-CD1 3.47Å; A30-I34 WeakPolarHBondContact O-CG1 3.43Å; A30-I34 PolarHBondContact O-N 2.95Å; C31-I34 PolarHBondContact O-N 3.16Å; K32-I34 VanDerWaalsContact C-N 3.35Å; K32-I34 PolarHBondContact O-N 3.38Å; I34-M38 VanDerWaalsContact O-CB 3.3Å; I34-M38 WeakPolarHBondContact O-CB 3.4Å; I34-M38 WeakPolarHBondContact O-CG 3.48Å; I34-M38 PolarHBondContact O-N 3.16Å; I34-L51 HydrophobicContact CD1-CD1 3.91Å; I34-L51 HydrophobicContact CD1-CD2 3.5Å; I34-L51 HydrophobicContact CD1-CG 4Å; I34-Y83 HydrophobicContact CB-CD2 4.47Å; I34-Y83 HydrophobicContact CD1-CD2 4.23Å; I34-Y83 HydrophobicContact CG2-CD2 4Å; I34-Y83 HydrophobicContact CG2-CE2 4.46Å; I34-Y83 HydrophobicContact CG2-CG 4.02Å |
| 35 | R | 70 | Confident | 69.6 | Low | 83 Ų | 83 | 63.3 Ų | 63.3 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 179.2 | -167.3 | 176.3 | 178.9 | 138.2 | 2.9 | 112.7 | C31 K32 I33 M38 L43 G44 | C31-R35 PolarHBondContact O-N 3.48Å; C31-R35 VanDerWaalsContact O-N 3.14Å; K32-R35 WeakPolarHBondContact O-CB 3.46Å; K32-R35 PolarHBondContact O-N 3.42Å; K32-R35 VanDerWaalsContact O-N 3.15Å; I33-R35 VanDerWaalsContact C-N 3.31Å; R35-M38 CarbonylContact O-C 3.53Å; R35-L43 PolarHBondContact NH1-O 3.42Å; R35-G44 VanDerWaalsContact CZ-O 3.29Å; R35-G44 PolarHBondContact NH1-O 3.4Å; R35-G44 PolarHBondContact NH2-O 2.94Å |
| 36 | E | 73.9 | Confident | 68.2 | Low | 124 Ų | 124 | 65.5 Ų | 65.5 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -72.3 | -39.9 | 177.1 | -73.9 | 175.6 | -178.5 | 0 | 0 | 112.6 | K32 I33 M38 | K32-E36 WeakPolarHBondContact CE-OE1 3.48Å; K32-E36 IonicContact NZ-OE1 3.6Å; K32-E36 WeakPolarHBondContact O-CG 3.45Å; K32-E36 PolarHBondContact O-N 3.06Å; I33-E36 PolarHBondContact O-N 3.28Å; E36-M38 VanDerWaalsContact C-N 3.32Å |
| 37 | K | 70.6 | Confident | 67.4 | Low | 115 Ų | 115 | 70.4 Ų | 70.4 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -78.7 | -11.6 | 176.1 | -70 | -179.3 | 178.7 | 177.7 | 0 | 113.6 | I19 Q20 I33 | I19-K37 HydrophobicContact CD1-CB 4.45Å; I19-K37 HydrophobicContact CG2-CD 3.72Å; Q20-K37 PolarHBondContact O-NZ 3.42Å; I33-K37 HydrophobicContact CG2-CD 3.78Å; I33-K37 HydrophobicContact CG2-CG 4.26Å; I33-K37 VanDerWaalsContact O-CB 3.29Å; I33-K37 WeakPolarHBondContact O-CB 3.42Å; I33-K37 WeakPolarHBondContact O-CG 3.3Å; I33-K37 PolarHBondContact O-N 3.48Å |
| 38 | M | 65.6 | Low | 66.9 | Low | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.015 | 36% | 0.36 | C | S | . | . | trans | -124.3 | 72.6 | 174.7 | -59.2 | -133.4 | -135.3 | 0 | 0 | 111.9 | I10 K17 I19 I34 R35 E36 E40 A41 | I10-M38 HydrophobicContact CD1-CE 4.07Å; I10-M38 HydrophobicContact CD1-SD 3.84Å; I10-M38 HydrophobicContact CG1-CE 4.29Å; K17-M38 HydrophobicContact CB-CE 3.72Å; K17-M38 HydrophobicContact CB-SD 4.31Å; K17-M38 HydrophobicContact CD-CE 4.15Å; K17-M38 HydrophobicContact CD-CG 4.45Å; K17-M38 HydrophobicContact CD-SD 3.55Å; K17-M38 VanDerWaalsContact CD-SD 3.55Å; K17-M38 HydrophobicContact CG-CE 3.93Å; K17-M38 HydrophobicContact CG-SD 3.92Å; I19-M38 HydrophobicContact CD1-CE 3.94Å; I19-M38 HydrophobicContact CD1-CG 4.33Å; I34-M38 VanDerWaalsContact O-CB 3.3Å; I34-M38 WeakPolarHBondContact O-CB 3.4Å; I34-M38 WeakPolarHBondContact O-CG 3.48Å; I34-M38 PolarHBondContact O-N 3.16Å; R35-M38 CarbonylContact O-C 3.53Å; E36-M38 VanDerWaalsContact C-N 3.32Å; M38-E40 PolarHBondContact O-N 3.42Å; M38-A41 HydrophobicContact CB-CB 4.37Å; M38-A41 VanDerWaalsContact O-CB 3.29Å; M38-A41 WeakPolarHBondContact O-CB 3.5Å; M38-A41 PolarHBondContact O-N 3.08Å | ||
| 39 | P | 59.2 | Low | 66.6 | Low | 97 Ų | 97 | 67.5 Ų | 67.5 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16 | 177.6 | 24.1 | -34.2 | 0 | 0 | 0 | 114.3 | A41 H42 | P39-A41 PolarHBondContact O-N 3.19Å; P39-H42 PolarHBondContact O-ND1 3.42Å |
| 40 | E | 57.2 | Low | 66.4 | Low | 127 Ų | 127 | 64.7 Ų | 64.7 | 59% | 0.593 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.9 | 171.3 | -64.9 | 162.4 | 168.2 | 0 | 0 | 113.3 | R13 K17 M38 H42 | R13-E40 PolarHBondContact NH1-O 2.94Å; K17-E40 IonicContact NZ-OE2 2.69Å; K17-E40 PolarHBondContact NZ-OE2 3.5Å; M38-E40 PolarHBondContact O-N 3.42Å; E40-H42 PolarHBondContact O-N 3.35Å |
| 41 | A | 53 | Low | 66.5 | Low | 11 Ų | 11 | 64.7 Ų | 64.7 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | trans | -95.1 | 69.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | I10 M38 P39 L43 | I10-A41 HydrophobicContact CD1-CB 4.16Å; M38-A41 HydrophobicContact CB-CB 4.37Å; M38-A41 VanDerWaalsContact O-CB 3.29Å; M38-A41 WeakPolarHBondContact O-CB 3.5Å; M38-A41 PolarHBondContact O-N 3.08Å; P39-A41 PolarHBondContact O-N 3.19Å; A41-L43 HydrophobicContact CB-CD1 4.24Å; A41-L43 PolarHBondContact O-N 3.2Å | ||
| 42 | H | 52.3 | Low | 66.7 | Low | 174 Ų | 174 | 64.8 Ų | 64.8 | 81% | 0.806 | 33% | 0.325 | S | S | * | . | trans | -72.6 | 65 | 169.4 | -89.8 | 63.7 | 0 | 0 | 0 | 111.9 | P39 E40 | P39-H42 PolarHBondContact O-ND1 3.42Å; E40-H42 PolarHBondContact O-N 3.35Å | ||
| 43 | L | 54.1 | Low | 67 | Low | 24 Ų | 24 | 62.1 Ų | 62.1 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | trans | -116.9 | 96.8 | -171 | -74.9 | 167.1 | 0 | 0 | 0 | 111.4 | I10 R35 A41 Y49 | I10-L43 HydrophobicContact CG2-CD1 3.88Å; R35-L43 PolarHBondContact NH1-O 3.42Å; A41-L43 HydrophobicContact CB-CD1 4.24Å; A41-L43 PolarHBondContact O-N 3.2Å; L43-Y49 HydrophobicContact CB-CE1 4.06Å; L43-Y49 HydrophobicContact CB-CE2 4.09Å; L43-Y49 WeakPolarHBondContact CD2-OH 3.3Å; L43-Y49 VanDerWaalsContact O-CE2 3.27Å; L43-Y49 WeakPolarHBondContact O-CE2 3.43Å | ||
| 44 | G | 58.5 | Low | 66.5 | Low | 43 Ų | 43 | 61.8 Ų | 61.8 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 53.1 | -168.6 | 165 | 0 | 0 | 0 | 0 | 0 | 118.7 | R35 | R35-G44 VanDerWaalsContact CZ-O 3.29Å; R35-G44 PolarHBondContact NH1-O 3.4Å; R35-G44 PolarHBondContact NH2-O 2.94Å |
| 45 | L | 60.7 | Low | 66.3 | Low | 112 Ų | 112 | 66 Ų | 66 | 59% | 0.586 | 34% | 0.342 | S | S | * | . | trans | -73.9 | 147.7 | 171.8 | -74 | 158.2 | 0 | 0 | 0 | 109.1 | K47 D48 | L45-K47 PolarHBondContact O-N 3.09Å; L45-D48 WeakPolarHBondContact CB-OD2 3.42Å; L45-D48 PolarHBondContact N-OD2 3.01Å; L45-D48 WeakPolarHBondContact O-CB 3.48Å; L45-D48 PolarHBondContact O-N 3.33Å | ||
| 46 | P | 53.7 | Low | 66.2 | Low | 61 Ų | 61 | 71.5 Ų | 71.5 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -5.7 | 178.2 | 28 | -35.5 | 0 | 0 | 0 | 113.6 | ||
| 47 | K | 64.7 | Low | 65.4 | Low | 169 Ų | 169 | 68.6 Ų | 68.6 | 74% | 0.735 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -23.6 | 172.3 | -56.6 | -175.9 | -179.2 | -175.9 | 0 | 112.3 | L45 | L45-K47 PolarHBondContact O-N 3.09Š|
| 48 | D | 69.5 | Low | 64.8 | Low | 41 Ų | 41 | 67.9 Ų | 67.9 | 22% | 0.219 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -87.8 | -6.2 | -171.9 | -46.7 | -24.9 | 0 | 0 | 0 | 113.3 | L45 K85 K86 L87 | L45-D48 WeakPolarHBondContact CB-OD2 3.42Å; L45-D48 PolarHBondContact N-OD2 3.01Å; L45-D48 WeakPolarHBondContact O-CB 3.48Å; L45-D48 PolarHBondContact O-N 3.33Å; D48-K85 CarbonylContact O-C 3.55Å; D48-K85 WeakPolarHBondContact O-CA 3.4Å; D48-K85 WeakPolarHBondContact O-CG 3.31Å; D48-K86 PolarHBondContact O-N 3.48Å; D48-L87 HydrophobicContact CB-CD1 4.31Å |
| 49 | Y | 73.2 | Confident | 64.7 | Low | 12 Ų | 12 | 74.3 Ų | 74.3 | 5% | 0.047 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 153 | -175.5 | -69.5 | -97.4 | 0 | 0 | 0 | 111.3 | L43 Y83 K84 K85 K86 | L43-Y49 HydrophobicContact CB-CE1 4.06Å; L43-Y49 HydrophobicContact CB-CE2 4.09Å; L43-Y49 WeakPolarHBondContact CD2-OH 3.3Å; L43-Y49 VanDerWaalsContact O-CE2 3.27Å; L43-Y49 WeakPolarHBondContact O-CE2 3.43Å; Y49-Y83 WeakPolarHBondContact CB-OH 3.44Å; Y49-Y83 HydrophobicContact CD1-CD1 4.18Å; Y49-Y83 AromaticContact CD1-CE1 3.68Å; Y49-Y83 HydrophobicContact CD1-CE1 3.68Å; Y49-Y83 HydrophobicContact CE1-CE1 4.49Å; Y49-Y83 AromaticContact CG-CE1 3.9Å; Y49-Y83 HydrophobicContact CG-CE1 3.9Å; Y49-Y83 AromaticContact CG-CZ 3.97Å; Y49-K84 WeakPolarHBondContact CA-O 3.3Å; Y49-K85 HydrophobicContact CD1-CB 4.1Å; Y49-K85 HydrophobicContact CE1-CB 3.73Å; Y49-K85 HydrophobicContact CE1-CG 4.06Å; Y49-K85 HydrophobicContact CE2-CG 4.27Å; Y49-K86 VanDerWaalsContact O-CE 3.32Å; Y49-K86 WeakPolarHBondContact O-CE 3.28Å |
| 50 | G | 75.4 | Confident | 65.1 | Low | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 171.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K84 | G50-K84 PolarHBondContact N-O 3.43Å; G50-K84 PolarHBondContact O-N 2.73Å |
| 51 | L | 80.5 | Confident | 65.7 | Low | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.6 | 168.2 | -82.8 | 162.3 | 0 | 0 | 0 | 109.5 | V27 A30 I34 M64 L81 | V27-L51 HydrophobicContact CG1-CB 4.35Å; V27-L51 HydrophobicContact CG1-CD1 4.31Å; A30-L51 HydrophobicContact CB-CD1 3.74Å; I34-L51 HydrophobicContact CD1-CD1 3.91Å; I34-L51 HydrophobicContact CD1-CD2 3.5Å; I34-L51 HydrophobicContact CD1-CG 4Å; L51-M64 HydrophobicContact CB-CB 4.15Å; L51-M64 HydrophobicContact CB-CG 4.34Å; L51-M64 HydrophobicContact CB-SD 3.98Å; L51-M64 WeakPolarHBondContact O-CB 3.44Å; L51-M64 PolarHBondContact O-N 2.82Å; L51-L81 HydrophobicContact CD2-CB 3.8Å; L51-L81 HydrophobicContact CD2-CD1 4.17Å; L51-L81 HydrophobicContact CD2-CG 4.46Å |
| 52 | F | 79.7 | Confident | 66.6 | Low | 16 Ų | 16 | 72 Ų | 72 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126 | 176.8 | -177.4 | -102.2 | 0 | 0 | 0 | 109.1 | A54 G61 W63 E82 | F52-A54 HydrophobicContact CD1-CB 4.45Å; F52-A54 HydrophobicContact CE1-CB 4.44Å; F52-G61 VanDerWaalsContact CE2-C 3.49Å; F52-G61 WeakPolarHBondContact CE2-O 3.43Å; F52-W63 HydrophobicContact CB-CD2 4.39Å; F52-W63 HydrophobicContact CB-CE3 3.99Å; F52-W63 HydrophobicContact CB-CZ3 4.11Å; F52-W63 AromaticContact CD2-CD2 3.81Å; F52-W63 HydrophobicContact CD2-CD2 3.81Å; F52-W63 HydrophobicContact CD2-CE3 4.27Å; F52-W63 AromaticContact CD2-CG 3.92Å; F52-W63 HydrophobicContact CD2-CG 3.92Å; F52-E82 HydrophobicContact CB-CB 4.39Å; F52-E82 PolarHBondContact N-O 3.33Å; F52-E82 PolarHBondContact O-N 3.4Å |
| 53 | L | 81.1 | Confident | 67.9 | Low | 47 Ų | 47 | 64.8 Ų | 64.8 | 25% | 0.246 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 113.1 | 173.9 | -171 | 66.9 | 0 | 0 | 0 | 108.3 | G61 V62 M64 L81 | L53-G61 CarbonylContact O-C 3.08Å; L53-G61 WeakPolarHBondContact O-CA 3.32Å; L53-V62 PolarHBondContact N-O 2.98Å; L53-V62 PolarHBondContact O-N 2.88Å; L53-M64 HydrophobicContact CB-CE 4.19Å; L53-M64 HydrophobicContact CD1-CE 4.28Å; L53-L81 HydrophobicContact CB-CD2 4.35Å; L53-L81 HydrophobicContact CD1-CD2 3.65Å |
| 54 | A | 68.2 | Low | 69 | Low | 37 Ų | 37 | 63.9 Ų | 63.9 | 31% | 0.306 | 34% | 0.337 | S | S | . | . | trans | -89 | 127.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F52 E82 | F52-A54 HydrophobicContact CD1-CB 4.45Å; F52-A54 HydrophobicContact CE1-CB 4.44Å; A54-E82 HydrophobicContact CB-CG 4.23Å | ||
| 55 | D | 71.3 | Confident | 69.7 | Low | 89 Ų | 89 | 66.6 Ų | 66.6 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | trans | -108.7 | 163.9 | 169 | -165.2 | -9.3 | 0 | 0 | 0 | 108.7 | D57 K60 | D55-D57 PolarHBondContact O-N 3.08Å; D55-K60 HydrophobicContact CB-CB 4Å; D55-K60 VanDerWaalsContact OD2-CB 3.28Å; D55-K60 WeakPolarHBondContact OD2-CB 3.47Å; D55-K60 VanDerWaalsContact OD2-CD 3.27Å; D55-K60 WeakPolarHBondContact OD2-CD 3.39Å | ||
| 56 | E | 68.7 | Low | 70.3 | Confident | 199 Ų | 199 | 63.8 Ų | 63.8 | 93% | 0.93 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -66.6 | -26.6 | 177.8 | -69.2 | -161.9 | 157.1 | 0 | 0 | 112.6 | ||
| 57 | D | 56 | Low | 71.2 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 34% | 0.342 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -95.2 | 113.4 | 173.6 | -171.7 | -8.6 | 0 | 0 | 0 | 109.8 | D55 K59 K60 | D55-D57 PolarHBondContact O-N 3.08Å; D57-K59 PolarHBondContact O-N 3.04Å; D57-K59 PolarHBondContact OD1-N 2.79Å; D57-K60 HydrophobicContact CB-CD 4.08Å; D57-K60 HydrophobicContact CB-CG 4.18Å; D57-K60 PolarHBondContact O-N 3.29Å |
| 58 | P | 58.7 | Low | 71.9 | Confident | 100 Ų | 100 | 58.6 Ų | 58.6 | 65% | 0.649 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -12.8 | -174.4 | 25.2 | -34.7 | 0 | 0 | 0 | 114 | K60 | P58-K60 VanDerWaalsContact C-N 3.34Š|
| 59 | K | 61.9 | Low | 72.5 | Confident | 138 Ų | 138 | 59 Ų | 59 | 60% | 0.6 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -13.5 | 172.8 | -63.7 | 178.7 | 179.4 | 178.7 | 0 | 113.9 | D57 | D57-K59 PolarHBondContact O-N 3.04Å; D57-K59 PolarHBondContact OD1-N 2.79Å |
| 60 | K | 68.6 | Low | 72.9 | Confident | 127 Ų | 127 | 58.4 Ų | 58.4 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -9.1 | -175.8 | -65.5 | -177.2 | -174.1 | 170.7 | 0 | 114.9 | D55 D57 P58 | D55-K60 HydrophobicContact CB-CB 4Å; D55-K60 VanDerWaalsContact OD2-CB 3.28Å; D55-K60 WeakPolarHBondContact OD2-CB 3.47Å; D55-K60 VanDerWaalsContact OD2-CD 3.27Å; D55-K60 WeakPolarHBondContact OD2-CD 3.39Å; D57-K60 HydrophobicContact CB-CD 4.08Å; D57-K60 HydrophobicContact CB-CG 4.18Å; D57-K60 PolarHBondContact O-N 3.29Å; P58-K60 VanDerWaalsContact C-N 3.34Å |
| 61 | G | 68.9 | Low | 73.2 | Confident | 5 Ų | 5 | 64 Ų | 64 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | trans | -70.7 | 134 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F52 L53 | F52-G61 VanDerWaalsContact CE2-C 3.49Å; F52-G61 WeakPolarHBondContact CE2-O 3.43Å; L53-G61 CarbonylContact O-C 3.08Å; L53-G61 WeakPolarHBondContact O-CA 3.32Å | ||
| 62 | V | 73.6 | Confident | 73.2 | Confident | 53 Ų | 53 | 70.6 Ų | 70.6 | 32% | 0.321 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.9 | -170.8 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | L53 Y73 | L53-V62 PolarHBondContact N-O 2.98Å; L53-V62 PolarHBondContact O-N 2.88Å; V62-Y73 HydrophobicContact CG1-CE1 4.17Å |
| 63 | W | 78.2 | Confident | 73.1 | Confident | 24 Ų | 24 | 71.6 Ų | 71.6 | 9% | 0.091 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 128.1 | 167.3 | -77.5 | 108.6 | 0 | 0 | 0 | 110.4 | F52 K84 K86 D106 | F52-W63 HydrophobicContact CB-CD2 4.39Å; F52-W63 HydrophobicContact CB-CE3 3.99Å; F52-W63 HydrophobicContact CB-CZ3 4.11Å; F52-W63 AromaticContact CD2-CD2 3.81Å; F52-W63 HydrophobicContact CD2-CD2 3.81Å; F52-W63 HydrophobicContact CD2-CE3 4.27Å; F52-W63 AromaticContact CD2-CG 3.92Å; F52-W63 HydrophobicContact CD2-CG 3.92Å; W63-K84 HydrophobicContact CH2-CB 3.94Å; W63-K84 HydrophobicContact CH2-CG 4.34Å; W63-K84 HydrophobicContact CZ3-CB 4.34Å; W63-K86 HydrophobicContact CH2-CG 4.19Å; W63-K86 HydrophobicContact CZ3-CG 4.07Å; W63-D106 PolarHBondContact NE1-O 3.44Å |
| 64 | M | 77.7 | Confident | 72.9 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.02 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 127 | 177.3 | -66.1 | -173.2 | 164.9 | 0 | 0 | 111.3 | V27 L51 L53 N66 L70 Y73 V75 L81 | V27-M64 HydrophobicContact CB-CB 4.34Å; V27-M64 HydrophobicContact CG1-CB 3.59Å; V27-M64 HydrophobicContact CG2-CB 3.78Å; V27-M64 HydrophobicContact CG2-CG 4.47Å; V27-M64 HydrophobicContact CG2-SD 4.12Å; L51-M64 HydrophobicContact CB-CB 4.15Å; L51-M64 HydrophobicContact CB-CG 4.34Å; L51-M64 HydrophobicContact CB-SD 3.98Å; L51-M64 WeakPolarHBondContact O-CB 3.44Å; L51-M64 PolarHBondContact O-N 2.82Å; L53-M64 HydrophobicContact CB-CE 4.19Å; L53-M64 HydrophobicContact CD1-CE 4.28Å; M64-N66 PolarHBondContact O-N 3.22Å; M64-L70 HydrophobicContact SD-CD2 4.14Å; M64-Y73 HydrophobicContact CB-CD2 4.33Å; M64-Y73 HydrophobicContact CB-CE2 3.9Å; M64-Y73 HydrophobicContact CE-CD2 4.13Å; M64-Y73 HydrophobicContact CE-CG 3.89Å; M64-Y73 HydrophobicContact CG-CD1 4.41Å; M64-Y73 HydrophobicContact CG-CD2 3.92Å; M64-Y73 HydrophobicContact CG-CE1 4.44Å; M64-Y73 HydrophobicContact CG-CE2 3.95Å; M64-Y73 HydrophobicContact CG-CG 4.17Å; M64-Y73 HydrophobicContact SD-CD2 4.18Å; M64-Y73 HydrophobicContact SD-CG 4.5Å; M64-V75 HydrophobicContact CE-CG2 3.61Å; M64-L81 HydrophobicContact CE-CD2 3.42Å; M64-L81 VanDerWaalsContact CE-CD2 3.42Å; M64-L81 HydrophobicContact SD-CD2 3.94Å |
| 65 | E | 72.4 | Confident | 73.2 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 125.9 | 176.1 | -74.2 | 172.7 | -129.3 | 0 | 0 | 110.7 | V27 G67 K68 Y73 | V27-E65 WeakPolarHBondContact CB-O 3.28Å; E65-G67 PolarHBondContact O-N 3.15Å; E65-K68 HydrophobicContact CB-CB 4.47Å; E65-K68 HydrophobicContact CB-CD 4.17Å; E65-K68 HydrophobicContact CB-CG 4.19Å; E65-K68 PolarHBondContact O-N 3.1Å; E65-K68 WeakPolarHBondContact OE1-CE 3.49Å; E65-K68 IonicContact OE1-NZ 2.98Å; E65-K68 PolarHBondContact OE1-NZ 3Å; E65-K68 WeakPolarHBondContact OE2-CD 3.39Å; E65-K68 WeakPolarHBondContact OE2-CE 3.34Å; E65-K68 IonicContact OE2-NZ 3.39Å; E65-K68 PolarHBondContact OE2-NZ 3.36Å; E65-K68 VanDerWaalsContact OE2-NZ 3.1Å; E65-Y73 WeakPolarHBondContact CB-OH 3.43Å; E65-Y73 PolarHBondContact N-OH 3.47Å |
| 66 | N | 74 | Confident | 73.6 | Confident | 52 Ų | 52 | 79.7 Ų | 79.7 | 28% | 0.278 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -24.3 | -179.8 | -75 | 19.1 | 0 | 0 | 0 | 114.4 | I26 Y28 M64 K86 | I26-N66 WeakPolarHBondContact CG2-O 3.49Å; Y28-N66 VanDerWaalsContact CB-O 3.24Å; Y28-N66 WeakPolarHBondContact CB-O 3.38Å; Y28-N66 PolarHBondContact N-O 2.91Å; Y28-N66 VanDerWaalsContact N-O 3.17Å; M64-N66 PolarHBondContact O-N 3.22Å; N66-K86 PolarHBondContact OD1-NZ 3.4Å; N66-K86 VanDerWaalsContact OD1-NZ 3.17Å |
| 67 | G | 73.7 | Confident | 74.2 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 73% | 0.732 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -4.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | E65 | E65-G67 PolarHBondContact O-N 3.15Š|
| 68 | K | 77.8 | Confident | 75.2 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 22% | 0.222 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -101.9 | 157.2 | -177.9 | -66.7 | -177.4 | 174.9 | 164.9 | 0 | 111.2 | V27 E65 Y72 Y73 | V27-K68 VanDerWaalsContact CG2-O 3.27Å; V27-K68 WeakPolarHBondContact CG2-O 3.29Å; V27-K68 PolarHBondContact N-O 2.83Å; E65-K68 HydrophobicContact CB-CB 4.47Å; E65-K68 HydrophobicContact CB-CD 4.17Å; E65-K68 HydrophobicContact CB-CG 4.19Å; E65-K68 PolarHBondContact O-N 3.1Å; E65-K68 WeakPolarHBondContact OE1-CE 3.49Å; E65-K68 IonicContact OE1-NZ 2.98Å; E65-K68 PolarHBondContact OE1-NZ 3Å; E65-K68 WeakPolarHBondContact OE2-CD 3.39Å; E65-K68 WeakPolarHBondContact OE2-CE 3.34Å; E65-K68 IonicContact OE2-NZ 3.39Å; E65-K68 PolarHBondContact OE2-NZ 3.36Å; E65-K68 VanDerWaalsContact OE2-NZ 3.1Å; K68-Y72 HydrophobicContact CB-CD1 4.31Å; K68-Y72 HydrophobicContact CB-CG 4.16Å; K68-Y72 HydrophobicContact CD-CD1 3.62Å; K68-Y72 HydrophobicContact CD-CD2 3.94Å; K68-Y72 HydrophobicContact CD-CE1 3.52Å; K68-Y72 HydrophobicContact CD-CE2 3.82Å; K68-Y72 HydrophobicContact CD-CG 3.85Å; K68-Y72 HydrophobicContact CG-CD1 4.5Å; K68-Y72 HydrophobicContact CG-CG 4.39Å; K68-Y72 PolarHBondContact NZ-OH 2.85Å; K68-Y73 HydrophobicContact CB-CE2 4.04Å |
| 69 | T | 83.4 | Confident | 76.2 | Confident | 48 Ų | 48 | 70.4 Ų | 70.4 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -80 | 158.5 | 176.5 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | T25 E71 Y72 | T25-T69 WeakPolarHBondContact O-CA 3.44Å; T69-E71 PolarHBondContact O-N 2.93Å; T69-Y72 WeakPolarHBondContact O-CB 3.11Å; T69-Y72 PolarHBondContact O-N 3.03Å; T69-Y72 VanDerWaalsContact O-N 3.12Å; T69-Y72 PolarHBondContact OG1-N 3.46Å |
| 70 | L | 80.6 | Confident | 77 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -58.2 | -32.7 | 170.9 | -70 | 172.5 | 0 | 0 | 0 | 111.7 | L6 F21 T25 V27 A30 M64 Y72 Y73 L81 | L6-L70 HydrophobicContact CD1-CD1 4.09Å; L6-L70 HydrophobicContact CD1-CD2 4.49Å; F21-L70 HydrophobicContact CB-CD1 3.64Å; F21-L70 HydrophobicContact CD1-CD1 4.27Å; F21-L70 HydrophobicContact CD2-CD1 4.39Å; F21-L70 HydrophobicContact CG-CD1 3.87Å; T25-L70 PolarHBondContact O-N 2.96Å; V27-L70 HydrophobicContact CG2-CD2 4.47Å; A30-L70 HydrophobicContact CB-CD1 4.15Å; A30-L70 HydrophobicContact CB-CD2 4.31Å; A30-L70 HydrophobicContact CB-CG 4.36Å; M64-L70 HydrophobicContact SD-CD2 4.14Å; L70-Y72 VanDerWaalsContact C-N 3.32Å; L70-Y72 PolarHBondContact O-N 3.49Å; L70-Y73 PolarHBondContact O-N 3.11Å; L70-L81 HydrophobicContact CD2-CD1 4.37Å |
| 71 | E | 81.6 | Confident | 77.5 | Confident | 119 Ų | 119 | 60 Ų | 60 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -59.6 | -34.8 | 174 | -172.7 | 169 | -153.9 | 0 | 0 | 113.9 | P23 T69 Y73 L74 | P23-E71 PolarHBondContact O-N 3.4Å; T69-E71 PolarHBondContact O-N 2.93Å; E71-Y73 PolarHBondContact O-N 3.48Å; E71-L74 PolarHBondContact O-N 3.14Å |
| 72 | Y | 81.8 | Confident | 78 | Confident | 137 Ų | 137 | 60.8 Ų | 60.8 | 54% | 0.537 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -59.1 | -31.2 | 177 | 178.2 | -84 | 0 | 0 | 0 | 112.7 | K68 T69 L70 | K68-Y72 HydrophobicContact CB-CD1 4.31Å; K68-Y72 HydrophobicContact CB-CG 4.16Å; K68-Y72 HydrophobicContact CD-CD1 3.62Å; K68-Y72 HydrophobicContact CD-CD2 3.94Å; K68-Y72 HydrophobicContact CD-CE1 3.52Å; K68-Y72 HydrophobicContact CD-CE2 3.82Å; K68-Y72 HydrophobicContact CD-CG 3.85Å; K68-Y72 HydrophobicContact CG-CD1 4.5Å; K68-Y72 HydrophobicContact CG-CG 4.39Å; K68-Y72 PolarHBondContact NZ-OH 2.85Å; T69-Y72 WeakPolarHBondContact O-CB 3.11Å; T69-Y72 PolarHBondContact O-N 3.03Å; T69-Y72 VanDerWaalsContact O-N 3.12Å; T69-Y72 PolarHBondContact OG1-N 3.46Å; L70-Y72 VanDerWaalsContact C-N 3.32Å; L70-Y72 PolarHBondContact O-N 3.49Å |
| 73 | Y | 76.2 | Confident | 78.4 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -93.5 | 9.3 | -179.7 | -67.2 | -78.8 | 0 | 0 | 0 | 113.6 | V27 V62 M64 E65 K68 L70 E71 V75 | V27-Y73 HydrophobicContact CG2-CD2 4.42Å; V27-Y73 HydrophobicContact CG2-CE2 4.21Å; V62-Y73 HydrophobicContact CG1-CE1 4.17Å; M64-Y73 HydrophobicContact CB-CD2 4.33Å; M64-Y73 HydrophobicContact CB-CE2 3.9Å; M64-Y73 HydrophobicContact CE-CD2 4.13Å; M64-Y73 HydrophobicContact CE-CG 3.89Å; M64-Y73 HydrophobicContact CG-CD1 4.41Å; M64-Y73 HydrophobicContact CG-CD2 3.92Å; M64-Y73 HydrophobicContact CG-CE1 4.44Å; M64-Y73 HydrophobicContact CG-CE2 3.95Å; M64-Y73 HydrophobicContact CG-CG 4.17Å; M64-Y73 HydrophobicContact SD-CD2 4.18Å; M64-Y73 HydrophobicContact SD-CG 4.5Å; E65-Y73 WeakPolarHBondContact CB-OH 3.43Å; E65-Y73 PolarHBondContact N-OH 3.47Å; K68-Y73 HydrophobicContact CB-CE2 4.04Å; L70-Y73 PolarHBondContact O-N 3.11Å; E71-Y73 PolarHBondContact O-N 3.48Å; Y73-V75 PolarHBondContact O-N 2.84Å; Y73-V75 VanDerWaalsContact O-N 3.11Å |
| 74 | L | 78.3 | Confident | 78.2 | Confident | 146 Ų | 146 | 60.2 Ų | 60.2 | 76% | 0.764 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 26.4 | 176.7 | -64.2 | 170 | 0 | 0 | 0 | 115.1 | E71 | E71-L74 PolarHBondContact O-N 3.14Š|
| 75 | V | 74.5 | Confident | 78.1 | Confident | 11 Ų | 11 | 64.3 Ų | 64.3 | 7% | 0.067 | 33% | 0.332 | C | S | . | . | trans | -66.3 | 134.6 | -174.9 | -160 | 0 | 0 | 0 | 0 | 111.3 | L4 L6 M64 Y73 D79 | L4-V75 VanDerWaalsContact CD2-O 3.3Å; L4-V75 WeakPolarHBondContact CD2-O 3.46Å; L6-V75 HydrophobicContact CD1-CG1 4.02Å; L6-V75 HydrophobicContact CD2-CB 4.48Å; L6-V75 HydrophobicContact CD2-CG1 3.57Å; L6-V75 HydrophobicContact CG-CG1 4.44Å; M64-V75 HydrophobicContact CE-CG2 3.61Å; Y73-V75 PolarHBondContact O-N 2.84Å; Y73-V75 VanDerWaalsContact O-N 3.11Å; V75-D79 HydrophobicContact CG1-CB 3.79Å | ||
| 76 | R | 79.3 | Confident | 78.3 | Confident | 186 Ų | 186 | 60.3 Ų | 60.3 | 70% | 0.702 | 31% | 0.313 | S | S | * | . | trans | -108 | 154.5 | -176.6 | -56.4 | -179.8 | -178.4 | -175.7 | 0.4 | 111.8 | L6 G78 D79 | L6-R76 WeakPolarHBondContact CD2-O 3.28Å; R76-G78 PolarHBondContact O-N 3.45Å; R76-G78 VanDerWaalsContact O-N 3.16Å; R76-D79 PolarHBondContact N-OD2 3.38Å; R76-D79 WeakPolarHBondContact O-CB 3.05Å; R76-D79 VanDerWaalsContact O-CG 3.28Å; R76-D79 PolarHBondContact O-N 3.17Å; R76-D79 VanDerWaalsContact O-N 3.1Å | ||
| 77 | S | 80.4 | Confident | 78.3 | Confident | 73 Ų | 73 | 61 Ų | 61 | 51% | 0.51 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 119.9 | 173.7 | -89.9 | 0 | 0 | 0 | 0 | 110.4 | V3 L4 S5 | V3-S77 PolarHBondContact O-OG 2.69Å; L4-S77 WeakPolarHBondContact CA-OG 3.07Å; L4-S77 VanDerWaalsContact CD2-N 3.33Å; S5-S77 PolarHBondContact N-OG 2.97Å |
| 78 | G | 77.6 | Confident | 78.4 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 112.1 | -18.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S5 K7 R76 | S5-G78 PolarHBondContact O-N 2.95Å; K7-G78 WeakPolarHBondContact CD-O 3.22Å; R76-G78 PolarHBondContact O-N 3.45Å; R76-G78 VanDerWaalsContact O-N 3.16Å |
| 79 | D | 79 | Confident | 78.5 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 32% | 0.321 | 29% | 0.289 | S | S | . | . | trans | -65.7 | 153.7 | -176 | -68.6 | -5.6 | 0 | 0 | 0 | 112.9 | K7 V75 R76 | K7-D79 PolarHBondContact N-O 3.42Å; V75-D79 HydrophobicContact CG1-CB 3.79Å; R76-D79 PolarHBondContact N-OD2 3.38Å; R76-D79 WeakPolarHBondContact O-CB 3.05Å; R76-D79 VanDerWaalsContact O-CG 3.28Å; R76-D79 PolarHBondContact O-N 3.17Å; R76-D79 VanDerWaalsContact O-N 3.1Å | ||
| 80 | L | 79 | Confident | 78.3 | Confident | 47 Ų | 47 | 56 Ų | 56 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 116 | -176.5 | -175.8 | 73.8 | 0 | 0 | 0 | 111.1 | K7 R9 L16 | K7-L80 HydrophobicContact CB-CD1 4.26Å; K7-L80 WeakPolarHBondContact O-CA 3.4Å; R9-L80 HydrophobicContact CB-CD1 4.13Å; L16-L80 HydrophobicContact CD1-CD1 3.41Å; L16-L80 VanDerWaalsContact CD1-CD1 3.41Å |
| 81 | L | 80.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.1 | 171.5 | -70.8 | 174.9 | 0 | 0 | 0 | 110.2 | L6 K7 V8 R9 L51 L53 M64 L70 | L6-L81 HydrophobicContact CB-CD1 4.35Å; L6-L81 HydrophobicContact CD1-CD1 3.64Å; K7-L81 PolarHBondContact O-N 3.15Å; V8-L81 CarbonylContact C-O 3.57Å; V8-L81 VanDerWaalsContact CA-O 3.29Å; V8-L81 WeakPolarHBondContact CA-O 3.41Å; R9-L81 PolarHBondContact N-O 2.93Å; L51-L81 HydrophobicContact CD2-CB 3.8Å; L51-L81 HydrophobicContact CD2-CD1 4.17Å; L51-L81 HydrophobicContact CD2-CG 4.46Å; L53-L81 HydrophobicContact CB-CD2 4.35Å; L53-L81 HydrophobicContact CD1-CD2 3.65Å; M64-L81 HydrophobicContact CE-CD2 3.42Å; M64-L81 VanDerWaalsContact CE-CD2 3.42Å; M64-L81 HydrophobicContact SD-CD2 3.94Å; L70-L81 HydrophobicContact CD2-CD1 4.37Å |
| 82 | E | 79.4 | Confident | 78.2 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121.4 | 172.3 | -57.9 | -154.9 | 148.7 | 0 | 0 | 110.4 | R9 F52 A54 K84 | R9-E82 HydrophobicContact CB-CG 4.41Å; R9-E82 WeakPolarHBondContact CD-OE1 3.36Å; R9-E82 IonicContact CZ-OE1 3.57Å; R9-E82 IonicContact NE-OE1 3.6Å; R9-E82 IonicContact NH1-OE1 2.72Å; R9-E82 PolarHBondContact NH1-OE1 3.1Å; R9-E82 CarbonylContact O-C 3.52Å; R9-E82 WeakPolarHBondContact O-CA 3.37Å; F52-E82 HydrophobicContact CB-CB 4.39Å; F52-E82 PolarHBondContact N-O 3.33Å; F52-E82 PolarHBondContact O-N 3.4Å; A54-E82 HydrophobicContact CB-CG 4.23Å; E82-K84 IonicContact OE2-NZ 3.37Å; E82-K84 PolarHBondContact OE2-NZ 2.91Å |
| 83 | Y | 81.6 | Confident | 78.1 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 107.1 | 167.2 | -175.7 | -97 | 0 | 0 | 0 | 107.9 | R9 A11 C31 I34 Y49 | R9-Y83 PolarHBondContact O-N 3.33Å; A11-Y83 PolarHBondContact N-O 3.14Å; C31-Y83 HydrophobicContact CB-CE2 4.11Å; I34-Y83 HydrophobicContact CB-CD2 4.47Å; I34-Y83 HydrophobicContact CD1-CD2 4.23Å; I34-Y83 HydrophobicContact CG2-CD2 4Å; I34-Y83 HydrophobicContact CG2-CE2 4.46Å; I34-Y83 HydrophobicContact CG2-CG 4.02Å; Y49-Y83 WeakPolarHBondContact CB-OH 3.44Å; Y49-Y83 HydrophobicContact CD1-CD1 4.18Å; Y49-Y83 AromaticContact CD1-CE1 3.68Å; Y49-Y83 HydrophobicContact CD1-CE1 3.68Å; Y49-Y83 HydrophobicContact CE1-CE1 4.49Å; Y49-Y83 AromaticContact CG-CE1 3.9Å; Y49-Y83 HydrophobicContact CG-CE1 3.9Å; Y49-Y83 AromaticContact CG-CZ 3.97Å |
| 84 | K | 74.4 | Confident | 78.1 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 25% | 0.248 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.2 | -163.9 | -162 | 165.2 | -168.4 | 168.4 | 0 | 111.2 | A11 Y49 G50 W63 E82 | A11-K84 HydrophobicContact CB-CB 4.2Å; A11-K84 HydrophobicContact CB-CD 3.9Å; A11-K84 HydrophobicContact CB-CG 3.79Å; Y49-K84 WeakPolarHBondContact CA-O 3.3Å; G50-K84 PolarHBondContact N-O 3.43Å; G50-K84 PolarHBondContact O-N 2.73Å; W63-K84 HydrophobicContact CH2-CB 3.94Å; W63-K84 HydrophobicContact CH2-CG 4.34Å; W63-K84 HydrophobicContact CZ3-CB 4.34Å; E82-K84 IonicContact OE2-NZ 3.37Å; E82-K84 PolarHBondContact OE2-NZ 2.91Å |
| 85 | K | 75.8 | Confident | 77.5 | Confident | 90 Ų | 90 | 44.5 Ų | 44.5 | 39% | 0.391 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 132.5 | 179.7 | -160.8 | 178.8 | -177.8 | -176.6 | 0 | 109.9 | D48 Y49 | D48-K85 CarbonylContact O-C 3.55Å; D48-K85 WeakPolarHBondContact O-CA 3.4Å; D48-K85 WeakPolarHBondContact O-CG 3.31Å; Y49-K85 HydrophobicContact CD1-CB 4.1Å; Y49-K85 HydrophobicContact CE1-CB 3.73Å; Y49-K85 HydrophobicContact CE1-CG 4.06Å; Y49-K85 HydrophobicContact CE2-CG 4.27Å |
| 86 | K | 74.8 | Confident | 77.1 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 8% | 0.078 | 24% | 0.238 | C | C | . | . | trans | -76.7 | -24 | -179.2 | -66.8 | -176.8 | 173.1 | -165.3 | 0 | 113.4 | D48 Y49 W63 N66 D106 | D48-K86 PolarHBondContact O-N 3.48Å; Y49-K86 VanDerWaalsContact O-CE 3.32Å; Y49-K86 WeakPolarHBondContact O-CE 3.28Å; W63-K86 HydrophobicContact CH2-CG 4.19Å; W63-K86 HydrophobicContact CZ3-CG 4.07Å; N66-K86 PolarHBondContact OD1-NZ 3.4Å; N66-K86 VanDerWaalsContact OD1-NZ 3.17Å; K86-D106 WeakPolarHBondContact O-CB 3.42Å; K86-D106 PolarHBondContact O-N 3.02Å | ||
| 87 | L | 74.6 | Confident | 76.4 | Confident | 65 Ų | 65 | 41.4 Ų | 41.4 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 119.9 | -175 | -69.3 | 170 | 0 | 0 | 0 | 112 | D48 M103 | D48-L87 HydrophobicContact CB-CD1 4.31Å; L87-M103 HydrophobicContact CB-CE 3.88Å; L87-M103 HydrophobicContact CD1-CE 4.45Å |
| 88 | R | 76.5 | Confident | 76 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 148.3 | -178.6 | 151.5 | -178.8 | -177 | 163.7 | 8.1 | 110.6 | M103 V104 D106 L201 V206 D207 E208 | R88-M103 WeakPolarHBondContact O-CA 3.36Å; R88-V104 PolarHBondContact N-O 2.6Å; R88-V104 PolarHBondContact O-N 2.69Å; R88-D106 HydrophobicContact CB-CB 4.04Å; R88-D106 WeakPolarHBondContact CD-OD1 3.32Å; R88-D106 IonicContact CZ-OD1 2.75Å; R88-D106 IonicContact NE-OD1 2.93Å; R88-D106 IonicContact NH1-OD1 3.85Å; R88-D106 PolarHBondContact NH1-OD1 3.24Å; R88-L201 VanDerWaalsContact NH1-CB 3.3Å; R88-V206 PolarHBondContact NH1-O 2.75Å; R88-V206 VanDerWaalsContact NH1-O 3.12Å; R88-V206 PolarHBondContact NH2-O 3.28Å; R88-D207 VanDerWaalsContact NH2-C 3.27Å; R88-D207 PolarHBondContact NH2-O 2.85Å; R88-E208 HydrophobicContact CG-CG 4.27Å |
| 89 | T | 79.2 | Confident | 75.7 | Confident | 58 Ų | 58 | 42.8 Ų | 42.8 | 36% | 0.356 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.5 | 165 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | T101 M103 | T89-T101 HydrophobicContact CG2-CG2 4.3Å; T89-M103 HydrophobicContact CG2-SD 3.64Å |
| 90 | L | 80.2 | Confident | 75.4 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.7 | 171.4 | -176 | 70.1 | 0 | 0 | 0 | 109.3 | V92 T101 L102 V104 I117 L131 L201 V212 | L90-V92 HydrophobicContact CD2-CG2 3.94Å; L90-V92 HydrophobicContact CG-CG2 4.09Å; L90-T101 WeakPolarHBondContact O-CA 3.27Å; L90-L102 PolarHBondContact N-O 2.89Å; L90-L102 PolarHBondContact O-N 2.95Å; L90-V104 HydrophobicContact CB-CG2 3.43Å; L90-V104 VanDerWaalsContact CB-CG2 3.43Å; L90-V104 HydrophobicContact CD2-CG2 4.11Å; L90-V104 HydrophobicContact CG-CG2 4.42Å; L90-I117 HydrophobicContact CD2-CD1 3.86Å; L90-L131 HydrophobicContact CD2-CD1 3.85Å; L90-L201 HydrophobicContact CD1-CD1 4.21Å; L90-L201 HydrophobicContact CD2-CD1 4.08Å; L90-V212 HydrophobicContact CD1-CG2 3.71Å; L90-V212 HydrophobicContact CD2-CG2 3.97Å; L90-V212 HydrophobicContact CG-CG2 3.8Å |
| 91 | K | 81.4 | Confident | 75.4 | Confident | 81 Ų | 81 | 45.7 Ų | 45.7 | 35% | 0.352 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 109.8 | 175 | -64.5 | 177.2 | -175.7 | 167.4 | 0 | 109.2 | V99 T101 T211 V212 | K91-V99 HydrophobicContact CB-CG1 3.94Å; K91-T101 HydrophobicContact CG-CG2 4.33Å; K91-T211 HydrophobicContact CB-CG2 3.54Å; K91-T211 HydrophobicContact CD-CG2 4.22Å; K91-T211 WeakPolarHBondContact O-CA 3.48Å; K91-V212 WeakPolarHBondContact O-CG2 3.48Å; K91-V212 PolarHBondContact O-N 3.16Å |
| 92 | V | 78.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115.9 | 177.7 | -170.8 | 0 | 0 | 0 | 0 | 109.3 | L90 M94 K100 L102 L131 V212 L214 | L90-V92 HydrophobicContact CD2-CG2 3.94Å; L90-V92 HydrophobicContact CG-CG2 4.09Å; V92-M94 HydrophobicContact CB-CE 3.93Å; V92-M94 HydrophobicContact CG1-CE 3.59Å; V92-M94 VanDerWaalsContact O-CE 3.31Å; V92-M94 WeakPolarHBondContact O-CE 3.46Å; V92-K100 PolarHBondContact N-O 3.12Å; V92-K100 PolarHBondContact O-N 3.09Å; V92-L102 HydrophobicContact CG2-CD1 4Å; V92-L131 HydrophobicContact CG1-CD2 3.73Å; V92-L131 HydrophobicContact CG2-CD2 4.17Å; V92-V212 CarbonylContact C-O 3.56Å; V92-V212 VanDerWaalsContact CA-O 3.29Å; V92-V212 WeakPolarHBondContact CA-O 3.43Å; V92-V212 HydrophobicContact CG2-CG2 4.12Å; V92-L214 HydrophobicContact CG1-CB 3.85Å |
| 93 | R | 79.3 | Confident | 75.1 | Confident | 80 Ų | 80 | 49.5 Ų | 49.5 | 30% | 0.302 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 129.1 | 172.4 | -169 | -179 | -60 | -168.7 | 3.2 | 109.3 | T98 V99 E134 V212 L213 L214 | R93-T98 WeakPolarHBondContact CA-O 3.42Å; R93-V99 HydrophobicContact CB-CG2 4.2Å; R93-V99 HydrophobicContact CG-CG2 4.03Å; R93-E134 IonicContact CZ-OE1 3.71Å; R93-E134 IonicContact CZ-OE2 2.71Å; R93-E134 IonicContact NE-OE1 2.87Å; R93-E134 PolarHBondContact NE-OE1 3.34Å; R93-E134 IonicContact NE-OE2 2.8Å; R93-E134 PolarHBondContact NE-OE2 3.02Å; R93-E134 IonicContact NH1-OE1 3.21Å; R93-E134 PolarHBondContact NH1-OE1 3.49Å; R93-E134 IonicContact NH1-OE2 3.02Å; R93-E134 PolarHBondContact NH1-OE2 3.13Å; R93-E134 IonicContact NH2-OE1 3.39Å; R93-E134 IonicContact NH2-OE2 2.66Å; R93-E134 PolarHBondContact NH2-OE2 3.32Å; R93-V212 PolarHBondContact N-O 3.28Å; R93-L213 HydrophobicContact CB-CD1 4.13Å; R93-L213 HydrophobicContact CG-CD1 4.14Å; R93-L213 WeakPolarHBondContact O-CA 3.46Å; R93-L214 PolarHBondContact O-N 3.26Å |
| 94 | M | 75.2 | Confident | 74.8 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.059 | 26% | 0.261 | C | S | . | . | trans | -82.8 | 161 | 169 | -52 | -58.5 | 110.3 | 0 | 0 | 109.5 | V92 D96 G97 T98 K100 I121 L214 | V92-M94 HydrophobicContact CB-CE 3.93Å; V92-M94 HydrophobicContact CG1-CE 3.59Å; V92-M94 VanDerWaalsContact O-CE 3.31Å; V92-M94 WeakPolarHBondContact O-CE 3.46Å; M94-D96 VanDerWaalsContact CB-OD1 3.31Å; M94-D96 WeakPolarHBondContact CB-OD1 3.21Å; M94-D96 PolarHBondContact O-N 2.94Å; M94-G97 PolarHBondContact O-N 3.06Å; M94-T98 VanDerWaalsContact CG-OG1 3.28Å; M94-T98 WeakPolarHBondContact CG-OG1 3.44Å; M94-T98 PolarHBondContact N-O 3.15Å; M94-K100 HydrophobicContact CE-CB 4.1Å; M94-K100 HydrophobicContact CE-CD 4.13Å; M94-K100 HydrophobicContact CE-CG 4.19Å; M94-K100 HydrophobicContact SD-CD 4.42Å; M94-I121 HydrophobicContact CE-CD1 3.66Å; M94-I121 HydrophobicContact CE-CG1 4.3Å; M94-I121 HydrophobicContact SD-CD1 3.97Å; M94-I121 HydrophobicContact SD-CG1 4.39Å; M94-I121 HydrophobicContact SD-CG2 3.92Å; M94-L214 HydrophobicContact SD-CD2 4.42Å | ||
| 95 | L | 66.9 | Low | 74.9 | Confident | 27 Ų | 27 | 48.6 Ų | 48.6 | 14% | 0.141 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.1 | 178.9 | -67 | 162.7 | 0 | 0 | 0 | 114.3 | G97 L213 R215 L235 V238 Q239 | L95-G97 PolarHBondContact O-N 3.32Å; L95-L213 HydrophobicContact CD2-CD1 4.3Å; L95-L213 HydrophobicContact CD2-CD2 4.14Å; L95-L213 HydrophobicContact CD2-CG 4.41Å; L95-R215 HydrophobicContact CD1-CG 4.22Å; L95-R215 HydrophobicContact CD2-CG 3.74Å; L95-R215 HydrophobicContact CG-CG 4.32Å; L95-L235 HydrophobicContact CB-CD2 3.78Å; L95-L235 HydrophobicContact CD1-CD2 4.4Å; L95-L235 HydrophobicContact CG-CD2 4.49Å; L95-V238 HydrophobicContact CB-CG1 4.25Å; L95-Q239 HydrophobicContact CD1-CB 4.29Å |
| 96 | D | 65.6 | Low | 75 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 2.3 | 172.4 | 66.8 | 9.6 | 0 | 0 | 0 | 113.8 | M94 T98 | M94-D96 VanDerWaalsContact CB-OD1 3.31Å; M94-D96 WeakPolarHBondContact CB-OD1 3.21Å; M94-D96 PolarHBondContact O-N 2.94Å; D96-T98 VanDerWaalsContact OD1-CB 3.25Å; D96-T98 WeakPolarHBondContact OD1-CB 3.49Å; D96-T98 WeakPolarHBondContact OD1-CG2 3.27Å; D96-T98 PolarHBondContact OD1-N 2.9Å; D96-T98 PolarHBondContact OD1-OG1 3.13Å |
| 97 | G | 65.1 | Low | 75 | Confident | 49 Ų | 49 | 45 Ų | 45 | 51% | 0.505 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 87.8 | -7.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | M94 L95 | M94-G97 PolarHBondContact O-N 3.06Å; L95-G97 PolarHBondContact O-N 3.32Å |
| 98 | T | 71.7 | Confident | 75.2 | Confident | 67 Ų | 67 | 44.4 Ų | 44.4 | 41% | 0.411 | 25% | 0.245 | S | C | . | . | trans | -72 | 130.4 | 178.6 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | R93 M94 D96 | R93-T98 WeakPolarHBondContact CA-O 3.42Å; M94-T98 VanDerWaalsContact CG-OG1 3.28Å; M94-T98 WeakPolarHBondContact CG-OG1 3.44Å; M94-T98 PolarHBondContact N-O 3.15Å; D96-T98 VanDerWaalsContact OD1-CB 3.25Å; D96-T98 WeakPolarHBondContact OD1-CB 3.49Å; D96-T98 WeakPolarHBondContact OD1-CG2 3.27Å; D96-T98 PolarHBondContact OD1-N 2.9Å; D96-T98 PolarHBondContact OD1-OG1 3.13Å | ||
| 99 | V | 72 | Confident | 75.3 | Confident | 69 Ų | 69 | 46 Ų | 46 | 42% | 0.418 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 104.5 | 179.2 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | K91 R93 T211 | K91-V99 HydrophobicContact CB-CG1 3.94Å; R93-V99 HydrophobicContact CB-CG2 4.2Å; R93-V99 HydrophobicContact CG-CG2 4.03Å; V99-T211 HydrophobicContact CG1-CG2 3.89Å; V99-T211 HydrophobicContact CG2-CG2 4.49Å |
| 100 | K | 71.7 | Confident | 75.4 | Confident | 84 Ų | 84 | 43.2 Ų | 43.2 | 37% | 0.365 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 120.7 | 173.1 | -66.5 | -175.2 | 178.9 | 177.1 | 0 | 109.9 | V92 M94 I121 | V92-K100 PolarHBondContact N-O 3.12Å; V92-K100 PolarHBondContact O-N 3.09Å; M94-K100 HydrophobicContact CE-CB 4.1Å; M94-K100 HydrophobicContact CE-CD 4.13Å; M94-K100 HydrophobicContact CE-CG 4.19Å; M94-K100 HydrophobicContact SD-CD 4.42Å; K100-I121 HydrophobicContact CD-CG1 4.23Å |
| 101 | T | 78.3 | Confident | 75.3 | Confident | 84 Ų | 84 | 44.4 Ų | 44.4 | 52% | 0.515 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120 | 172.6 | -55 | 0 | 0 | 0 | 0 | 109.6 | T89 L90 K91 | T89-T101 HydrophobicContact CG2-CG2 4.3Å; L90-T101 WeakPolarHBondContact O-CA 3.27Å; K91-T101 HydrophobicContact CG-CG2 4.33Å |
| 102 | L | 76.8 | Confident | 75.2 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.6 | -175.6 | -62.4 | 174.7 | 0 | 0 | 0 | 110.4 | L90 V92 I117 R120 I121 | L90-L102 PolarHBondContact N-O 2.89Å; L90-L102 PolarHBondContact O-N 2.95Å; V92-L102 HydrophobicContact CG2-CD1 4Å; L102-I117 HydrophobicContact CD1-CB 4.28Å; L102-I117 HydrophobicContact CD1-CG1 3.92Å; L102-I117 HydrophobicContact CD1-CG2 3.99Å; L102-R120 HydrophobicContact CD2-CB 4.17Å; L102-I121 HydrophobicContact CD1-CD1 4.32Å; L102-I121 HydrophobicContact CD1-CG1 4.47Å |
| 103 | M | 77.4 | Confident | 75.3 | Confident | 83 Ų | 83 | 45.7 Ų | 45.7 | 41% | 0.409 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 120.7 | 168.7 | -73.1 | -72.4 | -75.2 | 0 | 0 | 109.7 | L87 R88 T89 R120 | L87-M103 HydrophobicContact CB-CE 3.88Å; L87-M103 HydrophobicContact CD1-CE 4.45Å; R88-M103 WeakPolarHBondContact O-CA 3.36Å; T89-M103 HydrophobicContact CG2-SD 3.64Å; M103-R120 PolarHBondContact O-NH1 3.37Å |
| 104 | V | 74.9 | Confident | 75.4 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156.6 | -176.8 | -93 | 0 | 0 | 0 | 0 | 111.7 | R88 L90 L113 I117 | R88-V104 PolarHBondContact N-O 2.6Å; R88-V104 PolarHBondContact O-N 2.69Å; L90-V104 HydrophobicContact CB-CG2 3.43Å; L90-V104 VanDerWaalsContact CB-CG2 3.43Å; L90-V104 HydrophobicContact CD2-CG2 4.11Å; L90-V104 HydrophobicContact CG-CG2 4.42Å; V104-L113 HydrophobicContact CB-CD2 3.65Å; V104-L113 HydrophobicContact CG1-CD2 3.58Å; V104-I117 HydrophobicContact CG1-CD1 4.18Å; V104-I117 HydrophobicContact CG1-CG1 4.11Å |
| 105 | D | 77.2 | Confident | 75.6 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 110.5 | -179.9 | -170.8 | -31.3 | 0 | 0 | 0 | 109.9 | S107 L108 | D105-S107 PolarHBondContact O-N 3.23Å; D105-S107 VanDerWaalsContact O-N 3.15Å; D105-S107 WeakPolarHBondContact OD1-CA 3.4Å; D105-S107 WeakPolarHBondContact OD1-CB 3.2Å; D105-S107 PolarHBondContact OD1-N 3.43Å; D105-S107 PolarHBondContact OD1-OG 3.42Å; D105-L108 HydrophobicContact CB-CD1 3.97Å; D105-L108 HydrophobicContact CB-CG 3.94Å; D105-L108 PolarHBondContact O-N 2.93Å |
| 106 | D | 77.2 | Confident | 76.1 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -6.8 | -178 | -157.6 | 47.6 | 0 | 0 | 0 | 112.8 | W63 K86 R88 R202 | W63-D106 PolarHBondContact NE1-O 3.44Å; K86-D106 WeakPolarHBondContact O-CB 3.42Å; K86-D106 PolarHBondContact O-N 3.02Å; R88-D106 HydrophobicContact CB-CB 4.04Å; R88-D106 WeakPolarHBondContact CD-OD1 3.32Å; R88-D106 IonicContact CZ-OD1 2.75Å; R88-D106 IonicContact NE-OD1 2.93Å; R88-D106 IonicContact NH1-OD1 3.85Å; R88-D106 PolarHBondContact NH1-OD1 3.24Å; D106-R202 IonicContact OD2-CZ 3.6Å; D106-R202 VanDerWaalsContact OD2-CZ 3.23Å; D106-R202 IonicContact OD2-NE 3.59Å; D106-R202 PolarHBondContact OD2-NE 3.19Å; D106-R202 IonicContact OD2-NH2 3.09Å; D106-R202 PolarHBondContact OD2-NH2 2.88Å |
| 107 | S | 74.6 | Confident | 76.7 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 20% | 0.203 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -3.5 | 174.3 | 73.4 | 0 | 0 | 0 | 0 | 114.5 | D105 | D105-S107 PolarHBondContact O-N 3.23Å; D105-S107 VanDerWaalsContact O-N 3.15Å; D105-S107 WeakPolarHBondContact OD1-CA 3.4Å; D105-S107 WeakPolarHBondContact OD1-CB 3.2Å; D105-S107 PolarHBondContact OD1-N 3.43Å; D105-S107 PolarHBondContact OD1-OG 3.42Å |
| 108 | L | 78.8 | Confident | 77.2 | Confident | 53 Ų | 53 | 40.8 Ų | 40.8 | 28% | 0.277 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -96.6 | 144.8 | 176 | -60.2 | -177.4 | 0 | 0 | 0 | 112.1 | D105 L113 | D105-L108 HydrophobicContact CB-CD1 3.97Å; D105-L108 HydrophobicContact CB-CG 3.94Å; D105-L108 PolarHBondContact O-N 2.93Å; L108-L113 HydrophobicContact CB-CD2 4.4Å; L108-L113 HydrophobicContact CB-CG 4.24Å; L108-L113 WeakPolarHBondContact O-CD1 3.23Å |
| 109 | P | 79.9 | Confident | 77.3 | Confident | 40 Ų | 40 | 41.2 Ų | 41.2 | 26% | 0.26 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -71.4 | 154.3 | 174.4 | 31.4 | -35.7 | 0 | 0 | 0 | 111.4 | G111 Q112 L113 K199 | P109-G111 PolarHBondContact O-N 2.72Å; P109-G111 VanDerWaalsContact O-N 3.09Å; P109-Q112 PolarHBondContact O-N 3.23Å; P109-L113 PolarHBondContact O-N 3.02Å; P109-K199 WeakPolarHBondContact CA-O 3.44Å |
| 110 | V | 81.3 | Confident | 77.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.6 | -30.8 | -171.6 | 169.6 | 0 | 0 | 0 | 0 | 113.5 | Q112 L113 M114 L195 K199 L201 | V110-Q112 PolarHBondContact O-N 3.42Å; V110-L113 HydrophobicContact CG2-CD1 4.29Å; V110-L113 WeakPolarHBondContact O-CB 3.37Å; V110-L113 PolarHBondContact O-N 3.34Å; V110-M114 HydrophobicContact CG1-CE 4.34Å; V110-M114 WeakPolarHBondContact O-CG 3.47Å; V110-M114 PolarHBondContact O-N 3.31Å; V110-L195 HydrophobicContact CG1-CB 4Å; V110-L195 HydrophobicContact CG2-CB 4.15Å; V110-K199 WeakPolarHBondContact CG2-O 3.31Å; V110-K199 PolarHBondContact N-O 2.82Å; V110-L201 HydrophobicContact CG2-CD2 3.78Å; V110-L201 HydrophobicContact CG2-CG 4.17Å |
| 111 | G | 77.8 | Confident | 77.5 | Confident | 26 Ų | 26 | 42 Ų | 42 | 27% | 0.268 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | P109 M114 H197 | P109-G111 PolarHBondContact O-N 2.72Å; P109-G111 VanDerWaalsContact O-N 3.09Å; G111-M114 PolarHBondContact O-N 2.94Å; G111-H197 PolarHBondContact N-O 2.95Å |
| 112 | Q | 79.4 | Confident | 77 | Confident | 106 Ų | 106 | 40.8 Ų | 40.8 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -76.9 | -29.7 | 175.5 | -74 | -176.2 | -16.5 | 0 | 0 | 112.1 | P109 V110 M114 I115 | P109-Q112 PolarHBondContact O-N 3.23Å; V110-Q112 PolarHBondContact O-N 3.42Å; Q112-M114 VanDerWaalsContact C-N 3.28Å; Q112-M114 PolarHBondContact O-N 2.98Å; Q112-I115 PolarHBondContact O-N 3.15Å |
| 113 | L | 79.7 | Confident | 76.6 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.6 | -32.6 | 172.6 | -69.7 | 166.9 | 0 | 0 | 0 | 112.1 | V104 L108 P109 V110 I115 V116 I117 L201 | V104-L113 HydrophobicContact CB-CD2 3.65Å; V104-L113 HydrophobicContact CG1-CD2 3.58Å; L108-L113 HydrophobicContact CB-CD2 4.4Å; L108-L113 HydrophobicContact CB-CG 4.24Å; L108-L113 WeakPolarHBondContact O-CD1 3.23Å; P109-L113 PolarHBondContact O-N 3.02Å; V110-L113 HydrophobicContact CG2-CD1 4.29Å; V110-L113 WeakPolarHBondContact O-CB 3.37Å; V110-L113 PolarHBondContact O-N 3.34Å; L113-I115 PolarHBondContact O-N 2.98Å; L113-V116 PolarHBondContact O-N 3.19Å; L113-I117 HydrophobicContact CB-CD1 4.36Å; L113-I117 WeakPolarHBondContact O-CB 3.44Å; L113-I117 VanDerWaalsContact O-CG1 3.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.46Å; L113-I117 PolarHBondContact O-N 3.47Å; L113-L201 HydrophobicContact CD1-CD1 3.78Å; L113-L201 HydrophobicContact CD1-CG 3.81Å |
| 114 | M | 81.4 | Confident | 76.1 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 177.8 | -72.9 | -52.1 | 90.9 | 0 | 0 | 112.8 | V110 G111 Q112 V116 I117 C118 L131 L214 | V110-M114 HydrophobicContact CG1-CE 4.34Å; V110-M114 WeakPolarHBondContact O-CG 3.47Å; V110-M114 PolarHBondContact O-N 3.31Å; G111-M114 PolarHBondContact O-N 2.94Å; Q112-M114 VanDerWaalsContact C-N 3.28Å; Q112-M114 PolarHBondContact O-N 2.98Å; M114-V116 VanDerWaalsContact C-N 3.3Å; M114-V116 PolarHBondContact O-N 3.47Å; M114-I117 HydrophobicContact CE-CB 4.19Å; M114-I117 HydrophobicContact CE-CD1 3.53Å; M114-I117 HydrophobicContact CE-CG1 4.39Å; M114-I117 HydrophobicContact CE-CG2 4.39Å; M114-I117 PolarHBondContact O-N 3.06Å; M114-C118 VanDerWaalsContact O-CB 3.25Å; M114-C118 WeakPolarHBondContact O-CB 3.5Å; M114-C118 PolarHBondContact O-N 3.19Å; M114-C118 PolarHBondContact O-SG 3.24Å; M114-L131 HydrophobicContact CE-CB 4.5Å; M114-L131 HydrophobicContact CE-CD1 3.39Å; M114-L131 HydrophobicContact CE-CD2 4.2Å; M114-L131 HydrophobicContact CE-CG 3.38Å; M114-L131 HydrophobicContact SD-CG 4.03Å; M114-L214 HydrophobicContact SD-CD1 4.24Å |
| 115 | I | 80.9 | Confident | 75.8 | Confident | 82 Ų | 82 | 45.3 Ų | 45.3 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 175 | -56.1 | 172.3 | 0 | 0 | 0 | 110.2 | Q112 L113 A119 | Q112-I115 PolarHBondContact O-N 3.15Å; L113-I115 PolarHBondContact O-N 2.98Å; I115-A119 WeakPolarHBondContact O-CB 3.39Å; I115-A119 PolarHBondContact O-N 3.43Å; I115-A119 VanDerWaalsContact O-N 3.13Å |
| 116 | V | 76.7 | Confident | 75.4 | Confident | 59 Ų | 59 | 46.2 Ų | 46.2 | 36% | 0.358 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.7 | -39 | 179.8 | -178 | 0 | 0 | 0 | 0 | 112.3 | L113 M114 R120 | L113-V116 PolarHBondContact O-N 3.19Å; M114-V116 VanDerWaalsContact C-N 3.3Å; M114-V116 PolarHBondContact O-N 3.47Å; V116-R120 WeakPolarHBondContact O-CB 3.3Å; V116-R120 PolarHBondContact O-N 3.06Å |
| 117 | I | 77.5 | Confident | 75 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72 | -50.6 | -177.5 | -74.2 | 169.8 | 0 | 0 | 0 | 110.5 | L90 L102 V104 L113 M114 A119 R120 I121 L131 L214 | L90-I117 HydrophobicContact CD2-CD1 3.86Å; L102-I117 HydrophobicContact CD1-CB 4.28Å; L102-I117 HydrophobicContact CD1-CG1 3.92Å; L102-I117 HydrophobicContact CD1-CG2 3.99Å; V104-I117 HydrophobicContact CG1-CD1 4.18Å; V104-I117 HydrophobicContact CG1-CG1 4.11Å; L113-I117 HydrophobicContact CB-CD1 4.36Å; L113-I117 WeakPolarHBondContact O-CB 3.44Å; L113-I117 VanDerWaalsContact O-CG1 3.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.46Å; L113-I117 PolarHBondContact O-N 3.47Å; M114-I117 HydrophobicContact CE-CB 4.19Å; M114-I117 HydrophobicContact CE-CD1 3.53Å; M114-I117 HydrophobicContact CE-CG1 4.39Å; M114-I117 HydrophobicContact CE-CG2 4.39Å; M114-I117 PolarHBondContact O-N 3.06Å; I117-A119 PolarHBondContact O-N 2.97Å; I117-R120 PolarHBondContact O-N 3.42Å; I117-I121 HydrophobicContact CG2-CD1 3.58Å; I117-I121 WeakPolarHBondContact O-CB 3.3Å; I117-I121 WeakPolarHBondContact O-CD1 3.28Å; I117-I121 WeakPolarHBondContact O-CG1 3.29Å; I117-I121 PolarHBondContact O-N 3.15Å; I117-L131 HydrophobicContact CD1-CD1 4.09Å; I117-L214 HydrophobicContact CG2-CD1 4.45Å |
| 118 | C | 75.5 | Confident | 74.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 176.8 | -70.2 | 0 | 0 | 0 | 0 | 112 | M114 R120 I121 G122 I123 H126 | M114-C118 VanDerWaalsContact O-CB 3.25Å; M114-C118 WeakPolarHBondContact O-CB 3.5Å; M114-C118 PolarHBondContact O-N 3.19Å; M114-C118 PolarHBondContact O-SG 3.24Å; C118-R120 VanDerWaalsContact C-N 3.31Å; C118-R120 PolarHBondContact O-N 3.08Å; C118-I121 PolarHBondContact O-N 3.41Å; C118-G122 PolarHBondContact O-N 3.37Å; C118-I123 CarbonylContact C-O 3.49Å; C118-I123 HydrophobicContact CB-CB 4.04Å; C118-I123 HydrophobicContact CB-CG2 4.37Å; C118-I123 PolarHBondContact O-N 2.95Å; C118-H126 HydrophobicContact CB-CB 3.77Å |
| 119 | A | 74.5 | Confident | 74.6 | Confident | 76 Ų | 76 | 49.3 Ų | 49.3 | 63% | 0.628 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62 | -34 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I115 I117 | I115-A119 WeakPolarHBondContact O-CB 3.39Å; I115-A119 PolarHBondContact O-N 3.43Å; I115-A119 VanDerWaalsContact O-N 3.13Å; I117-A119 PolarHBondContact O-N 2.97Å |
| 120 | R | 73.5 | Confident | 74.6 | Confident | 140 Ų | 140 | 47.4 Ų | 47.4 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -79.1 | -18.5 | 173.6 | -80 | -170.2 | 177.9 | 159.5 | 4.7 | 114.3 | L102 M103 V116 I117 C118 | L102-R120 HydrophobicContact CD2-CB 4.17Å; M103-R120 PolarHBondContact O-NH1 3.37Å; V116-R120 WeakPolarHBondContact O-CB 3.3Å; V116-R120 PolarHBondContact O-N 3.06Å; I117-R120 PolarHBondContact O-N 3.42Å; C118-R120 VanDerWaalsContact C-N 3.31Å; C118-R120 PolarHBondContact O-N 3.08Å |
| 121 | I | 73.6 | Confident | 74.5 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -90.8 | -27.9 | 179.9 | -69.5 | 168 | 0 | 0 | 0 | 111.4 | M94 K100 L102 I117 C118 I123 L214 | M94-I121 HydrophobicContact CE-CD1 3.66Å; M94-I121 HydrophobicContact CE-CG1 4.3Å; M94-I121 HydrophobicContact SD-CD1 3.97Å; M94-I121 HydrophobicContact SD-CG1 4.39Å; M94-I121 HydrophobicContact SD-CG2 3.92Å; K100-I121 HydrophobicContact CD-CG1 4.23Å; L102-I121 HydrophobicContact CD1-CD1 4.32Å; L102-I121 HydrophobicContact CD1-CG1 4.47Å; I117-I121 HydrophobicContact CG2-CD1 3.58Å; I117-I121 WeakPolarHBondContact O-CB 3.3Å; I117-I121 WeakPolarHBondContact O-CD1 3.28Å; I117-I121 WeakPolarHBondContact O-CG1 3.29Å; I117-I121 PolarHBondContact O-N 3.15Å; C118-I121 PolarHBondContact O-N 3.41Å; I121-I123 HydrophobicContact CG2-CD1 3.85Å; I121-I123 HydrophobicContact CG2-CG1 4.08Å; I121-L214 HydrophobicContact CD1-CD2 3.71Å |
| 122 | G | 68.9 | Low | 74.4 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 61% | 0.608 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.2 | 12.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C118 | C118-G122 PolarHBondContact O-N 3.37Š|
| 123 | I | 67.8 | Low | 74.1 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 11% | 0.113 | 25% | 0.25 | C | C | . | . | trans | -96.5 | 120.3 | -177.4 | -62.3 | 169.1 | 0 | 0 | 0 | 109 | C118 I121 Y129 L214 | C118-I123 CarbonylContact C-O 3.49Å; C118-I123 HydrophobicContact CB-CB 4.04Å; C118-I123 HydrophobicContact CB-CG2 4.37Å; C118-I123 PolarHBondContact O-N 2.95Å; I121-I123 HydrophobicContact CG2-CD1 3.85Å; I121-I123 HydrophobicContact CG2-CG1 4.08Å; I123-Y129 HydrophobicContact CD1-CD1 4.12Å; I123-Y129 HydrophobicContact CD1-CE1 3.97Å; I123-Y129 HydrophobicContact CG2-CD2 3.64Å; I123-Y129 HydrophobicContact CG2-CE2 3.48Å; I123-Y129 VanDerWaalsContact CG2-CE2 3.48Å; I123-Y129 HydrophobicContact CG2-CG 4.3Å; I123-L214 HydrophobicContact CD1-CD2 3.74Å | ||
| 124 | T | 67.9 | Low | 73.3 | Confident | 114 Ų | 114 | 47.3 Ų | 47.3 | 70% | 0.699 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -77.8 | -41.9 | -178.3 | 47.5 | 0 | 0 | 0 | 0 | 113.2 | H126 | T124-H126 VanDerWaalsContact C-N 3.34Å; T124-H126 PolarHBondContact O-N 3.29Å |
| 125 | N | 67.8 | Low | 71.9 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 35% | 0.348 | 29% | 0.294 | S | S | . | . | trans | -83.9 | 68.8 | -178.6 | -71.1 | 0.4 | 0 | 0 | 0 | 112 | D127 E128 Y129 | N125-D127 PolarHBondContact O-N 2.9Å; N125-E128 HydrophobicContact CB-CG 4.42Å; N125-E128 PolarHBondContact O-N 3.02Å; N125-Y129 WeakPolarHBondContact O-CD2 3.38Å | ||
| 126 | H | 68.5 | Low | 70.2 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 28% | 0.282 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -58.2 | -29.2 | -177.6 | 48.1 | 66.7 | 0 | 0 | 0 | 114.4 | C118 T124 E128 Y129 | C118-H126 HydrophobicContact CB-CB 3.77Å; T124-H126 VanDerWaalsContact C-N 3.34Å; T124-H126 PolarHBondContact O-N 3.29Å; H126-E128 PolarHBondContact O-N 2.96Å; H126-Y129 PolarHBondContact O-N 2.85Å |
| 127 | D | 69.1 | Low | 68.5 | Low | 123 Ų | 123 | 59.5 Ų | 59.5 | 66% | 0.658 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -71 | -16.5 | -177.4 | -60.9 | -22.6 | 0 | 0 | 0 | 113.8 | N125 | N125-D127 PolarHBondContact O-N 2.9Š|
| 128 | E | 71.6 | Confident | 66.1 | Low | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -90.1 | -10.7 | 178.2 | -66.3 | -166 | 132.7 | 0 | 0 | 113.3 | N125 H126 R216 K217 F218 F220 S221 | N125-E128 HydrophobicContact CB-CG 4.42Å; N125-E128 PolarHBondContact O-N 3.02Å; H126-E128 PolarHBondContact O-N 2.96Å; E128-R216 HydrophobicContact CB-CG 4.07Å; E128-R216 CarbonylContact O-C 3.59Å; E128-R216 WeakPolarHBondContact O-CA 3.49Å; E128-R216 VanDerWaalsContact O-CG 3.3Å; E128-R216 WeakPolarHBondContact O-CG 3.47Å; E128-R216 IonicContact OE1-CZ 2.94Å; E128-R216 IonicContact OE1-NH2 3.94Å; E128-R216 PolarHBondContact OE1-NH2 3.29Å; E128-R216 IonicContact OE2-CZ 2.75Å; E128-R216 VanDerWaalsContact OE2-CZ 3.3Å; E128-R216 IonicContact OE2-NE 2.7Å; E128-R216 PolarHBondContact OE2-NE 3.34Å; E128-R216 IonicContact OE2-NH2 3.24Å; E128-R216 PolarHBondContact OE2-NH2 2.87Å; E128-K217 PolarHBondContact O-N 2.83Å; E128-F218 WeakPolarHBondContact CB-O 3.43Å; E128-F218 PolarHBondContact O-N 3.47Å; E128-F220 PolarHBondContact OE1-N 3.21Å; E128-S221 WeakPolarHBondContact OE1-CB 3.38Å; E128-S221 PolarHBondContact OE1-N 2.87Å |
| 129 | Y | 74.1 | Confident | 64 | Low | 18 Ų | 18 | 74.7 Ų | 74.7 | 7% | 0.071 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 149 | -173.8 | -70.9 | -102.2 | 0 | 0 | 0 | 112.4 | I123 N125 H126 L214 R216 | I123-Y129 HydrophobicContact CD1-CD1 4.12Å; I123-Y129 HydrophobicContact CD1-CE1 3.97Å; I123-Y129 HydrophobicContact CG2-CD2 3.64Å; I123-Y129 HydrophobicContact CG2-CE2 3.48Å; I123-Y129 VanDerWaalsContact CG2-CE2 3.48Å; I123-Y129 HydrophobicContact CG2-CG 4.3Å; N125-Y129 WeakPolarHBondContact O-CD2 3.38Å; H126-Y129 PolarHBondContact O-N 2.85Å; Y129-L214 HydrophobicContact CD1-CD2 4.44Å; Y129-L214 HydrophobicContact CD1-CG 4.28Å; Y129-R216 HydrophobicContact CD1-CB 4.24Å; Y129-R216 HydrophobicContact CD2-CG 4.42Å; Y129-R216 HydrophobicContact CE1-CB 4.06Å; Y129-R216 HydrophobicContact CE1-CG 4.41Å; Y129-R216 HydrophobicContact CE2-CG 4.2Å |
| 130 | S | 78.2 | Confident | 62 | Low | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 161.9 | 176 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | H197 R215 | S130-H197 PolarHBondContact OG-CE1 2.84Å; S130-R215 PolarHBondContact N-O 3.48Å; S130-R215 PolarHBondContact O-N 3.01Å; S130-R215 VanDerWaalsContact O-O 3.08Å |
| 131 | L | 80.8 | Confident | 60 | Low | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 144.3 | 168.6 | -61.5 | 169.9 | 0 | 0 | 0 | 111.5 | L90 V92 M114 I117 W194 L195 V212 L213 L214 | L90-L131 HydrophobicContact CD2-CD1 3.85Å; V92-L131 HydrophobicContact CG1-CD2 3.73Å; V92-L131 HydrophobicContact CG2-CD2 4.17Å; M114-L131 HydrophobicContact CE-CB 4.5Å; M114-L131 HydrophobicContact CE-CD1 3.39Å; M114-L131 HydrophobicContact CE-CD2 4.2Å; M114-L131 HydrophobicContact CE-CG 3.38Å; M114-L131 HydrophobicContact SD-CG 4.03Å; I117-L131 HydrophobicContact CD1-CD1 4.09Å; L131-W194 WeakPolarHBondContact O-CA 3.49Å; L131-L195 HydrophobicContact CB-CD1 3.68Å; L131-L195 HydrophobicContact CD1-CD1 4.24Å; L131-L195 PolarHBondContact O-N 3.14Å; L131-V212 HydrophobicContact CB-CB 4.29Å; L131-V212 HydrophobicContact CD1-CG2 4.07Å; L131-V212 HydrophobicContact CD2-CB 4.19Å; L131-V212 HydrophobicContact CD2-CG2 3.77Å; L131-V212 HydrophobicContact CG-CG2 4.34Å; L131-L213 CarbonylContact C-O 3.49Å; L131-L213 WeakPolarHBondContact CA-O 3.49Å; L131-L214 HydrophobicContact CD2-CD1 4.08Å |
| 132 | V | 75.9 | Confident | 57.9 | Low | 6 Ų | 6 | 88.5 Ų | 88.5 | 4% | 0.036 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138.1 | 170.6 | 175.7 | 0 | 0 | 0 | 0 | 108.4 | E134 L192 W194 V212 L213 R215 | V132-E134 PolarHBondContact O-N 3.4Å; V132-L192 HydrophobicContact CG1-CB 3.85Å; V132-L192 HydrophobicContact CG1-CD2 3.82Å; V132-L192 HydrophobicContact CG1-CG 4.44Å; V132-L192 HydrophobicContact CG2-CB 3.94Å; V132-L192 HydrophobicContact CG2-CD2 4.42Å; V132-W194 HydrophobicContact CG2-CD2 3.79Å; V132-W194 HydrophobicContact CG2-CE3 3.33Å; V132-W194 HydrophobicContact CG2-CH2 4Å; V132-W194 HydrophobicContact CG2-CZ2 4.37Å; V132-W194 HydrophobicContact CG2-CZ3 3.45Å; V132-W194 VanDerWaalsContact CG2-CZ3 3.45Å; V132-V212 CarbonylContact O-C 3.08Å; V132-V212 WeakPolarHBondContact O-CA 3.48Å; V132-L213 HydrophobicContact CB-CB 4.37Å; V132-L213 PolarHBondContact N-O 3.21Å; V132-L213 PolarHBondContact O-N 3.44Å; V132-R215 HydrophobicContact CG2-CB 4.42Å |
| 133 | R | 72.4 | Confident | 56.1 | Low | 74 Ų | 74 | 92.3 Ų | 92.3 | 28% | 0.279 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 116.7 | 171.9 | -161.9 | 175.8 | -175.7 | 153.3 | 8.2 | 110.2 | M135 N193 Q204 G205 E210 | R133-M135 PolarHBondContact O-N 3.44Å; R133-N193 HydrophobicContact CB-CB 3.87Å; R133-N193 PolarHBondContact N-O 2.95Å; R133-Q204 PolarHBondContact NH1-O 3.03Å; R133-G205 PolarHBondContact NH1-O 3.05Å; R133-G205 VanDerWaalsContact NH1-O 3.14Å; R133-G205 PolarHBondContact NH2-O 3.17Å; R133-E210 IonicContact CZ-OE1 3.67Å; R133-E210 VanDerWaalsContact CZ-OE1 3.22Å; R133-E210 IonicContact CZ-OE2 3.43Å; R133-E210 IonicContact NE-OE1 3.59Å; R133-E210 PolarHBondContact NE-OE1 3.46Å; R133-E210 IonicContact NE-OE2 3.48Å; R133-E210 IonicContact NH2-OE1 2.72Å; R133-E210 PolarHBondContact NH2-OE1 3.14Å; R133-E210 IonicContact NH2-OE2 3.07Å; R133-E210 PolarHBondContact NH2-OE2 2.88Å |
| 134 | E | 62.3 | Low | 54.2 | Low | 52 Ų | 52 | 97.2 Ų | 97.2 | 24% | 0.243 | 50% | 0.497 | C | S | . | . | trans | -80.8 | 107.7 | -179.9 | -171.7 | 177.1 | -139.4 | 0 | 0 | 109.2 | R93 V132 I136 T211 | R93-E134 IonicContact CZ-OE1 3.71Å; R93-E134 IonicContact CZ-OE2 2.71Å; R93-E134 IonicContact NE-OE1 2.87Å; R93-E134 PolarHBondContact NE-OE1 3.34Å; R93-E134 IonicContact NE-OE2 2.8Å; R93-E134 PolarHBondContact NE-OE2 3.02Å; R93-E134 IonicContact NH1-OE1 3.21Å; R93-E134 PolarHBondContact NH1-OE1 3.49Å; R93-E134 IonicContact NH1-OE2 3.02Å; R93-E134 PolarHBondContact NH1-OE2 3.13Å; R93-E134 IonicContact NH2-OE1 3.39Å; R93-E134 IonicContact NH2-OE2 2.66Å; R93-E134 PolarHBondContact NH2-OE2 3.32Å; V132-E134 PolarHBondContact O-N 3.4Å; E134-I136 PolarHBondContact O-N 3.33Å; E134-T211 PolarHBondContact OE2-OG1 3.01Å | ||
| 135 | M | 51.8 | Low | 52.5 | Low | 143 Ų | 143 | 98.5 Ų | 98.5 | 70% | 0.704 | 50% | 0.504 | S | S | * | . | trans | -71.4 | 127.9 | 170.4 | -71.9 | -156.1 | -175.5 | 0 | 0 | 109.4 | R133 V137 | R133-M135 PolarHBondContact O-N 3.44Å; M135-V137 PolarHBondContact O-N 3.42Å | ||
| 136 | I | 45.8 | Very low | 50.6 | Low | 150 Ų | 150 | 104.2 Ų | 104.2 | 77% | 0.769 | 53% | 0.526 | S | S | * | . | trans | -71.1 | 101 | 174.1 | -58.3 | 173 | 0 | 0 | 0 | 107.8 | E134 E138 | E134-I136 PolarHBondContact O-N 3.33Å; I136-E138 PolarHBondContact O-N 3.05Å | ||
| 137 | V | 40.5 | Very low | 48.7 | Very low | 109 Ų | 109 | 110.8 Ų | 110.8 | 66% | 0.661 | 55% | 0.548 | S | S | * | . | trans | -70.7 | 112.8 | 164.5 | -178.5 | 0 | 0 | 0 | 0 | 106.9 | M135 N139 | M135-V137 PolarHBondContact O-N 3.42Å; V137-N139 HydrophobicContact CG1-CB 4.39Å; V137-N139 PolarHBondContact O-N 2.97Å | ||
| 138 | E | 28.3 | Very low | 46.9 | Very low | 185 Ų | 185 | 111.2 Ų | 111.2 | 86% | 0.864 | 55% | 0.547 | S | S | * | . | trans | -73 | 66 | 179.9 | -68.8 | -166.6 | 143.7 | 0 | 0 | 112.3 | I136 | I136-E138 PolarHBondContact O-N 3.05Š| ||
| 139 | N | 31.6 | Very low | 45 | Very low | 135 Ų | 135 | 119.5 Ų | 119.5 | 72% | 0.722 | 59% | 0.585 | S | S | * | * | trans | -108.4 | 73.3 | 171.1 | -82.7 | -13.9 | 0 | 0 | 0 | 110.2 | V137 | V137-N139 HydrophobicContact CG1-CB 4.39Å; V137-N139 PolarHBondContact O-N 2.97Å | ||
| 140 | D | 30.6 | Very low | 43.2 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 83% | 0.829 | 61% | 0.61 | S | S | * | * | trans | -179.7 | 117.4 | 150 | -105 | -22.4 | 0 | 0 | 0 | 112.1 | ||||
| 141 | R | 31.9 | Very low | 41 | Very low | 251 Ų | 251 | 128.8 Ų | 128.8 | 95% | 0.947 | 64% | 0.641 | S | S | * | * | trans | 179.1 | 86.4 | 147 | -100.6 | 155.9 | -168.1 | -150.9 | 1.6 | 112.2 | ||||
| 142 | V | 29.9 | Very low | 38.6 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 78% | 0.782 | 68% | 0.68 | S | S | * | * | trans | -91.1 | 148.1 | 156.5 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 143 | N | 30.7 | Very low | 36.2 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 81.3 | 108.5 | 174.3 | -63.8 | -35.3 | 0 | 0 | 0 | 119.7 | ||
| 144 | T | 27.9 | Very low | 34.2 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | 59.1 | 115.3 | 137.2 | 62.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 145 | V | 32.4 | Very low | 32.6 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | -169.8 | 144.5 | 97.3 | 147.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 146 | K | 29.1 | Very low | 31.4 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | trans | -44.2 | 154.4 | 174.7 | -63.8 | 165.5 | 175.7 | 173 | 0 | 116.4 | ||||
| 147 | R | 27.7 | Very low | 30.8 | Very low | 198 Ų | 198 | 148.5 Ų | 148.5 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | 96.3 | 123.3 | 134.7 | -90 | 175.8 | 139.9 | -177.9 | -20.6 | 121.3 | ||||
| 148 | E | 31.9 | Very low | 30.5 | Very low | 133 Ų | 133 | 153 Ų | 153 | 62% | 0.621 | 78% | 0.777 | S | S | * | * | trans | 79.8 | 94.8 | 132.3 | -70.9 | 157.1 | 177.1 | 0 | 0 | 119 | ||||
| 149 | E | 32 | Very low | 31 | Very low | 181 Ų | 181 | 148.9 Ų | 148.9 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | 34.1 | 161.2 | 104.8 | -76.2 | -158.8 | 174.4 | 0 | 0 | 121 | |||||
| 150 | P | 34.7 | Very low | 31.4 | Very low | 90 Ų | 90 | 151.3 Ų | 151.3 | 58% | 0.584 | 77% | 0.773 | S | S | * | * | cis | -143.5 | -166.5 | -38.5 | 39.9 | -21 | 0 | 0 | 0 | 112.9 | ||||
| 151 | N | 33.5 | Very low | 31.9 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | 116.9 | 104.9 | 152.2 | -68.3 | -49.3 | 0 | 0 | 0 | 119.6 | ||||
| 152 | K | 29.3 | Very low | 32.6 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | 31.2 | 122.6 | 119.2 | -58.6 | 170.4 | -179.1 | 170.7 | 0 | 117.9 | |||||
| 153 | L | 27 | Very low | 33.2 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 91% | 0.911 | 74% | 0.74 | S | S | * | * | 172.7 | 142.7 | 87.7 | -165.8 | 69 | 0 | 0 | 0 | 111.9 | |||||
| 154 | G | 28.9 | Very low | 33.6 | Very low | 63 Ų | 63 | 145.3 Ų | 145.3 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | trans | 86.2 | 155.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 155 | T | 29.7 | Very low | 34.3 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | cis | -162.2 | 131 | -13.7 | -13.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 156 | L | 26.9 | Very low | 34.9 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 82% | 0.817 | 71% | 0.707 | S | S | * | * | trans | 49.1 | 161.5 | 150.5 | -66 | 163.3 | 0 | 0 | 0 | 121.6 | ||||
| 157 | T | 32.5 | Very low | 35.5 | Very low | 135 Ų | 135 | 139 Ų | 139 | 83% | 0.828 | 69% | 0.693 | S | S | * | * | trans | 55.7 | 74.7 | 169.3 | 64.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 158 | R | 35.3 | Very low | 36 | Very low | 203 Ų | 203 | 139.2 Ų | 139.2 | 77% | 0.766 | 69% | 0.694 | S | S | * | * | trans | -148.7 | 8.4 | 154.2 | -120.1 | 170.4 | -177.5 | 179.9 | 0 | 116.3 | ||||
| 159 | S | 38.7 | Very low | 36.8 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 69% | 0.692 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -6.1 | -170.8 | -169.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 160 | K | 39.4 | Very low | 37.1 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -38.1 | 174.6 | -82.5 | -171.8 | 173.1 | -176.5 | 0 | 112.8 | K163 M164 | K160-K163 PolarHBondContact O-N 3.43Å; K160-M164 PolarHBondContact O-N 3.09Å |
| 161 | E | 41.6 | Very low | 37.1 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -62.8 | -50.7 | 171.3 | -76.8 | 175.9 | 138.6 | 0 | 0 | 111.1 | K163 M164 E165 | E161-K163 PolarHBondContact O-N 2.75Å; E161-M164 CarbonylContact O-C 3.53Å; E161-M164 PolarHBondContact O-N 3.31Å; E161-E165 WeakPolarHBondContact O-CB 3.44Å; E161-E165 PolarHBondContact O-N 3.05Å |
| 162 | K | 45.6 | Very low | 37.2 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -55 | -24.9 | 175.4 | -93.2 | -170.6 | 172.5 | -173.6 | 0 | 114.3 | Q166 | K162-Q166 WeakPolarHBondContact O-CB 3.48Å; K162-Q166 WeakPolarHBondContact O-CG 3.38Å; K162-Q166 PolarHBondContact O-N 3.22Å; K162-Q166 PolarHBondContact O-OE1 2.88Å |
| 163 | K | 41.8 | Very low | 37.3 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 61% | 0.609 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -85.6 | -33.9 | 176.2 | -128 | 177.1 | -176.4 | -177.7 | 0 | 113.2 | K160 E161 L167 | K160-K163 PolarHBondContact O-N 3.43Å; E161-K163 PolarHBondContact O-N 2.75Å; K163-L167 WeakPolarHBondContact O-CB 3.36Å; K163-L167 WeakPolarHBondContact O-CG 3.34Å; K163-L167 PolarHBondContact O-N 2.93Å |
| 164 | M | 39 | Very low | 37.8 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 64% | 0.635 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.7 | -28.7 | 171 | -127.8 | -168.7 | -64 | 0 | 0 | 112.1 | K160 E161 L167 R168 | K160-M164 PolarHBondContact O-N 3.09Å; E161-M164 CarbonylContact O-C 3.53Å; E161-M164 PolarHBondContact O-N 3.31Å; M164-L167 PolarHBondContact O-N 3.41Å; M164-R168 WeakPolarHBondContact O-CG 3.33Å; M164-R168 PolarHBondContact O-N 3.5Å |
| 165 | E | 43.7 | Very low | 38.2 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 51% | 0.505 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -80.9 | -31.9 | 174.6 | -163.8 | 165.7 | -149.7 | 0 | 0 | 111.5 | E161 R168 K169 | E161-E165 WeakPolarHBondContact O-CB 3.44Å; E161-E165 PolarHBondContact O-N 3.05Å; E165-R168 PolarHBondContact O-N 2.95Å; E165-K169 VanDerWaalsContact O-CB 3.3Å; E165-K169 WeakPolarHBondContact O-CB 3.46Å; E165-K169 VanDerWaalsContact O-CG 3.23Å; E165-K169 WeakPolarHBondContact O-CG 3.36Å; E165-K169 PolarHBondContact O-N 3.26Å |
| 166 | Q | 45.9 | Very low | 38.5 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 52% | 0.519 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -66.1 | -35.3 | 163 | -81.5 | 168 | -26.6 | 0 | 0 | 112.3 | K162 K169 Q170 | K162-Q166 WeakPolarHBondContact O-CB 3.48Å; K162-Q166 WeakPolarHBondContact O-CG 3.38Å; K162-Q166 PolarHBondContact O-N 3.22Å; K162-Q166 PolarHBondContact O-OE1 2.88Å; Q166-K169 CarbonylContact O-C 3.54Å; Q166-K169 PolarHBondContact O-N 3.05Å; Q166-Q170 WeakPolarHBondContact O-CB 3.47Å; Q166-Q170 VanDerWaalsContact O-CG 3.24Å; Q166-Q170 WeakPolarHBondContact O-CG 3.39Å; Q166-Q170 PolarHBondContact O-N 2.93Å; Q166-Q170 VanDerWaalsContact O-N 3.09Å |
| 167 | L | 41.7 | Very low | 38.9 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 52% | 0.518 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -71 | -34.7 | 172.9 | -81.8 | 161.4 | 0 | 0 | 0 | 112.8 | K163 M164 Q170 | K163-L167 WeakPolarHBondContact O-CB 3.36Å; K163-L167 WeakPolarHBondContact O-CG 3.34Å; K163-L167 PolarHBondContact O-N 2.93Å; M164-L167 PolarHBondContact O-N 3.41Å; L167-Q170 PolarHBondContact O-N 3.41Å |
| 168 | R | 38.1 | Very low | 39.1 | Very low | 204 Ų | 204 | 138.8 Ų | 138.8 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.7 | -37.3 | 168.6 | -77.1 | 179.5 | 173.3 | 174.7 | -3.1 | 112.2 | M164 E165 Q170 | M164-R168 WeakPolarHBondContact O-CG 3.33Å; M164-R168 PolarHBondContact O-N 3.5Å; E165-R168 PolarHBondContact O-N 2.95Å; R168-Q170 PolarHBondContact O-N 3.31Å |
| 169 | K | 46.9 | Very low | 39 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 67% | 0.665 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 1.5 | 174 | -71.3 | -178.7 | 178.2 | -156.7 | 0 | 115 | E165 Q166 | E165-K169 VanDerWaalsContact O-CB 3.3Å; E165-K169 WeakPolarHBondContact O-CB 3.46Å; E165-K169 VanDerWaalsContact O-CG 3.23Å; E165-K169 WeakPolarHBondContact O-CG 3.36Å; E165-K169 PolarHBondContact O-N 3.26Å; Q166-K169 CarbonylContact O-C 3.54Å; Q166-K169 PolarHBondContact O-N 3.05Å |
| 170 | Q | 38.9 | Very low | 38.8 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 9.3 | 176.9 | -82.1 | 179.3 | -22.9 | 0 | 0 | 113.1 | Q166 L167 R168 | Q166-Q170 WeakPolarHBondContact O-CB 3.47Å; Q166-Q170 VanDerWaalsContact O-CG 3.24Å; Q166-Q170 WeakPolarHBondContact O-CG 3.39Å; Q166-Q170 PolarHBondContact O-N 2.93Å; Q166-Q170 VanDerWaalsContact O-N 3.09Å; L167-Q170 PolarHBondContact O-N 3.41Å; R168-Q170 PolarHBondContact O-N 3.31Å |
| 171 | L | 35.5 | Very low | 38.5 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 70% | 0.702 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -131.3 | 15.4 | -167.5 | -116 | 158.4 | 0 | 0 | 0 | 114.7 | ||
| 172 | H | 34.6 | Very low | 38.1 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 54% | 0.542 | 62% | 0.619 | S | S | . | * | trans | -136.6 | 85.5 | 175.4 | -94.2 | 53.5 | 0 | 0 | 0 | 111.9 | E175 | H172-E175 IonicContact CD2-OE1 3.34Å; H172-E175 IonicContact CD2-OE2 3.77Å; H172-E175 PolarHBondContact CD2-OE2 3.37Å; H172-E175 IonicContact NE2-OE2 2.73Å | ||
| 173 | T | 30.9 | Very low | 37.4 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 85% | 0.853 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -70.6 | 144.3 | 154.7 | 43.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 174 | D | 37.5 | Very low | 37 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 60% | 0.604 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 84 | -21.1 | -175.7 | -91 | 22.8 | 0 | 0 | 0 | 119.8 | R1852 | D174-R1852 IonicContact OD2-CZ 3.22Å; D174-R1852 VanDerWaalsContact OD2-CZ 3.26Å; D174-R1852 IonicContact OD2-NH1 3.86Å; D174-R1852 PolarHBondContact OD2-NH1 3.46Å; D174-R1852 IonicContact OD2-NH2 2.8Å; D174-R1852 PolarHBondContact OD2-NH2 2.85Å |
| 175 | E | 37.7 | Very low | 36.6 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 52% | 0.523 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -82.2 | -33.2 | -179.4 | -91 | -169.1 | 171.7 | 0 | 0 | 115.6 | H172 R177 M178 | H172-E175 IonicContact CD2-OE1 3.34Å; H172-E175 IonicContact CD2-OE2 3.77Å; H172-E175 PolarHBondContact CD2-OE2 3.37Å; H172-E175 IonicContact NE2-OE2 2.73Å; E175-R177 PolarHBondContact O-N 2.97Å; E175-R177 VanDerWaalsContact O-N 3.11Å; E175-M178 PolarHBondContact O-N 3.32Å; E175-M178 VanDerWaalsContact O-N 3.08Å |
| 176 | E | 37 | Very low | 35.9 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 66% | 0.664 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.5 | -15.1 | -171.1 | -69.4 | -166.7 | 148.6 | 0 | 0 | 114.5 | F180 | E176-F180 PolarHBondContact O-N 3.18Å; E176-F180 VanDerWaalsContact O-N 3.16Å |
| 177 | R | 34.9 | Very low | 35 | Very low | 223 Ų | 223 | 126.8 Ų | 126.8 | 84% | 0.842 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.8 | -28.2 | 171.6 | -89.4 | -171.6 | -176.4 | 171.3 | 4.7 | 113.6 | E175 | E175-R177 PolarHBondContact O-N 2.97Å; E175-R177 VanDerWaalsContact O-N 3.11Å |
| 178 | M | 36.7 | Very low | 34.4 | Very low | 74 Ų | 74 | 126.3 Ų | 126.3 | 37% | 0.365 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -76.2 | -37.8 | 174.5 | -82.1 | -175.7 | 64.4 | 0 | 0 | 111.5 | E175 F180 W181 T442 | E175-M178 PolarHBondContact O-N 3.32Å; E175-M178 VanDerWaalsContact O-N 3.08Å; M178-F180 VanDerWaalsContact C-N 3.33Å; M178-F180 PolarHBondContact O-N 2.86Å; M178-W181 WeakPolarHBondContact O-CB 3.34Å; M178-W181 PolarHBondContact O-N 3.02Å; M178-W181 VanDerWaalsContact O-N 3.14Å; M178-T442 HydrophobicContact CE-CG2 3.79Å; M178-T442 HydrophobicContact CG-CG2 4.49Å; M178-T442 HydrophobicContact SD-CG2 4.46Å |
| 179 | N | 32.4 | Very low | 34 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 52% | 0.524 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.7 | -21.8 | 179.3 | -64.7 | -16.4 | 0 | 0 | 0 | 113.1 | W181 E182 | N179-W181 VanDerWaalsContact C-N 3.28Å; N179-E182 PolarHBondContact O-N 2.93Å |
| 180 | F | 34.9 | Very low | 33.4 | Very low | 126 Ų | 126 | 114.8 Ų | 114.8 | 55% | 0.553 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -21.6 | 169.8 | -152.2 | -92.5 | 0 | 0 | 0 | 112.7 | E176 M178 E182 F184 | E176-F180 PolarHBondContact O-N 3.18Å; E176-F180 VanDerWaalsContact O-N 3.16Å; M178-F180 VanDerWaalsContact C-N 3.33Å; M178-F180 PolarHBondContact O-N 2.86Å; F180-E182 VanDerWaalsContact C-N 3.34Å; F180-F184 HydrophobicContact CE1-CD2 4.13Å |
| 181 | W | 34.2 | Very low | 33.5 | Very low | 136 Ų | 136 | 111.9 Ų | 111.9 | 52% | 0.515 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -72.4 | -24 | 173.3 | -93.9 | 51.6 | 0 | 0 | 0 | 112.6 | M178 N179 C183 F184 V185 | M178-W181 WeakPolarHBondContact O-CB 3.34Å; M178-W181 PolarHBondContact O-N 3.02Å; M178-W181 VanDerWaalsContact O-N 3.14Å; N179-W181 VanDerWaalsContact C-N 3.28Å; W181-C183 PolarHBondContact O-N 2.86Å; W181-C183 VanDerWaalsContact O-N 3.13Å; W181-F184 PolarHBondContact O-N 2.66Å; W181-V185 HydrophobicContact CB-CG2 3.71Å; W181-V185 HydrophobicContact CD2-CG2 3.31Å; W181-V185 HydrophobicContact CE3-CB 4.27Å; W181-V185 HydrophobicContact CE3-CG1 4.09Å; W181-V185 HydrophobicContact CE3-CG2 3.1Å; W181-V185 HydrophobicContact CG-CG2 3.65Å; W181-V185 HydrophobicContact CH2-CG2 4.32Å; W181-V185 HydrophobicContact CZ3-CG1 4.01Å; W181-V185 HydrophobicContact CZ3-CG2 3.64Å; W181-V185 WeakPolarHBondContact O-CG2 3.45Å; W181-V185 PolarHBondContact O-N 3.15Å |
| 182 | E | 32 | Very low | 34.2 | Very low | 166 Ų | 166 | 108.4 Ų | 108.4 | 78% | 0.776 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -66.8 | -12.2 | 176.2 | -67.1 | -161.1 | 130 | 0 | 0 | 114.4 | N179 F180 | N179-E182 PolarHBondContact O-N 2.93Å; F180-E182 VanDerWaalsContact C-N 3.34Å |
| 183 | C | 30.4 | Very low | 35.2 | Very low | 109 Ų | 109 | 106.3 Ų | 106.3 | 74% | 0.736 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -111.4 | -5.1 | 178 | -72.4 | 0 | 0 | 0 | 0 | 115.2 | W181 | W181-C183 PolarHBondContact O-N 2.86Å; W181-C183 VanDerWaalsContact O-N 3.13Å |
| 184 | F | 33.6 | Very low | 37 | Very low | 73 Ų | 73 | 103.4 Ų | 103.4 | 32% | 0.32 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 2.7 | -170.5 | -101.8 | -71.8 | 0 | 0 | 0 | 116.9 | F180 W181 F186 V2390 D2391 | F180-F184 HydrophobicContact CE1-CD2 4.13Å; W181-F184 PolarHBondContact O-N 2.66Å; F184-F186 VanDerWaalsContact C-N 3.32Å; F184-F186 PolarHBondContact O-N 2.88Å; F184-F186 VanDerWaalsContact O-N 3.16Å; F184-V2390 HydrophobicContact CB-CG1 4.3Å; F184-V2390 HydrophobicContact CD1-CG1 3.34Å; F184-V2390 HydrophobicContact CE1-CG1 3.98Å; F184-V2390 HydrophobicContact CG-CG1 4.08Å; F184-D2391 HydrophobicContact CE1-CB 4.37Å; F184-D2391 WeakPolarHBondContact CE1-O 3.38Å; F184-D2391 WeakPolarHBondContact CZ-O 3.2Å |
| 185 | V | 30.9 | Very low | 38.7 | Very low | 56 Ų | 56 | 98.3 Ų | 98.3 | 34% | 0.339 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -95 | 60.5 | -175.8 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | W181 | W181-V185 HydrophobicContact CB-CG2 3.71Å; W181-V185 HydrophobicContact CD2-CG2 3.31Å; W181-V185 HydrophobicContact CE3-CB 4.27Å; W181-V185 HydrophobicContact CE3-CG1 4.09Å; W181-V185 HydrophobicContact CE3-CG2 3.1Å; W181-V185 HydrophobicContact CG-CG2 3.65Å; W181-V185 HydrophobicContact CH2-CG2 4.32Å; W181-V185 HydrophobicContact CZ3-CG1 4.01Å; W181-V185 HydrophobicContact CZ3-CG2 3.64Å; W181-V185 WeakPolarHBondContact O-CG2 3.45Å; W181-V185 PolarHBondContact O-N 3.15Å |
| 186 | F | 28.7 | Very low | 40.4 | Very low | 126 Ų | 126 | 95.6 Ų | 95.6 | 55% | 0.553 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | 55.5 | 162.4 | -164.8 | -72.8 | -112.6 | 0 | 0 | 0 | 112.7 | F184 F188 | F184-F186 VanDerWaalsContact C-N 3.32Å; F184-F186 PolarHBondContact O-N 2.88Å; F184-F186 VanDerWaalsContact O-N 3.16Å; F186-F188 HydrophobicContact CB-CB 3.74Å; F186-F188 HydrophobicContact CB-CD2 4.28Å; F186-F188 HydrophobicContact CB-CG 4.45Å; F186-F188 HydrophobicContact CD1-CD2 4.49Å; F186-F188 PolarHBondContact O-N 3.09Å |
| 187 | P | 27.1 | Very low | 42.2 | Very low | 111 Ų | 111 | 91.4 Ų | 91.4 | 72% | 0.721 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -73.1 | 46.8 | 155.7 | 32.7 | -33.4 | 0 | 0 | 0 | 110.8 | ||
| 188 | F | 30.6 | Very low | 44.1 | Very low | 89 Ų | 89 | 85 Ų | 85 | 39% | 0.39 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -112.4 | 7.6 | -180 | -104 | -96.9 | 0 | 0 | 0 | 115.5 | F186 D246 T248 | F186-F188 HydrophobicContact CB-CB 3.74Å; F186-F188 HydrophobicContact CB-CD2 4.28Å; F186-F188 HydrophobicContact CB-CG 4.45Å; F186-F188 HydrophobicContact CD1-CD2 4.49Å; F186-F188 PolarHBondContact O-N 3.09Å; F188-D246 HydrophobicContact CE2-CB 3.62Å; F188-D246 WeakPolarHBondContact CE2-O 3.49Å; F188-D246 VanDerWaalsContact CZ-C 3.43Å; F188-D246 HydrophobicContact CZ-CB 3.59Å; F188-D246 WeakPolarHBondContact CZ-O 3.41Å; F188-T248 HydrophobicContact CE1-CG2 3.44Å; F188-T248 VanDerWaalsContact CE1-CG2 3.44Å; F188-T248 HydrophobicContact CZ-CG2 3.49Å; F188-T248 VanDerWaalsContact CZ-CG2 3.49Å |
| 189 | S | 28.9 | Very low | 45.8 | Very low | 60 Ų | 60 | 86 Ų | 86 | 42% | 0.42 | 46% | 0.456 | S | S | . | . | trans | -111.9 | 44.7 | 144.3 | -132.8 | 0 | 0 | 0 | 0 | 110.9 | T191 | S189-T191 PolarHBondContact O-N 3.25Š| ||
| 190 | G | 35.2 | Very low | 48 | Very low | 55 Ų | 55 | 82 Ų | 82 | 57% | 0.567 | 44% | 0.436 | S | S | * | . | trans | -59.2 | 69.3 | 135.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | L192 | G190-L192 PolarHBondContact O-N 2.92Š| ||
| 191 | T | 39.9 | Very low | 50 | Low | 90 Ų | 90 | 76 Ų | 76 | 55% | 0.552 | 41% | 0.409 | S | S | * | . | trans | -55.2 | 95.9 | 156.2 | 31.9 | 0 | 0 | 0 | 0 | 103.8 | S189 N193 | S189-T191 PolarHBondContact O-N 3.25Å; T191-N193 PolarHBondContact O-N 2.77Å | ||
| 192 | L | 49.7 | Very low | 52 | Low | 61 Ų | 61 | 72.3 Ų | 72.3 | 32% | 0.319 | 40% | 0.395 | S | S | . | . | trans | -49.5 | 113.4 | 174.5 | -69.9 | 168.1 | 0 | 0 | 0 | 103.7 | V132 G190 W194 | V132-L192 HydrophobicContact CG1-CB 3.85Å; V132-L192 HydrophobicContact CG1-CD2 3.82Å; V132-L192 HydrophobicContact CG1-CG 4.44Å; V132-L192 HydrophobicContact CG2-CB 3.94Å; V132-L192 HydrophobicContact CG2-CD2 4.42Å; G190-L192 PolarHBondContact O-N 2.92Å; L192-W194 HydrophobicContact CB-CD2 4.35Å; L192-W194 HydrophobicContact CB-CG 4.44Å; L192-W194 HydrophobicContact CB-CZ2 4.4Å; L192-W194 HydrophobicContact CD1-CZ2 3.78Å; L192-W194 PolarHBondContact O-N 3.08Å | ||
| 193 | N | 56.1 | Low | 54 | Low | 73 Ų | 73 | 68.1 Ų | 68.1 | 39% | 0.39 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 72.2 | -174.9 | -93.1 | -43 | 0 | 0 | 0 | 107.1 | R133 T191 L195 | R133-N193 HydrophobicContact CB-CB 3.87Å; R133-N193 PolarHBondContact N-O 2.95Å; T191-N193 PolarHBondContact O-N 2.77Å; N193-L195 PolarHBondContact O-N 3.15Å |
| 194 | W | 69.5 | Low | 56.1 | Low | 79 Ų | 79 | 64.7 Ų | 64.7 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 122.5 | 179.6 | -69.9 | 112 | 0 | 0 | 0 | 106.3 | L131 V132 L192 D196 R215 K217 | L131-W194 WeakPolarHBondContact O-CA 3.49Å; V132-W194 HydrophobicContact CG2-CD2 3.79Å; V132-W194 HydrophobicContact CG2-CE3 3.33Å; V132-W194 HydrophobicContact CG2-CH2 4Å; V132-W194 HydrophobicContact CG2-CZ2 4.37Å; V132-W194 HydrophobicContact CG2-CZ3 3.45Å; V132-W194 VanDerWaalsContact CG2-CZ3 3.45Å; L192-W194 HydrophobicContact CB-CD2 4.35Å; L192-W194 HydrophobicContact CB-CG 4.44Å; L192-W194 HydrophobicContact CB-CZ2 4.4Å; L192-W194 HydrophobicContact CD1-CZ2 3.78Å; L192-W194 PolarHBondContact O-N 3.08Å; W194-D196 PolarHBondContact O-N 3.06Å; W194-R215 HydrophobicContact CH2-CB 3.66Å; W194-R215 HydrophobicContact CZ3-CB 3.95Å; W194-K217 HydrophobicContact CD2-CD 4.25Å; W194-K217 HydrophobicContact CD2-CG 4.21Å; W194-K217 HydrophobicContact CE3-CB 4.18Å; W194-K217 HydrophobicContact CE3-CD 4.19Å; W194-K217 HydrophobicContact CE3-CG 4.23Å; W194-K217 HydrophobicContact CH2-CB 3.74Å; W194-K217 HydrophobicContact CH2-CG 4.25Å; W194-K217 HydrophobicContact CZ2-CB 4.18Å; W194-K217 HydrophobicContact CZ2-CG 4.23Å; W194-K217 HydrophobicContact CZ3-CB 3.75Å; W194-K217 HydrophobicContact CZ3-CG 4.26Å |
| 195 | L | 73.1 | Confident | 57.8 | Low | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 122.2 | 177.5 | -71.8 | 161.7 | 0 | 0 | 0 | 108.6 | V110 L131 N193 H197 L201 Q204 V206 V212 | V110-L195 HydrophobicContact CG1-CB 4Å; V110-L195 HydrophobicContact CG2-CB 4.15Å; L131-L195 HydrophobicContact CB-CD1 3.68Å; L131-L195 HydrophobicContact CD1-CD1 4.24Å; L131-L195 PolarHBondContact O-N 3.14Å; N193-L195 PolarHBondContact O-N 3.15Å; L195-H197 PolarHBondContact O-N 3.25Å; L195-H197 PolarHBondContact O-ND1 3.13Å; L195-L201 HydrophobicContact CD1-CD2 3.99Å; L195-Q204 VanDerWaalsContact CA-OE1 3.23Å; L195-Q204 HydrophobicContact CD2-CB 3.81Å; L195-Q204 HydrophobicContact CD2-CG 4.4Å; L195-Q204 VanDerWaalsContact CD2-OE1 3.29Å; L195-V206 HydrophobicContact CD1-CG2 4.21Å; L195-V206 HydrophobicContact CD2-CG2 3.52Å; L195-V212 HydrophobicContact CD1-CG1 3.88Å |
| 196 | D | 72.4 | Confident | 59.8 | Low | 55 Ų | 55 | 60.2 Ų | 60.2 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 120.2 | 177.6 | -178.6 | -14.2 | 0 | 0 | 0 | 108.8 | W194 S198 K199 Q204 | W194-D196 PolarHBondContact O-N 3.06Å; D196-S198 VanDerWaalsContact CG-OG 3.25Å; D196-S198 PolarHBondContact O-N 3.13Å; D196-S198 WeakPolarHBondContact OD1-CB 3.26Å; D196-S198 PolarHBondContact OD1-N 3.28Å; D196-S198 PolarHBondContact OD1-OG 3.3Å; D196-S198 PolarHBondContact OD2-OG 3.4Å; D196-K199 HydrophobicContact CB-CD 4.34Å; D196-K199 PolarHBondContact O-N 2.98Å; D196-K199 WeakPolarHBondContact OD2-CD 3.29Å; D196-K199 VanDerWaalsContact OD2-CE 3.29Å; D196-K199 WeakPolarHBondContact OD2-CE 3.23Å; D196-K199 IonicContact OD2-NZ 2.73Å; D196-K199 PolarHBondContact OD2-NZ 3.07Å; D196-Q204 PolarHBondContact O-NE2 2.99Å |
| 197 | H | 75.2 | Confident | 61.7 | Low | 54 Ų | 54 | 59 Ų | 59 | 25% | 0.25 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.3 | -173 | -63.6 | 24.8 | 0 | 0 | 0 | 112.4 | G111 S130 L195 K217 | G111-H197 PolarHBondContact N-O 2.95Å; S130-H197 PolarHBondContact OG-CE1 2.84Å; L195-H197 PolarHBondContact O-N 3.25Å; L195-H197 PolarHBondContact O-ND1 3.13Å; H197-K217 PolarHBondContact CE1-NZ 3.23Å |
| 198 | S | 74 | Confident | 63.8 | Low | 88 Ų | 88 | 58.1 Ų | 58.1 | 62% | 0.615 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -17 | -179 | 69.1 | 0 | 0 | 0 | 0 | 114.3 | D196 | D196-S198 VanDerWaalsContact CG-OG 3.25Å; D196-S198 PolarHBondContact O-N 3.13Å; D196-S198 WeakPolarHBondContact OD1-CB 3.26Å; D196-S198 PolarHBondContact OD1-N 3.28Å; D196-S198 PolarHBondContact OD1-OG 3.3Å; D196-S198 PolarHBondContact OD2-OG 3.4Å |
| 199 | K | 72.3 | Confident | 65.7 | Low | 95 Ų | 95 | 57.9 Ų | 57.9 | 41% | 0.413 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -111.1 | 154.7 | -174.2 | -66.2 | 172.7 | -173.8 | 134.2 | 0 | 111.8 | P109 V110 D196 E203 Q204 | P109-K199 WeakPolarHBondContact CA-O 3.44Å; V110-K199 WeakPolarHBondContact CG2-O 3.31Å; V110-K199 PolarHBondContact N-O 2.82Å; D196-K199 HydrophobicContact CB-CD 4.34Å; D196-K199 PolarHBondContact O-N 2.98Å; D196-K199 WeakPolarHBondContact OD2-CD 3.29Å; D196-K199 VanDerWaalsContact OD2-CE 3.29Å; D196-K199 WeakPolarHBondContact OD2-CE 3.23Å; D196-K199 IonicContact OD2-NZ 2.73Å; D196-K199 PolarHBondContact OD2-NZ 3.07Å; K199-E203 HydrophobicContact CB-CB 4.26Å; K199-Q204 HydrophobicContact CB-CG 3.84Å; K199-Q204 HydrophobicContact CD-CG 4.32Å; K199-Q204 PolarHBondContact O-NE2 2.96Å |
| 200 | T | 78.9 | Confident | 67.8 | Low | 16 Ų | 16 | 57.1 Ų | 57.1 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -68.7 | 164.2 | 170.4 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | R202 E203 Q204 | T200-R202 PolarHBondContact O-N 3.48Å; T200-E203 WeakPolarHBondContact CB-OE2 3.34Å; T200-E203 WeakPolarHBondContact CG2-OE2 3.01Å; T200-E203 PolarHBondContact N-OE2 2.79Å; T200-E203 VanDerWaalsContact OG1-CD 3.26Å; T200-E203 VanDerWaalsContact OG1-CG 3.29Å; T200-E203 WeakPolarHBondContact OG1-CG 3.5Å; T200-E203 PolarHBondContact OG1-N 3.38Å; T200-E203 PolarHBondContact OG1-OE2 3.19Å; T200-Q204 WeakPolarHBondContact O-CG 3.37Å; T200-Q204 PolarHBondContact O-N 3.06Å; T200-Q204 PolarHBondContact O-NE2 3.13Å |
| 201 | L | 78.2 | Confident | 69.7 | Low | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -27.1 | 176.2 | -69.1 | 167.9 | 0 | 0 | 0 | 112.8 | R88 L90 V110 L113 L195 G205 V206 | R88-L201 VanDerWaalsContact NH1-CB 3.3Å; L90-L201 HydrophobicContact CD1-CD1 4.21Å; L90-L201 HydrophobicContact CD2-CD1 4.08Å; V110-L201 HydrophobicContact CG2-CD2 3.78Å; V110-L201 HydrophobicContact CG2-CG 4.17Å; L113-L201 HydrophobicContact CD1-CD1 3.78Å; L113-L201 HydrophobicContact CD1-CG 3.81Å; L195-L201 HydrophobicContact CD1-CD2 3.99Å; L201-G205 PolarHBondContact O-N 3.41Å; L201-V206 HydrophobicContact CD2-CG2 4.48Å; L201-V206 PolarHBondContact O-N 3.4Å |
| 202 | R | 74.8 | Confident | 71.6 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -39.5 | -178.4 | -168.1 | 168.4 | -63.3 | -88.7 | -2.8 | 113 | D106 T200 Q204 G205 E208 | D106-R202 IonicContact OD2-CZ 3.6Å; D106-R202 VanDerWaalsContact OD2-CZ 3.23Å; D106-R202 IonicContact OD2-NE 3.59Å; D106-R202 PolarHBondContact OD2-NE 3.19Å; D106-R202 IonicContact OD2-NH2 3.09Å; D106-R202 PolarHBondContact OD2-NH2 2.88Å; T200-R202 PolarHBondContact O-N 3.48Å; R202-Q204 PolarHBondContact O-N 3.32Å; R202-G205 WeakPolarHBondContact O-CA 3.39Å; R202-G205 PolarHBondContact O-N 3.31Å; R202-E208 IonicContact NH2-OE1 3.23Å |
| 203 | E | 74.1 | Confident | 73 | Confident | 78 Ų | 78 | 49.7 Ų | 49.7 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.5 | 171.1 | -71.4 | 162.6 | 141 | 0 | 0 | 112.4 | K199 T200 G205 | K199-E203 HydrophobicContact CB-CB 4.26Å; T200-E203 WeakPolarHBondContact CB-OE2 3.34Å; T200-E203 WeakPolarHBondContact CG2-OE2 3.01Å; T200-E203 PolarHBondContact N-OE2 2.79Å; T200-E203 VanDerWaalsContact OG1-CD 3.26Å; T200-E203 VanDerWaalsContact OG1-CG 3.29Å; T200-E203 WeakPolarHBondContact OG1-CG 3.5Å; T200-E203 PolarHBondContact OG1-N 3.38Å; T200-E203 PolarHBondContact OG1-OE2 3.19Å; E203-G205 VanDerWaalsContact C-N 3.33Å |
| 204 | Q | 75.4 | Confident | 74.1 | Confident | 38 Ų | 38 | 46.6 Ų | 46.6 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 2.8 | 174.9 | -60.6 | -174.2 | 71.1 | 0 | 0 | 113 | R133 L195 D196 K199 T200 R202 V206 | R133-Q204 PolarHBondContact NH1-O 3.03Å; L195-Q204 VanDerWaalsContact CA-OE1 3.23Å; L195-Q204 HydrophobicContact CD2-CB 3.81Å; L195-Q204 HydrophobicContact CD2-CG 4.4Å; L195-Q204 VanDerWaalsContact CD2-OE1 3.29Å; D196-Q204 PolarHBondContact O-NE2 2.99Å; K199-Q204 HydrophobicContact CB-CG 3.84Å; K199-Q204 HydrophobicContact CD-CG 4.32Å; K199-Q204 PolarHBondContact O-NE2 2.96Å; T200-Q204 WeakPolarHBondContact O-CG 3.37Å; T200-Q204 PolarHBondContact O-N 3.06Å; T200-Q204 PolarHBondContact O-NE2 3.13Å; R202-Q204 PolarHBondContact O-N 3.32Å; Q204-V206 VanDerWaalsContact C-N 3.34Å; Q204-V206 HydrophobicContact CB-CG2 4.43Å; Q204-V206 PolarHBondContact O-N 3.07Å |
| 205 | G | 69.4 | Low | 74.1 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 28.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R133 L201 R202 E203 | R133-G205 PolarHBondContact NH1-O 3.05Å; R133-G205 VanDerWaalsContact NH1-O 3.14Å; R133-G205 PolarHBondContact NH2-O 3.17Å; L201-G205 PolarHBondContact O-N 3.41Å; R202-G205 WeakPolarHBondContact O-CA 3.39Å; R202-G205 PolarHBondContact O-N 3.31Å; E203-G205 VanDerWaalsContact C-N 3.33Å |
| 206 | V | 71.9 | Confident | 74 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | trans | -82.1 | 130.7 | 174.9 | -170.5 | 0 | 0 | 0 | 0 | 109.1 | R88 L195 L201 Q204 E210 V212 | R88-V206 PolarHBondContact NH1-O 2.75Å; R88-V206 VanDerWaalsContact NH1-O 3.12Å; R88-V206 PolarHBondContact NH2-O 3.28Å; L195-V206 HydrophobicContact CD1-CG2 4.21Å; L195-V206 HydrophobicContact CD2-CG2 3.52Å; L201-V206 HydrophobicContact CD2-CG2 4.48Å; L201-V206 PolarHBondContact O-N 3.4Å; Q204-V206 VanDerWaalsContact C-N 3.34Å; Q204-V206 HydrophobicContact CB-CG2 4.43Å; Q204-V206 PolarHBondContact O-N 3.07Å; V206-E210 WeakPolarHBondContact CA-OE2 3.47Å; V206-E210 HydrophobicContact CG1-CB 4.28Å; V206-V212 HydrophobicContact CG1-CG1 4.15Å | ||
| 207 | D | 69.8 | Low | 73.7 | Confident | 100 Ų | 100 | 45.4 Ų | 45.4 | 54% | 0.535 | 24% | 0.239 | S | C | . | . | trans | -89.3 | 168.3 | -179 | -147.1 | -37.6 | 0 | 0 | 0 | 113 | R88 S209 E210 | R88-D207 VanDerWaalsContact NH2-C 3.27Å; R88-D207 PolarHBondContact NH2-O 2.85Å; D207-S209 VanDerWaalsContact C-N 3.29Å; D207-S209 PolarHBondContact O-N 3.39Å; D207-E210 HydrophobicContact CB-CB 4.48Å; D207-E210 PolarHBondContact N-OE2 3.3Å | ||
| 208 | E | 70.6 | Confident | 72.9 | Confident | 93 Ų | 93 | 47.8 Ų | 47.8 | 44% | 0.435 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -72.6 | -21 | 178.6 | -67.4 | 179.5 | -161.1 | 0 | 0 | 113.1 | R88 R202 | R88-E208 HydrophobicContact CG-CG 4.27Å; R202-E208 IonicContact NH2-OE1 3.23Å |
| 209 | S | 70.1 | Confident | 72.2 | Confident | 84 Ų | 84 | 46.8 Ų | 46.8 | 59% | 0.587 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -84.8 | -20.1 | 178 | 58 | 0 | 0 | 0 | 0 | 113.9 | D207 | D207-S209 VanDerWaalsContact C-N 3.29Å; D207-S209 PolarHBondContact O-N 3.39Å |
| 210 | E | 73.4 | Confident | 71.1 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 21% | 0.206 | 24% | 0.242 | C | C | . | . | trans | -81.2 | 134.7 | -164.8 | -158.5 | 170.4 | -169.3 | 0 | 0 | 112.8 | R133 V206 D207 | R133-E210 IonicContact CZ-OE1 3.67Å; R133-E210 VanDerWaalsContact CZ-OE1 3.22Å; R133-E210 IonicContact CZ-OE2 3.43Å; R133-E210 IonicContact NE-OE1 3.59Å; R133-E210 PolarHBondContact NE-OE1 3.46Å; R133-E210 IonicContact NE-OE2 3.48Å; R133-E210 IonicContact NH2-OE1 2.72Å; R133-E210 PolarHBondContact NH2-OE1 3.14Å; R133-E210 IonicContact NH2-OE2 3.07Å; R133-E210 PolarHBondContact NH2-OE2 2.88Å; V206-E210 WeakPolarHBondContact CA-OE2 3.47Å; V206-E210 HydrophobicContact CG1-CB 4.28Å; D207-E210 HydrophobicContact CB-CB 4.48Å; D207-E210 PolarHBondContact N-OE2 3.3Å | ||
| 211 | T | 75.3 | Confident | 70 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 17% | 0.172 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133 | 173 | 27.7 | 0 | 0 | 0 | 0 | 111.6 | K91 V99 E134 | K91-T211 HydrophobicContact CB-CG2 3.54Å; K91-T211 HydrophobicContact CD-CG2 4.22Å; K91-T211 WeakPolarHBondContact O-CA 3.48Å; V99-T211 HydrophobicContact CG1-CG2 3.89Å; V99-T211 HydrophobicContact CG2-CG2 4.49Å; E134-T211 PolarHBondContact OE2-OG1 3.01Å |
| 212 | V | 79.8 | Confident | 68.9 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.3 | 172 | -73.2 | 0 | 0 | 0 | 0 | 109.9 | L90 K91 V92 R93 L131 V132 L195 V206 | L90-V212 HydrophobicContact CD1-CG2 3.71Å; L90-V212 HydrophobicContact CD2-CG2 3.97Å; L90-V212 HydrophobicContact CG-CG2 3.8Å; K91-V212 WeakPolarHBondContact O-CG2 3.48Å; K91-V212 PolarHBondContact O-N 3.16Å; V92-V212 CarbonylContact C-O 3.56Å; V92-V212 VanDerWaalsContact CA-O 3.29Å; V92-V212 WeakPolarHBondContact CA-O 3.43Å; V92-V212 HydrophobicContact CG2-CG2 4.12Å; R93-V212 PolarHBondContact N-O 3.28Å; L131-V212 HydrophobicContact CB-CB 4.29Å; L131-V212 HydrophobicContact CD1-CG2 4.07Å; L131-V212 HydrophobicContact CD2-CB 4.19Å; L131-V212 HydrophobicContact CD2-CG2 3.77Å; L131-V212 HydrophobicContact CG-CG2 4.34Å; V132-V212 CarbonylContact O-C 3.08Å; V132-V212 WeakPolarHBondContact O-CA 3.48Å; L195-V212 HydrophobicContact CD1-CG1 3.88Å; V206-V212 HydrophobicContact CG1-CG1 4.15Å |
| 213 | L | 77.7 | Confident | 68 | Low | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.12 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 133 | -179.7 | -174.2 | 76.8 | 0 | 0 | 0 | 110 | R93 L95 L131 V132 R215 | R93-L213 HydrophobicContact CB-CD1 4.13Å; R93-L213 HydrophobicContact CG-CD1 4.14Å; R93-L213 WeakPolarHBondContact O-CA 3.46Å; L95-L213 HydrophobicContact CD2-CD1 4.3Å; L95-L213 HydrophobicContact CD2-CD2 4.14Å; L95-L213 HydrophobicContact CD2-CG 4.41Å; L131-L213 CarbonylContact C-O 3.49Å; L131-L213 WeakPolarHBondContact CA-O 3.49Å; V132-L213 HydrophobicContact CB-CB 4.37Å; V132-L213 PolarHBondContact N-O 3.21Å; V132-L213 PolarHBondContact O-N 3.44Å; L213-R215 HydrophobicContact CD2-CG 3.96Å; L213-R215 HydrophobicContact CG-CG 4.41Å |
| 214 | L | 79.5 | Confident | 67 | Low | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 119.1 | 171 | -170.6 | 72.9 | 0 | 0 | 0 | 110.3 | V92 R93 M94 M114 I117 I121 I123 Y129 L131 | V92-L214 HydrophobicContact CG1-CB 3.85Å; R93-L214 PolarHBondContact O-N 3.26Å; M94-L214 HydrophobicContact SD-CD2 4.42Å; M114-L214 HydrophobicContact SD-CD1 4.24Å; I117-L214 HydrophobicContact CG2-CD1 4.45Å; I121-L214 HydrophobicContact CD1-CD2 3.71Å; I123-L214 HydrophobicContact CD1-CD2 3.74Å; Y129-L214 HydrophobicContact CD1-CD2 4.44Å; Y129-L214 HydrophobicContact CD1-CG 4.28Å; L131-L214 HydrophobicContact CD2-CD1 4.08Å |
| 215 | R | 70.5 | Confident | 66.1 | Low | 42 Ų | 42 | 61.4 Ų | 61.4 | 16% | 0.158 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 153.3 | 174.5 | -90.2 | -173.4 | 164.9 | 178.2 | -4.7 | 111.4 | L95 S130 V132 W194 L213 K217 D242 | L95-R215 HydrophobicContact CD1-CG 4.22Å; L95-R215 HydrophobicContact CD2-CG 3.74Å; L95-R215 HydrophobicContact CG-CG 4.32Å; S130-R215 PolarHBondContact N-O 3.48Å; S130-R215 PolarHBondContact O-N 3.01Å; S130-R215 VanDerWaalsContact O-O 3.08Å; V132-R215 HydrophobicContact CG2-CB 4.42Å; W194-R215 HydrophobicContact CH2-CB 3.66Å; W194-R215 HydrophobicContact CZ3-CB 3.95Å; L213-R215 HydrophobicContact CD2-CG 3.96Å; L213-R215 HydrophobicContact CG-CG 4.41Å; R215-K217 PolarHBondContact O-N 2.86Å; R215-D242 IonicContact NH2-OD2 3.75Å |
| 216 | R | 70.8 | Confident | 65.5 | Low | 9 Ų | 9 | 63.4 Ų | 63.4 | 3% | 0.034 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 121.3 | 170.1 | -159.1 | 174.4 | 179.8 | -145.6 | -2.8 | 108.4 | E128 Y129 D222 Q239 | E128-R216 HydrophobicContact CB-CG 4.07Å; E128-R216 CarbonylContact O-C 3.59Å; E128-R216 WeakPolarHBondContact O-CA 3.49Å; E128-R216 VanDerWaalsContact O-CG 3.3Å; E128-R216 WeakPolarHBondContact O-CG 3.47Å; E128-R216 IonicContact OE1-CZ 2.94Å; E128-R216 IonicContact OE1-NH2 3.94Å; E128-R216 PolarHBondContact OE1-NH2 3.29Å; E128-R216 IonicContact OE2-CZ 2.75Å; E128-R216 VanDerWaalsContact OE2-CZ 3.3Å; E128-R216 IonicContact OE2-NE 2.7Å; E128-R216 PolarHBondContact OE2-NE 3.34Å; E128-R216 IonicContact OE2-NH2 3.24Å; E128-R216 PolarHBondContact OE2-NH2 2.87Å; Y129-R216 HydrophobicContact CD1-CB 4.24Å; Y129-R216 HydrophobicContact CD2-CG 4.42Å; Y129-R216 HydrophobicContact CE1-CB 4.06Å; Y129-R216 HydrophobicContact CE1-CG 4.41Å; Y129-R216 HydrophobicContact CE2-CG 4.2Å; R216-D222 IonicContact CZ-OD1 2.61Å; R216-D222 IonicContact NH1-OD1 2.93Å; R216-D222 PolarHBondContact NH1-OD1 3.23Å; R216-D222 IonicContact NH2-OD1 3.57Å; R216-D222 PolarHBondContact NH2-OD1 3.19Å; R216-Q239 PolarHBondContact O-NE2 3.37Å |
| 217 | K | 67 | Low | 64.9 | Low | 63 Ų | 63 | 66.4 Ų | 66.4 | 27% | 0.274 | 34% | 0.341 | S | S | . | . | trans | -94.4 | -33.6 | -176.4 | -178.1 | 177.1 | 173.5 | -176.6 | 0 | 112.7 | E128 W194 H197 R215 | E128-K217 PolarHBondContact O-N 2.83Å; W194-K217 HydrophobicContact CD2-CD 4.25Å; W194-K217 HydrophobicContact CD2-CG 4.21Å; W194-K217 HydrophobicContact CE3-CB 4.18Å; W194-K217 HydrophobicContact CE3-CD 4.19Å; W194-K217 HydrophobicContact CE3-CG 4.23Å; W194-K217 HydrophobicContact CH2-CB 3.74Å; W194-K217 HydrophobicContact CH2-CG 4.25Å; W194-K217 HydrophobicContact CZ2-CB 4.18Å; W194-K217 HydrophobicContact CZ2-CG 4.23Å; W194-K217 HydrophobicContact CZ3-CB 3.75Å; W194-K217 HydrophobicContact CZ3-CG 4.26Å; H197-K217 PolarHBondContact CE1-NZ 3.23Å; R215-K217 PolarHBondContact O-N 2.86Å | ||
| 218 | F | 58 | Low | 64.6 | Low | 103 Ų | 103 | 71.5 Ų | 71.5 | 45% | 0.452 | 35% | 0.353 | S | S | . | . | trans | -127.2 | 125.9 | -178.4 | -59.1 | -69.2 | 0 | 0 | 0 | 110.5 | E128 F220 | E128-F218 WeakPolarHBondContact CB-O 3.43Å; E128-F218 PolarHBondContact O-N 3.47Å; F218-F220 PolarHBondContact O-N 3.04Å | ||
| 219 | F | 58.2 | Low | 64.3 | Low | 67 Ų | 67 | 70.2 Ų | 70.2 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | trans | -96.5 | 74 | 175.9 | -62.1 | -89.9 | 0 | 0 | 0 | 109.3 | L236 Y349 | F219-L236 HydrophobicContact CE1-CD1 4.26Å; F219-Y349 HydrophobicContact CD1-CE1 4.4Å; F219-Y349 AromaticContact CD1-CZ 3.95Å; F219-Y349 VanDerWaalsContact CD1-OH 3.25Å; F219-Y349 WeakPolarHBondContact CD1-OH 3.21Å; F219-Y349 WeakPolarHBondContact CE1-OH 3.23Å | ||
| 220 | F | 50.4 | Low | 64 | Low | 134 Ų | 134 | 69.4 Ų | 69.4 | 59% | 0.588 | 34% | 0.342 | S | S | * | . | trans | -105.9 | -25.9 | -172.4 | -150.6 | -88.5 | 0 | 0 | 0 | 113.5 | E128 F218 K461 | E128-F220 PolarHBondContact OE1-N 3.21Å; F218-F220 PolarHBondContact O-N 3.04Å; F220-K461 VanDerWaalsContact CZ-NZ 3.31Å | ||
| 221 | S | 54.4 | Low | 63.5 | Low | 60 Ų | 60 | 71.7 Ų | 71.7 | 42% | 0.42 | 36% | 0.359 | S | S | . | . | trans | -125.1 | 49.4 | -168.9 | -54.6 | 0 | 0 | 0 | 0 | 114.2 | E128 Q223 | E128-S221 WeakPolarHBondContact OE1-CB 3.38Å; E128-S221 PolarHBondContact OE1-N 2.87Å; S221-Q223 PolarHBondContact O-N 3.4Å; S221-Q223 VanDerWaalsContact O-N 3.12Å | ||
| 222 | D | 55.4 | Low | 63.2 | Low | 26 Ų | 26 | 72.8 Ų | 72.8 | 14% | 0.139 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -75.8 | 6.8 | -173.3 | -73.3 | -15.1 | 0 | 0 | 0 | 116.1 | R216 R344 | R216-D222 IonicContact CZ-OD1 2.61Å; R216-D222 IonicContact NH1-OD1 2.93Å; R216-D222 PolarHBondContact NH1-OD1 3.23Å; R216-D222 IonicContact NH2-OD1 3.57Å; R216-D222 PolarHBondContact NH2-OD1 3.19Å; D222-R344 PolarHBondContact O-NH1 3.07Å; D222-R344 PolarHBondContact O-NH2 3.43Å |
| 223 | Q | 56.4 | Low | 63 | Low | 185 Ų | 185 | 73.1 Ų | 73.1 | 86% | 0.864 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -79.2 | -16.8 | -178.3 | -76.1 | 178.1 | -21.5 | 0 | 0 | 114.7 | S221 | S221-Q223 PolarHBondContact O-N 3.4Å; S221-Q223 VanDerWaalsContact O-N 3.12Å |
| 224 | N | 53.4 | Low | 62.8 | Low | 141 Ų | 141 | 73.8 Ų | 73.8 | 75% | 0.754 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -112.8 | 30 | -168 | -70.1 | -3.9 | 0 | 0 | 0 | 115.5 | D226 | N224-D226 PolarHBondContact O-N 3.04Š|
| 225 | I | 56.2 | Low | 62.5 | Low | 45 Ų | 45 | 74.4 Ų | 74.4 | 23% | 0.231 | 37% | 0.371 | C | S | . | . | trans | -83.8 | 92.7 | 176.6 | -52.8 | 178.2 | 0 | 0 | 0 | 109.3 | L233 L236 | I225-L233 HydrophobicContact CG2-CD1 4.06Å; I225-L236 HydrophobicContact CD1-CD2 3.4Å; I225-L236 VanDerWaalsContact CD1-CD2 3.4Å | ||
| 226 | D | 56 | Low | 62.7 | Low | 70 Ų | 70 | 72.9 Ų | 72.9 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | trans | -88.1 | 145.4 | 177.2 | -164.4 | -8.1 | 0 | 0 | 0 | 110.6 | N224 R228 D229 | N224-D226 PolarHBondContact O-N 3.04Å; D226-R228 HydrophobicContact CB-CB 4.5Å; D226-R228 PolarHBondContact O-N 3.26Å; D226-R228 IonicContact OD1-NE 2.92Å; D226-R228 WeakPolarHBondContact OD2-CD 3.36Å; D226-R228 IonicContact OD2-CZ 3.92Å; D226-R228 VanDerWaalsContact OD2-CZ 3.24Å; D226-R228 IonicContact OD2-NE 2.86Å; D226-R228 PolarHBondContact OD2-NE 3Å; D226-R228 IonicContact OD2-NH1 3.37Å; D226-R228 PolarHBondContact OD2-NH1 3.43Å; D226-D229 PolarHBondContact O-N 3.48Å | ||
| 227 | S | 60.1 | Low | 63.3 | Low | 70 Ų | 70 | 72.8 Ų | 72.8 | 49% | 0.49 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -5.3 | 178.2 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 228 | R | 64.4 | Low | 63.9 | Low | 207 Ų | 207 | 70.4 Ų | 70.4 | 78% | 0.781 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -17.9 | 178.2 | -60.2 | -179.8 | -168.2 | 149.8 | -6.2 | 114.5 | D226 P230 | D226-R228 HydrophobicContact CB-CB 4.5Å; D226-R228 PolarHBondContact O-N 3.26Å; D226-R228 IonicContact OD1-NE 2.92Å; D226-R228 WeakPolarHBondContact OD2-CD 3.36Å; D226-R228 IonicContact OD2-CZ 3.92Å; D226-R228 VanDerWaalsContact OD2-CZ 3.24Å; D226-R228 IonicContact OD2-NE 2.86Å; D226-R228 PolarHBondContact OD2-NE 3Å; D226-R228 IonicContact OD2-NH1 3.37Å; D226-R228 PolarHBondContact OD2-NH1 3.43Å; R228-P230 WeakPolarHBondContact O-CD 3.48Å |
| 229 | D | 64.2 | Low | 64.7 | Low | 65 Ų | 65 | 66.8 Ų | 66.8 | 35% | 0.348 | 34% | 0.34 | S | S | . | . | trans | -108 | 86.9 | 172.5 | -164.8 | -30.4 | 0 | 0 | 0 | 111.1 | D226 V231 Q232 L233 | D226-D229 PolarHBondContact O-N 3.48Å; D229-V231 PolarHBondContact O-N 3Å; D229-V231 WeakPolarHBondContact OD1-CA 3.19Å; D229-V231 WeakPolarHBondContact OD1-CB 3.4Å; D229-V231 PolarHBondContact OD1-N 2.9Å; D229-Q232 HydrophobicContact CB-CB 4.09Å; D229-Q232 PolarHBondContact O-N 3.18Å; D229-Q232 PolarHBondContact OD1-N 3.08Å; D229-L233 WeakPolarHBondContact O-CB 3.36Å; D229-L233 PolarHBondContact O-N 2.79Å | ||
| 230 | P | 62.2 | Low | 65.7 | Low | 68 Ų | 68 | 63.7 Ų | 63.7 | 44% | 0.442 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.7 | -19 | 178.5 | 28.6 | -35.9 | 0 | 0 | 0 | 112.7 | R228 N234 L333 | R228-P230 WeakPolarHBondContact O-CD 3.48Å; P230-N234 WeakPolarHBondContact O-CB 3.35Å; P230-N234 PolarHBondContact O-N 2.86Å; P230-L333 HydrophobicContact CB-CD1 3.97Å |
| 231 | V | 64.5 | Low | 67.2 | Low | 92 Ų | 92 | 60.1 Ų | 60.1 | 56% | 0.558 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -77.9 | -49.5 | 178.5 | -178 | 0 | 0 | 0 | 0 | 109.6 | D229 L233 N234 L235 | D229-V231 PolarHBondContact O-N 3Å; D229-V231 WeakPolarHBondContact OD1-CA 3.19Å; D229-V231 WeakPolarHBondContact OD1-CB 3.4Å; D229-V231 PolarHBondContact OD1-N 2.9Å; V231-L233 VanDerWaalsContact C-N 3.34Å; V231-L233 PolarHBondContact O-N 2.72Å; V231-N234 PolarHBondContact O-N 2.7Å; V231-L235 HydrophobicContact CG1-CD1 4.16Å; V231-L235 WeakPolarHBondContact O-CB 3.3Å; V231-L235 VanDerWaalsContact O-CG 3.27Å; V231-L235 WeakPolarHBondContact O-CG 3.32Å; V231-L235 PolarHBondContact O-N 3.13Å |
| 232 | Q | 68.6 | Low | 68.4 | Low | 51 Ų | 51 | 58.7 Ų | 58.7 | 24% | 0.238 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 177 | -166.4 | 178.5 | 17.6 | 0 | 0 | 111.4 | D229 L235 L236 | D229-Q232 HydrophobicContact CB-CB 4.09Å; D229-Q232 PolarHBondContact O-N 3.18Å; D229-Q232 PolarHBondContact OD1-N 3.08Å; Q232-L235 PolarHBondContact O-N 3.42Å; Q232-L236 PolarHBondContact O-N 2.96Å |
| 233 | L | 75 | Confident | 69.4 | Low | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 174.8 | -174.2 | 75.3 | 0 | 0 | 0 | 112 | I225 D229 V231 L236 Y237 L333 K336 V337 V340 | I225-L233 HydrophobicContact CG2-CD1 4.06Å; D229-L233 WeakPolarHBondContact O-CB 3.36Å; D229-L233 PolarHBondContact O-N 2.79Å; V231-L233 VanDerWaalsContact C-N 3.34Å; V231-L233 PolarHBondContact O-N 2.72Å; L233-L236 PolarHBondContact O-N 3.35Å; L233-Y237 WeakPolarHBondContact O-CB 3.43Å; L233-Y237 PolarHBondContact O-N 2.93Å; L233-L333 HydrophobicContact CD2-CD1 4.05Å; L233-K336 HydrophobicContact CD2-CB 4.19Å; L233-V337 HydrophobicContact CD1-CG2 4.29Å; L233-V337 HydrophobicContact CD2-CB 4.46Å; L233-V337 HydrophobicContact CD2-CG2 3.46Å; L233-V337 VanDerWaalsContact CD2-CG2 3.46Å; L233-V340 HydrophobicContact CD1-CB 4.3Å; L233-V340 HydrophobicContact CD1-CG1 4.37Å; L233-V340 HydrophobicContact CD1-CG2 4.18Å |
| 234 | N | 74.2 | Confident | 70.5 | Confident | 38 Ų | 38 | 49 Ų | 49 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 179.5 | -174.4 | 71.9 | 0 | 0 | 0 | 112.4 | P230 V231 L236 Y237 V238 K336 | P230-N234 WeakPolarHBondContact O-CB 3.35Å; P230-N234 PolarHBondContact O-N 2.86Å; V231-N234 PolarHBondContact O-N 2.7Å; N234-L236 VanDerWaalsContact C-N 3.31Å; N234-L236 PolarHBondContact O-N 3.13Å; N234-Y237 PolarHBondContact O-N 2.92Å; N234-V238 WeakPolarHBondContact O-CG2 3.32Å; N234-V238 PolarHBondContact O-N 3.33Å; N234-K336 WeakPolarHBondContact OD1-CE 3.2Å; N234-K336 PolarHBondContact OD1-NZ 3.48Å |
| 235 | L | 72.4 | Confident | 71.8 | Confident | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 174 | -70.3 | 171.1 | 0 | 0 | 0 | 111.4 | L95 V231 Q232 Q239 | L95-L235 HydrophobicContact CB-CD2 3.78Å; L95-L235 HydrophobicContact CD1-CD2 4.4Å; L95-L235 HydrophobicContact CG-CD2 4.49Å; V231-L235 HydrophobicContact CG1-CD1 4.16Å; V231-L235 WeakPolarHBondContact O-CB 3.3Å; V231-L235 VanDerWaalsContact O-CG 3.27Å; V231-L235 WeakPolarHBondContact O-CG 3.32Å; V231-L235 PolarHBondContact O-N 3.13Å; Q232-L235 PolarHBondContact O-N 3.42Å; L235-Q239 WeakPolarHBondContact O-CB 3.18Å; L235-Q239 PolarHBondContact O-N 3.26Å |
| 236 | L | 74.9 | Confident | 72.6 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72 | -40.3 | 177.4 | -166.3 | 66.3 | 0 | 0 | 0 | 112.1 | F219 I225 Q232 L233 N234 V238 Q239 C240 V340 | F219-L236 HydrophobicContact CE1-CD1 4.26Å; I225-L236 HydrophobicContact CD1-CD2 3.4Å; I225-L236 VanDerWaalsContact CD1-CD2 3.4Å; Q232-L236 PolarHBondContact O-N 2.96Å; L233-L236 PolarHBondContact O-N 3.35Å; N234-L236 VanDerWaalsContact C-N 3.31Å; N234-L236 PolarHBondContact O-N 3.13Å; L236-V238 PolarHBondContact O-N 3.34Å; L236-Q239 PolarHBondContact O-N 3.43Å; L236-C240 WeakPolarHBondContact O-CB 3.36Å; L236-C240 PolarHBondContact O-N 3.36Å; L236-C240 PolarHBondContact O-SG 3.38Å; L236-C240 VanDerWaalsContact O-SG 3.32Å; L236-V340 HydrophobicContact CD2-CG1 3.66Å; L236-V340 HydrophobicContact CG-CG1 4.27Å |
| 237 | Y | 82.8 | Confident | 73.2 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56 | -48.9 | 171.7 | 159.9 | -108.4 | 0 | 0 | 0 | 111.5 | L233 N234 Q239 C240 R241 I266 K336 Y339 | L233-Y237 WeakPolarHBondContact O-CB 3.43Å; L233-Y237 PolarHBondContact O-N 2.93Å; N234-Y237 PolarHBondContact O-N 2.92Å; Y237-Q239 PolarHBondContact O-N 3.09Å; Y237-C240 PolarHBondContact O-N 3.32Å; Y237-R241 HydrophobicContact CE2-CB 4.27Å; Y237-R241 VanDerWaalsContact O-CB 3.3Å; Y237-R241 WeakPolarHBondContact O-CB 3.37Å; Y237-R241 PolarHBondContact O-N 2.94Å; Y237-I266 HydrophobicContact CD2-CD1 4.1Å; Y237-I266 HydrophobicContact CE1-CD1 4.47Å; Y237-I266 HydrophobicContact CE1-CG2 4.11Å; Y237-I266 HydrophobicContact CE2-CD1 3.45Å; Y237-I266 VanDerWaalsContact CE2-CD1 3.45Å; Y237-K336 HydrophobicContact CD1-CD 4.12Å; Y237-K336 HydrophobicContact CD1-CG 3.95Å; Y237-K336 HydrophobicContact CD2-CG 4.28Å; Y237-K336 HydrophobicContact CE1-CG 4.39Å; Y237-K336 HydrophobicContact CG-CB 4.47Å; Y237-K336 HydrophobicContact CG-CD 4.46Å; Y237-K336 HydrophobicContact CG-CG 3.89Å; Y237-Y339 AromaticContact CD2-CD1 3.74Å; Y237-Y339 HydrophobicContact CD2-CD1 3.74Å; Y237-Y339 HydrophobicContact CD2-CD2 4.25Å; Y237-Y339 HydrophobicContact CD2-CE1 4.24Å; Y237-Y339 AromaticContact CD2-CG 3.77Å; Y237-Y339 HydrophobicContact CD2-CG 3.77Å; Y237-Y339 AromaticContact CE2-CD1 3.99Å; Y237-Y339 HydrophobicContact CE2-CD1 3.99Å; Y237-Y339 AromaticContact CE2-CD2 3.77Å; Y237-Y339 HydrophobicContact CE2-CD2 3.77Å; Y237-Y339 HydrophobicContact CE2-CE1 4.2Å; Y237-Y339 AromaticContact CE2-CE2 3.98Å; Y237-Y339 HydrophobicContact CE2-CE2 3.98Å; Y237-Y339 AromaticContact CE2-CG 3.79Å; Y237-Y339 HydrophobicContact CE2-CG 3.79Å |
| 238 | V | 79.4 | Confident | 73.6 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 177.4 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | L95 N234 L236 C240 R241 D242 | L95-V238 HydrophobicContact CB-CG1 4.25Å; N234-V238 WeakPolarHBondContact O-CG2 3.32Å; N234-V238 PolarHBondContact O-N 3.33Å; L236-V238 PolarHBondContact O-N 3.34Å; V238-C240 PolarHBondContact O-N 2.95Å; V238-R241 PolarHBondContact O-N 3.48Å; V238-D242 WeakPolarHBondContact O-CB 3.38Å; V238-D242 PolarHBondContact O-N 2.86Å |
| 239 | Q | 75 | Confident | 74 | Confident | 28 Ų | 28 | 34.7 Ų | 34.7 | 13% | 0.131 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -37.6 | 178 | -169.4 | 168.5 | -9.2 | 0 | 0 | 112.9 | L95 R216 L235 L236 Y237 G243 | L95-Q239 HydrophobicContact CD1-CB 4.29Å; R216-Q239 PolarHBondContact O-NE2 3.37Å; L235-Q239 WeakPolarHBondContact O-CB 3.18Å; L235-Q239 PolarHBondContact O-N 3.26Å; L236-Q239 PolarHBondContact O-N 3.43Å; Y237-Q239 PolarHBondContact O-N 3.09Å; Q239-G243 PolarHBondContact O-N 3.41Å |
| 240 | C | 79.3 | Confident | 74.5 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.4 | -42.5 | 174.2 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | L236 Y237 V238 G243 I244 Y339 C343 | L236-C240 WeakPolarHBondContact O-CB 3.36Å; L236-C240 PolarHBondContact O-N 3.36Å; L236-C240 PolarHBondContact O-SG 3.38Å; L236-C240 VanDerWaalsContact O-SG 3.32Å; Y237-C240 PolarHBondContact O-N 3.32Å; V238-C240 PolarHBondContact O-N 2.95Å; C240-G243 PolarHBondContact O-N 3.41Å; C240-I244 WeakPolarHBondContact O-CG1 3.46Å; C240-I244 PolarHBondContact O-N 3.37Å; C240-Y339 HydrophobicContact CB-CE1 4.29Å; C240-C343 HydrophobicContact CB-CB 4.13Å |
| 241 | R | 82.4 | Confident | 75.2 | Confident | 60 Ų | 60 | 29.1 Ų | 29.1 | 23% | 0.226 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -53.8 | 177 | 179.5 | -155.1 | 65.5 | 178.3 | -2.1 | 110.8 | Y237 V238 G243 I244 L245 Y339 | Y237-R241 HydrophobicContact CE2-CB 4.27Å; Y237-R241 VanDerWaalsContact O-CB 3.3Å; Y237-R241 WeakPolarHBondContact O-CB 3.37Å; Y237-R241 PolarHBondContact O-N 2.94Å; V238-R241 PolarHBondContact O-N 3.48Å; R241-G243 PolarHBondContact O-N 3.04Å; R241-I244 PolarHBondContact O-N 3.29Å; R241-I244 VanDerWaalsContact O-N 3.09Å; R241-L245 HydrophobicContact CG-CD1 3.89Å; R241-L245 HydrophobicContact CG-CG 4.41Å; R241-L245 WeakPolarHBondContact O-CG 3.29Å; R241-L245 PolarHBondContact O-N 2.88Å; R241-Y339 WeakPolarHBondContact CA-OH 3.36Å; R241-Y339 HydrophobicContact CB-CE1 4.27Å |
| 242 | D | 79.4 | Confident | 75.9 | Confident | 30 Ų | 30 | 26.6 Ų | 26.6 | 16% | 0.16 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.9 | -45.2 | 176.8 | -62.1 | -3.8 | 0 | 0 | 0 | 109.3 | R215 V238 I244 L245 D246 | R215-D242 IonicContact NH2-OD2 3.75Å; V238-D242 WeakPolarHBondContact O-CB 3.38Å; V238-D242 PolarHBondContact O-N 2.86Å; D242-I244 VanDerWaalsContact C-N 3.29Å; D242-I244 PolarHBondContact O-N 3.45Å; D242-L245 PolarHBondContact O-N 2.86Å; D242-D246 WeakPolarHBondContact O-CB 3.25Å; D242-D246 VanDerWaalsContact O-CG 3.25Å; D242-D246 PolarHBondContact O-N 3.43Å |
| 243 | G | 76 | Confident | 76.2 | Confident | 5 Ų | 5 | 27.7 Ų | 27.7 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.9 | -30.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q239 C240 R241 G247 T248 H249 | Q239-G243 PolarHBondContact O-N 3.41Å; C240-G243 PolarHBondContact O-N 3.41Å; R241-G243 PolarHBondContact O-N 3.04Å; G243-G247 CarbonylContact O-C 3.27Å; G243-G247 PolarHBondContact O-N 2.95Å; G243-T248 WeakPolarHBondContact CA-OG1 3.47Å; G243-T248 PolarHBondContact O-N 2.78Å; G243-T248 PolarHBondContact O-OG1 3.29Å; G243-H249 PolarHBondContact O-N 3.08Å |
| 244 | I | 81.1 | Confident | 76 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -76.9 | -49.6 | 172.6 | -71.7 | 168 | 0 | 0 | 0 | 110.6 | C240 R241 D242 G247 H249 V251 F259 P288 Y339 | C240-I244 WeakPolarHBondContact O-CG1 3.46Å; C240-I244 PolarHBondContact O-N 3.37Å; R241-I244 PolarHBondContact O-N 3.29Å; R241-I244 VanDerWaalsContact O-N 3.09Å; D242-I244 VanDerWaalsContact C-N 3.29Å; D242-I244 PolarHBondContact O-N 3.45Å; I244-G247 PolarHBondContact O-N 3.13Å; I244-H249 HydrophobicContact CG1-CB 4.26Å; I244-V251 HydrophobicContact CD1-CG1 4.38Å; I244-V251 HydrophobicContact CG1-CG1 4.22Å; I244-V251 HydrophobicContact CG2-CG2 4.01Å; I244-F259 HydrophobicContact CD1-CB 4.35Å; I244-F259 HydrophobicContact CD1-CD1 3.87Å; I244-F259 HydrophobicContact CD1-CD2 3.66Å; I244-F259 HydrophobicContact CD1-CE1 4.03Å; I244-F259 HydrophobicContact CD1-CE2 3.83Å; I244-F259 HydrophobicContact CD1-CG 3.69Å; I244-F259 HydrophobicContact CD1-CZ 4.02Å; I244-P288 HydrophobicContact CG2-CG 4.34Å; I244-P288 WeakPolarHBondContact O-CG 3.22Å; I244-Y339 HydrophobicContact CD1-CE1 4.08Å |
| 245 | L | 78.9 | Confident | 76.3 | Confident | 34 Ų | 34 | 32.5 Ų | 32.5 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | -177.5 | -67.1 | 174.3 | 0 | 0 | 0 | 112.8 | R241 D242 E285 F286 | R241-L245 HydrophobicContact CG-CD1 3.89Å; R241-L245 HydrophobicContact CG-CG 4.41Å; R241-L245 WeakPolarHBondContact O-CG 3.29Å; R241-L245 PolarHBondContact O-N 2.88Å; D242-L245 PolarHBondContact O-N 2.86Å; L245-E285 WeakPolarHBondContact CD1-O 3.32Å; L245-E285 WeakPolarHBondContact CD2-O 3.37Å; L245-F286 VanDerWaalsContact CD2-C 3.41Å |
| 246 | D | 73.3 | Confident | 76.6 | Confident | 91 Ų | 91 | 31.6 Ų | 31.6 | 49% | 0.487 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.5 | -41 | 175.1 | -71.7 | -22.3 | 0 | 0 | 0 | 110 | F188 D242 | F188-D246 HydrophobicContact CE2-CB 3.62Å; F188-D246 WeakPolarHBondContact CE2-O 3.49Å; F188-D246 VanDerWaalsContact CZ-C 3.43Å; F188-D246 HydrophobicContact CZ-CB 3.59Å; F188-D246 WeakPolarHBondContact CZ-O 3.41Å; D242-D246 WeakPolarHBondContact O-CB 3.25Å; D242-D246 VanDerWaalsContact O-CG 3.25Å; D242-D246 PolarHBondContact O-N 3.43Å |
| 247 | G | 68.9 | Low | 76.9 | Confident | 31 Ų | 31 | 31.3 Ų | 31.3 | 32% | 0.32 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 108.1 | 12.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G243 I244 H249 | G243-G247 CarbonylContact O-C 3.27Å; G243-G247 PolarHBondContact O-N 2.95Å; I244-G247 PolarHBondContact O-N 3.13Å; G247-H249 PolarHBondContact O-N 3.2Å |
| 248 | T | 69.7 | Low | 76.6 | Confident | 55 Ų | 55 | 31.5 Ų | 31.5 | 34% | 0.337 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -61.5 | -28.4 | 173.2 | 70.5 | 0 | 0 | 0 | 0 | 112.1 | F188 G243 P250 | F188-T248 HydrophobicContact CE1-CG2 3.44Å; F188-T248 VanDerWaalsContact CE1-CG2 3.44Å; F188-T248 HydrophobicContact CZ-CG2 3.49Å; F188-T248 VanDerWaalsContact CZ-CG2 3.49Å; G243-T248 WeakPolarHBondContact CA-OG1 3.47Å; G243-T248 PolarHBondContact O-N 2.78Å; G243-T248 PolarHBondContact O-OG1 3.29Å; T248-P250 WeakPolarHBondContact O-CD 3.43Å |
| 249 | H | 72.5 | Confident | 76.9 | Confident | 20 Ų | 20 | 31.2 Ų | 31.2 | 9% | 0.093 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -116.3 | 91.9 | 179.4 | -61.4 | -36.4 | 0 | 0 | 0 | 108.4 | G243 I244 G247 V251 | G243-H249 PolarHBondContact O-N 3.08Å; I244-H249 HydrophobicContact CG1-CB 4.26Å; G247-H249 PolarHBondContact O-N 3.2Å; H249-V251 PolarHBondContact O-N 3.19Å |
| 250 | P | 73.9 | Confident | 77.2 | Confident | 13 Ų | 13 | 29.9 Ų | 29.9 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | trans | -56 | 125.2 | 173.2 | -23 | 31.8 | 0 | 0 | 0 | 110.1 | T248 T348 F353 L388 K404 | T248-P250 WeakPolarHBondContact O-CD 3.43Å; P250-T348 HydrophobicContact CB-CG2 4.31Å; P250-T348 WeakPolarHBondContact O-CB 3.25Å; P250-T348 VanDerWaalsContact O-CG2 3.32Å; P250-T348 WeakPolarHBondContact O-CG2 3.29Å; P250-T348 PolarHBondContact O-OG1 3.19Å; P250-F353 HydrophobicContact CG-CD2 3.81Å; P250-F353 HydrophobicContact CG-CE2 4.01Å; P250-F353 HydrophobicContact CG-CG 4.12Å; P250-L388 HydrophobicContact CB-CD1 4.33Å; P250-L388 HydrophobicContact CG-CD1 4.08Å; P250-K404 HydrophobicContact CB-CB 4.3Å; P250-K404 HydrophobicContact CB-CD 4.11Å; P250-K404 HydrophobicContact CB-CG 4.28Å | ||
| 251 | V | 76.9 | Confident | 77.2 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.024 | 16% | 0.161 | C | C | . | . | trans | -124 | 148 | 176.8 | -73.8 | 0 | 0 | 0 | 0 | 108.8 | I244 H249 E255 A256 F259 Y291 L346 K404 | I244-V251 HydrophobicContact CD1-CG1 4.38Å; I244-V251 HydrophobicContact CG1-CG1 4.22Å; I244-V251 HydrophobicContact CG2-CG2 4.01Å; H249-V251 PolarHBondContact O-N 3.19Å; V251-E255 HydrophobicContact CB-CB 4.14Å; V251-A256 HydrophobicContact CG2-CB 3.93Å; V251-F259 HydrophobicContact CG1-CD2 4.18Å; V251-F259 HydrophobicContact CG1-CE2 3.8Å; V251-Y291 WeakPolarHBondContact O-CE2 3.35Å; V251-Y291 PolarHBondContact O-OH 3.45Å; V251-Y291 VanDerWaalsContact O-OH 3.07Å; V251-L346 HydrophobicContact CG1-CD1 3.52Å; V251-L346 HydrophobicContact CG1-CD2 4.12Å; V251-L346 HydrophobicContact CG1-CG 4.49Å; V251-K404 WeakPolarHBondContact O-CG 3.28Å | ||
| 252 | T | 80.1 | Confident | 77.1 | Confident | 39 Ų | 39 | 27 Ų | 27 | 24% | 0.239 | 15% | 0.15 | C | C | . | . | trans | -65.6 | 161.4 | 171.7 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | D254 E255 A256 T403 | T252-D254 VanDerWaalsContact C-N 3.29Å; T252-D254 PolarHBondContact O-N 3.09Å; T252-E255 WeakPolarHBondContact CB-OE2 3.19Å; T252-E255 VanDerWaalsContact CG2-OE2 3.29Å; T252-E255 WeakPolarHBondContact CG2-OE2 3.47Å; T252-E255 PolarHBondContact N-OE2 3.05Å; T252-E255 PolarHBondContact O-N 3.37Å; T252-E255 WeakPolarHBondContact OG1-CB 3.47Å; T252-E255 WeakPolarHBondContact OG1-CG 3.49Å; T252-E255 PolarHBondContact OG1-N 2.87Å; T252-E255 PolarHBondContact OG1-OE2 3.48Å; T252-A256 WeakPolarHBondContact O-CB 3.21Å; T252-A256 PolarHBondContact O-N 3.16Å; T252-T403 WeakPolarHBondContact CG2-O 3.38Å | ||
| 253 | K | 73.4 | Confident | 77.3 | Confident | 74 Ų | 74 | 25.7 Ų | 25.7 | 32% | 0.322 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -58.5 | -38.2 | -179.5 | -175.2 | 174.9 | 179.2 | 177.8 | 0 | 113.1 | F257 Y291 S294 | K253-F257 HydrophobicContact CD-CE2 4.21Å; K253-F257 HydrophobicContact CD-CZ 4.25Å; K253-F257 HydrophobicContact CG-CD2 4.38Å; K253-F257 HydrophobicContact CG-CE2 3.69Å; K253-F257 HydrophobicContact CG-CZ 3.85Å; K253-F257 VanDerWaalsContact O-CD2 3.25Å; K253-F257 WeakPolarHBondContact O-CD2 3.5Å; K253-F257 WeakPolarHBondContact O-CG 3.3Å; K253-F257 PolarHBondContact O-N 3.21Å; K253-Y291 HydrophobicContact CB-CD1 4.16Å; K253-Y291 HydrophobicContact CB-CE1 3.81Å; K253-Y291 HydrophobicContact CD-CD1 4.39Å; K253-Y291 HydrophobicContact CG-CD1 4Å; K253-Y291 HydrophobicContact CG-CE1 4.17Å; K253-Y291 HydrophobicContact CG-CG 4.47Å; K253-S294 PolarHBondContact NZ-OG 3.43Å |
| 254 | D | 72 | Confident | 77.4 | Confident | 78 Ų | 78 | 25.4 Ų | 25.4 | 42% | 0.417 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -78.3 | -32.6 | -179.4 | -69.3 | -38.7 | 0 | 0 | 0 | 112.1 | T252 F257 L258 R300 | T252-D254 VanDerWaalsContact C-N 3.29Å; T252-D254 PolarHBondContact O-N 3.09Å; D254-F257 PolarHBondContact O-N 3.2Å; D254-L258 PolarHBondContact O-N 3.4Å; D254-L258 VanDerWaalsContact O-N 3.14Å; D254-R300 IonicContact OD1-NH1 3.26Å; D254-R300 PolarHBondContact OD1-NH1 2.83Å |
| 255 | E | 79.1 | Confident | 77.3 | Confident | 67 Ų | 67 | 25.7 Ų | 25.7 | 31% | 0.313 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.4 | -41.6 | 167.8 | -72.6 | 164.2 | 148.8 | 0 | 0 | 111.5 | V251 T252 F257 L258 F259 L346 | V251-E255 HydrophobicContact CB-CB 4.14Å; T252-E255 WeakPolarHBondContact CB-OE2 3.19Å; T252-E255 VanDerWaalsContact CG2-OE2 3.29Å; T252-E255 WeakPolarHBondContact CG2-OE2 3.47Å; T252-E255 PolarHBondContact N-OE2 3.05Å; T252-E255 PolarHBondContact O-N 3.37Å; T252-E255 WeakPolarHBondContact OG1-CB 3.47Å; T252-E255 WeakPolarHBondContact OG1-CG 3.49Å; T252-E255 PolarHBondContact OG1-N 2.87Å; T252-E255 PolarHBondContact OG1-OE2 3.48Å; E255-F257 VanDerWaalsContact C-N 3.33Å; E255-F257 PolarHBondContact O-N 3.08Å; E255-L258 WeakPolarHBondContact O-CA 3.25Å; E255-L258 WeakPolarHBondContact O-CB 3.41Å; E255-L258 PolarHBondContact O-N 3.44Å; E255-F259 HydrophobicContact CB-CD2 4.39Å; E255-F259 HydrophobicContact CB-CE2 4.19Å; E255-F259 WeakPolarHBondContact O-CD2 3.49Å; E255-F259 PolarHBondContact O-N 3.17Å; E255-L346 WeakPolarHBondContact OE1-CD2 3.31Å |
| 256 | A | 79 | Confident | 77.3 | Confident | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.5 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | V251 T252 L258 F259 A260 L287 Y291 | V251-A256 HydrophobicContact CG2-CB 3.93Å; T252-A256 WeakPolarHBondContact O-CB 3.21Å; T252-A256 PolarHBondContact O-N 3.16Å; A256-L258 VanDerWaalsContact C-N 3.29Å; A256-L258 PolarHBondContact O-N 2.98Å; A256-F259 PolarHBondContact O-N 3.11Å; A256-A260 VanDerWaalsContact O-CB 3.28Å; A256-A260 WeakPolarHBondContact O-CB 3.39Å; A256-A260 PolarHBondContact O-N 2.91Å; A256-L287 HydrophobicContact CB-CD2 3.91Å; A256-Y291 HydrophobicContact CB-CD2 3.59Å; A256-Y291 HydrophobicContact CB-CE2 3.96Å |
| 257 | F | 81.5 | Confident | 77.7 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.8 | -31.6 | 173.1 | -63.6 | -36.1 | 0 | 0 | 0 | 113.2 | K253 D254 E255 G261 L287 R300 I301 | K253-F257 HydrophobicContact CD-CE2 4.21Å; K253-F257 HydrophobicContact CD-CZ 4.25Å; K253-F257 HydrophobicContact CG-CD2 4.38Å; K253-F257 HydrophobicContact CG-CE2 3.69Å; K253-F257 HydrophobicContact CG-CZ 3.85Å; K253-F257 VanDerWaalsContact O-CD2 3.25Å; K253-F257 WeakPolarHBondContact O-CD2 3.5Å; K253-F257 WeakPolarHBondContact O-CG 3.3Å; K253-F257 PolarHBondContact O-N 3.21Å; D254-F257 PolarHBondContact O-N 3.2Å; E255-F257 VanDerWaalsContact C-N 3.33Å; E255-F257 PolarHBondContact O-N 3.08Å; F257-G261 PolarHBondContact O-N 2.78Å; F257-L287 HydrophobicContact CD1-CD1 4.33Å; F257-L287 HydrophobicContact CD1-CD2 4.04Å; F257-L287 HydrophobicContact CE1-CD1 4.01Å; F257-L287 HydrophobicContact CE1-CD2 4.4Å; F257-R300 HydrophobicContact CD2-CB 4.18Å; F257-R300 HydrophobicContact CE2-CB 4.27Å; F257-R300 HydrophobicContact CE2-CG 4.48Å; F257-R300 HydrophobicContact CG-CB 4.4Å; F257-I301 HydrophobicContact CD1-CD1 4.29Å; F257-I301 HydrophobicContact CD1-CG1 3.88Å |
| 258 | L | 77.4 | Confident | 78.1 | Confident | 11 Ų | 11 | 27.2 Ų | 27.2 | 6% | 0.058 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.3 | -44 | 177.2 | -173.6 | 58.2 | 0 | 0 | 0 | 111.9 | D254 E255 A256 G261 L262 V304 Y324 | D254-L258 PolarHBondContact O-N 3.4Å; D254-L258 VanDerWaalsContact O-N 3.14Å; E255-L258 WeakPolarHBondContact O-CA 3.25Å; E255-L258 WeakPolarHBondContact O-CB 3.41Å; E255-L258 PolarHBondContact O-N 3.44Å; A256-L258 VanDerWaalsContact C-N 3.29Å; A256-L258 PolarHBondContact O-N 2.98Å; L258-G261 PolarHBondContact O-N 2.8Å; L258-L262 WeakPolarHBondContact O-CG 3.38Å; L258-L262 PolarHBondContact O-N 3.09Å; L258-V304 HydrophobicContact CD1-CG1 4.19Å; L258-Y324 HydrophobicContact CD1-CD1 3.88Å; L258-Y324 HydrophobicContact CD1-CE1 3.51Å; L258-Y324 HydrophobicContact CD2-CE1 3.85Å; L258-Y324 HydrophobicContact CG-CE1 4.29Å |
| 259 | F | 84.8 | Confident | 78.3 | Confident | 5 Ų | 5 | 26 Ų | 26 | 2% | 0.022 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 171.5 | -71.3 | -64 | 0 | 0 | 0 | 111.5 | I244 V251 E255 A256 G261 L262 Q263 Y339 R342 C343 L346 | I244-F259 HydrophobicContact CD1-CB 4.35Å; I244-F259 HydrophobicContact CD1-CD1 3.87Å; I244-F259 HydrophobicContact CD1-CD2 3.66Å; I244-F259 HydrophobicContact CD1-CE1 4.03Å; I244-F259 HydrophobicContact CD1-CE2 3.83Å; I244-F259 HydrophobicContact CD1-CG 3.69Å; I244-F259 HydrophobicContact CD1-CZ 4.02Å; V251-F259 HydrophobicContact CG1-CD2 4.18Å; V251-F259 HydrophobicContact CG1-CE2 3.8Å; E255-F259 HydrophobicContact CB-CD2 4.39Å; E255-F259 HydrophobicContact CB-CE2 4.19Å; E255-F259 WeakPolarHBondContact O-CD2 3.49Å; E255-F259 PolarHBondContact O-N 3.17Å; A256-F259 PolarHBondContact O-N 3.11Å; F259-G261 VanDerWaalsContact C-N 3.32Å; F259-G261 PolarHBondContact O-N 3.01Å; F259-L262 PolarHBondContact O-N 3.13Å; F259-Q263 WeakPolarHBondContact O-CB 3.35Å; F259-Q263 PolarHBondContact O-N 3.36Å; F259-Y339 HydrophobicContact CB-CE2 3.89Å; F259-Y339 AromaticContact CD1-CD1 3.99Å; F259-Y339 HydrophobicContact CD1-CD1 3.99Å; F259-Y339 HydrophobicContact CD1-CD2 4.01Å; F259-Y339 AromaticContact CD1-CE1 3.8Å; F259-Y339 HydrophobicContact CD1-CE1 3.8Å; F259-Y339 AromaticContact CD1-CE2 3.83Å; F259-Y339 HydrophobicContact CD1-CE2 3.83Å; F259-Y339 HydrophobicContact CD1-CG 4.08Å; F259-Y339 AromaticContact CD1-CZ 3.71Å; F259-Y339 HydrophobicContact CE1-CD1 4.28Å; F259-Y339 HydrophobicContact CE1-CE1 4.31Å; F259-Y339 HydrophobicContact CG-CE2 4.33Å; F259-Y339 WeakPolarHBondContact O-CE2 3.48Å; F259-R342 HydrophobicContact CE1-CB 3.78Å; F259-R342 HydrophobicContact CZ-CB 3.98Å; F259-C343 HydrophobicContact CE1-CB 4.12Å; F259-C343 HydrophobicContact CZ-CB 4.26Å; F259-L346 HydrophobicContact CE2-CD1 4.04Å; F259-L346 HydrophobicContact CE2-CD2 4.31Å; F259-L346 HydrophobicContact CZ-CD1 4Å; F259-L346 HydrophobicContact CZ-CD2 4.49Å; F259-L346 HydrophobicContact CZ-CG 4.36Å |
| 260 | A | 81.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A256 Q263 C264 F286 L287 I301 | A256-A260 VanDerWaalsContact O-CB 3.28Å; A256-A260 WeakPolarHBondContact O-CB 3.39Å; A256-A260 PolarHBondContact O-N 2.91Å; A260-Q263 PolarHBondContact O-N 2.69Å; A260-C264 PolarHBondContact O-N 3.34Å; A260-C264 PolarHBondContact O-SG 2.89Å; A260-F286 HydrophobicContact CB-CB 4.09Å; A260-F286 WeakPolarHBondContact CB-O 3.32Å; A260-L287 HydrophobicContact CB-CD2 4.07Å; A260-I301 HydrophobicContact CB-CD1 3.81Å; A260-I301 HydrophobicContact CB-CG1 3.83Å; A260-I301 HydrophobicContact CB-CG2 4.2Å |
| 261 | G | 79 | Confident | 77.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F257 L258 F259 C264 Q265 | F257-G261 PolarHBondContact O-N 2.78Å; L258-G261 PolarHBondContact O-N 2.8Å; F259-G261 VanDerWaalsContact C-N 3.32Å; F259-G261 PolarHBondContact O-N 3.01Å; G261-C264 WeakPolarHBondContact O-CB 3.22Å; G261-C264 PolarHBondContact O-N 3.41Å; G261-Q265 PolarHBondContact O-N 2.86Å; G261-Q265 VanDerWaalsContact O-N 3.1Å |
| 262 | L | 80.5 | Confident | 77.4 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -38.9 | 172.4 | -72.6 | 170 | 0 | 0 | 0 | 111.7 | L258 F259 Q265 I266 Y339 | L258-L262 WeakPolarHBondContact O-CG 3.38Å; L258-L262 PolarHBondContact O-N 3.09Å; F259-L262 PolarHBondContact O-N 3.13Å; L262-Q265 PolarHBondContact O-N 3.14Å; L262-I266 VanDerWaalsContact O-CG1 3.27Å; L262-I266 WeakPolarHBondContact O-CG1 3.3Å; L262-I266 PolarHBondContact O-N 3.34Å; L262-Y339 HydrophobicContact CB-CD2 3.79Å; L262-Y339 HydrophobicContact CD1-CD2 4.46Å |
| 263 | Q | 84.1 | Confident | 76.6 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -38.7 | 174.9 | -177.2 | 175.2 | -29.2 | 0 | 0 | 111.8 | F259 A260 I266 Q267 E285 F286 Y339 | F259-Q263 WeakPolarHBondContact O-CB 3.35Å; F259-Q263 PolarHBondContact O-N 3.36Å; A260-Q263 PolarHBondContact O-N 2.69Å; Q263-I266 PolarHBondContact O-N 2.97Å; Q263-Q267 HydrophobicContact CG-CG 4.46Å; Q263-Q267 WeakPolarHBondContact O-CB 3.3Å; Q263-Q267 PolarHBondContact O-N 3.03Å; Q263-E285 PolarHBondContact NE2-O 3.39Å; Q263-F286 HydrophobicContact CB-CD1 4.15Å; Q263-F286 HydrophobicContact CB-CE1 4.49Å; Q263-F286 HydrophobicContact CG-CD1 3.82Å; Q263-F286 HydrophobicContact CG-CE1 3.92Å; Q263-Y339 HydrophobicContact CB-CE2 4.23Å |
| 264 | C | 78.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 171.7 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | A260 G261 I266 Q267 F268 F286 Y305 | A260-C264 PolarHBondContact O-N 3.34Å; A260-C264 PolarHBondContact O-SG 2.89Å; G261-C264 WeakPolarHBondContact O-CB 3.22Å; G261-C264 PolarHBondContact O-N 3.41Å; C264-I266 VanDerWaalsContact C-N 3.32Å; C264-I266 PolarHBondContact O-N 2.98Å; C264-Q267 PolarHBondContact O-N 3.08Å; C264-F268 HydrophobicContact CB-CD2 4.32Å; C264-F268 WeakPolarHBondContact O-CB 3.42Å; C264-F268 PolarHBondContact O-N 3.01Å; C264-F286 VanDerWaalsContact SG-CE1 3.59Å; C264-Y305 HydrophobicContact CB-CD1 3.73Å; C264-Y305 HydrophobicContact CB-CD2 3.95Å; C264-Y305 HydrophobicContact CB-CE1 3.94Å; C264-Y305 HydrophobicContact CB-CE2 4.16Å; C264-Y305 HydrophobicContact CB-CG 3.77Å |
| 265 | Q | 78.8 | Confident | 76 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | 175.2 | -173.1 | 73.6 | 22.9 | 0 | 0 | 111.7 | G261 L262 G269 D270 V308 S309 M330 A335 | G261-Q265 PolarHBondContact O-N 2.86Å; G261-Q265 VanDerWaalsContact O-N 3.1Å; L262-Q265 PolarHBondContact O-N 3.14Å; Q265-G269 PolarHBondContact O-N 3.47Å; Q265-G269 PolarHBondContact OE1-O 3Å; Q265-D270 PolarHBondContact NE2-OD1 3.23Å; Q265-V308 HydrophobicContact CB-CG1 4.14Å; Q265-V308 HydrophobicContact CG-CG1 3.92Å; Q265-S309 PolarHBondContact OE1-OG 3.46Å; Q265-M330 PolarHBondContact NE2-O 2.93Å; Q265-M330 VanDerWaalsContact NE2-O 3.15Å; Q265-A335 HydrophobicContact CG-CB 4.39Å |
| 266 | I | 79.9 | Confident | 75.5 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.8 | -37.9 | 177 | -67.9 | 164 | 0 | 0 | 0 | 112.3 | Y237 L262 Q263 C264 E332 A335 K336 Y339 | Y237-I266 HydrophobicContact CD2-CD1 4.1Å; Y237-I266 HydrophobicContact CE1-CD1 4.47Å; Y237-I266 HydrophobicContact CE1-CG2 4.11Å; Y237-I266 HydrophobicContact CE2-CD1 3.45Å; Y237-I266 VanDerWaalsContact CE2-CD1 3.45Å; L262-I266 VanDerWaalsContact O-CG1 3.27Å; L262-I266 WeakPolarHBondContact O-CG1 3.3Å; L262-I266 PolarHBondContact O-N 3.34Å; Q263-I266 PolarHBondContact O-N 2.97Å; C264-I266 VanDerWaalsContact C-N 3.32Å; C264-I266 PolarHBondContact O-N 2.98Å; I266-E332 HydrophobicContact CG2-CG 4.2Å; I266-A335 HydrophobicContact CD1-CB 4.14Å; I266-A335 HydrophobicContact CG1-CB 3.55Å; I266-K336 HydrophobicContact CD1-CG 3.84Å; I266-K336 HydrophobicContact CG1-CG 4.19Å; I266-K336 HydrophobicContact CG2-CG 4.36Å; I266-Y339 HydrophobicContact CD1-CD2 4.27Å |
| 267 | Q | 79.8 | Confident | 74.9 | Confident | 78 Ų | 78 | 50.2 Ų | 50.2 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -90.9 | -33.5 | -175.3 | -73.9 | -176.9 | -30.3 | 0 | 0 | 114.5 | Q263 C264 | Q263-Q267 HydrophobicContact CG-CG 4.46Å; Q263-Q267 WeakPolarHBondContact O-CB 3.3Å; Q263-Q267 PolarHBondContact O-N 3.03Å; C264-Q267 PolarHBondContact O-N 3.08Å |
| 268 | F | 78 | Confident | 73.9 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 40% | 0.395 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -116.4 | -8.2 | -171.2 | -58.3 | -59.1 | 0 | 0 | 0 | 114.8 | C264 F280 L281 F286 Y305 | C264-F268 HydrophobicContact CB-CD2 4.32Å; C264-F268 WeakPolarHBondContact O-CB 3.42Å; C264-F268 PolarHBondContact O-N 3.01Å; F268-F280 HydrophobicContact CD1-CE1 4.37Å; F268-F280 HydrophobicContact CD1-CZ 4.35Å; F268-F280 HydrophobicContact CD2-CE1 4.15Å; F268-F280 HydrophobicContact CE1-CE1 4.23Å; F268-F280 HydrophobicContact CE1-CZ 4.3Å; F268-F280 AromaticContact CE2-CE1 3.99Å; F268-F280 HydrophobicContact CE2-CE1 3.99Å; F268-F280 HydrophobicContact CG-CE1 4.34Å; F268-F280 HydrophobicContact CZ-CE1 4.04Å; F268-L281 HydrophobicContact CD2-CD2 4.32Å; F268-L281 HydrophobicContact CE2-CD2 3.5Å; F268-L281 HydrophobicContact CZ-CD2 4.21Å; F268-F286 AromaticContact CE2-CE1 3.96Å; F268-F286 HydrophobicContact CE2-CE1 3.96Å; F268-F286 HydrophobicContact CE2-CE2 4.42Å; F268-F286 AromaticContact CE2-CZ 3.46Å; F268-F286 HydrophobicContact CE2-CZ 3.46Å; F268-F286 VanDerWaalsContact CE2-CZ 3.46Å; F268-F286 AromaticContact CZ-CZ 3.87Å; F268-F286 HydrophobicContact CZ-CZ 3.87Å; F268-Y305 WeakPolarHBondContact CB-OH 3.41Å |
| 269 | G | 73.8 | Confident | 73.4 | Confident | 31 Ų | 31 | 59 Ų | 59 | 32% | 0.32 | 31% | 0.309 | S | S | . | . | trans | 77.1 | -140.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q265 Y305 | Q265-G269 PolarHBondContact O-N 3.47Å; Q265-G269 PolarHBondContact OE1-O 3Å; G269-Y305 WeakPolarHBondContact O-CE2 3.49Å; G269-Y305 PolarHBondContact O-OH 3.32Å | ||
| 270 | D | 69.7 | Low | 72.7 | Confident | 91 Ų | 91 | 62.4 Ų | 62.4 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -82.2 | 141.9 | -176.5 | -69.9 | -35.5 | 0 | 0 | 0 | 114.1 | Q265 L272 | Q265-D270 PolarHBondContact NE2-OD1 3.23Å; D270-L272 PolarHBondContact O-N 3.13Å |
| 271 | Y | 66.8 | Low | 72.1 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 11% | 0.106 | 33% | 0.328 | C | S | . | . | trans | -58.6 | 122.2 | 176.1 | -178.2 | -80.7 | 0 | 0 | 0 | 113.2 | E273 H276 M302 Y305 F306 S309 N310 | Y271-E273 HydrophobicContact CE1-CB 3.81Å; Y271-E273 HydrophobicContact CE1-CG 4.28Å; Y271-H276 HydrophobicContact CD2-CB 3.97Å; Y271-H276 AromaticContact CD2-ND1 3.52Å; Y271-H276 HydrophobicContact CE2-CB 3.62Å; Y271-H276 AromaticContact CG-ND1 3.76Å; Y271-H276 PolarHBondContact OH-O 3.06Å; Y271-M302 HydrophobicContact CD2-SD 4.48Å; Y271-M302 HydrophobicContact CE2-CB 4.23Å; Y271-M302 HydrophobicContact CE2-SD 3.95Å; Y271-Y305 AromaticContact CD2-CD1 3.64Å; Y271-Y305 HydrophobicContact CD2-CD1 3.64Å; Y271-Y305 HydrophobicContact CD2-CE1 4.02Å; Y271-Y305 HydrophobicContact CD2-CG 4.01Å; Y271-Y305 HydrophobicContact CG-CD1 4.49Å; Y271-F306 HydrophobicContact CD1-CB 4.14Å; Y271-F306 AromaticContact CD1-CD2 3.6Å; Y271-F306 HydrophobicContact CD1-CD2 3.6Å; Y271-F306 HydrophobicContact CD1-CG 4.37Å; Y271-F306 HydrophobicContact CD2-CB 4.17Å; Y271-F306 HydrophobicContact CE1-CB 4.19Å; Y271-F306 AromaticContact CE1-CD2 3.58Å; Y271-F306 HydrophobicContact CE1-CD2 3.58Å; Y271-F306 HydrophobicContact CE1-CE2 4.47Å; Y271-F306 HydrophobicContact CE1-CG 4.33Å; Y271-F306 HydrophobicContact CE2-CB 4.24Å; Y271-F306 HydrophobicContact CG-CB 4.11Å; Y271-F306 HydrophobicContact CG-CD2 4.36Å; Y271-S309 PolarHBondContact N-OG 2.89Å; Y271-N310 PolarHBondContact O-ND2 3.37Å | ||
| 272 | L | 68.8 | Low | 71.9 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | trans | -117.3 | 113.5 | 171 | -68.1 | 169.5 | 0 | 0 | 0 | 109.9 | D270 T274 K275 H276 | D270-L272 PolarHBondContact O-N 3.13Å; L272-T274 PolarHBondContact O-N 2.84Å; L272-K275 HydrophobicContact CB-CB 4.38Å; L272-K275 HydrophobicContact CD1-CD 4.32Å; L272-K275 PolarHBondContact O-N 3.38Å; L272-H276 PolarHBondContact N-CE1 2.88Å; L272-H276 PolarHBondContact N-ND1 3.23Å; L272-H276 VanDerWaalsContact N-ND1 3.18Å; L272-H276 PolarHBondContact O-N 3.19Å | ||
| 273 | E | 63.3 | Low | 71.4 | Confident | 147 Ų | 147 | 69 Ų | 69 | 69% | 0.687 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.8 | -178 | -162.9 | 174.4 | -167.4 | 0 | 0 | 113.7 | Y271 | Y271-E273 HydrophobicContact CE1-CB 3.81Å; Y271-E273 HydrophobicContact CE1-CG 4.28Å |
| 274 | T | 65.6 | Low | 70.9 | Confident | 119 Ų | 119 | 75.1 Ų | 75.1 | 73% | 0.73 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -28.3 | 174.3 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | L272 | L272-T274 PolarHBondContact O-N 2.84Š|
| 275 | K | 67 | Low | 70.8 | Confident | 137 Ų | 137 | 80.5 Ų | 80.5 | 60% | 0.596 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -43.6 | 176.7 | -79.9 | -174 | 171.5 | -177.3 | 0 | 112.3 | L272 R277 F280 | L272-K275 HydrophobicContact CB-CB 4.38Å; L272-K275 HydrophobicContact CD1-CD 4.32Å; L272-K275 PolarHBondContact O-N 3.38Å; K275-R277 PolarHBondContact O-N 2.77Å; K275-F280 WeakPolarHBondContact O-CD2 3.38Å |
| 276 | H | 69 | Low | 70.8 | Confident | 9 Ų | 9 | 80.3 Ų | 80.3 | 4% | 0.042 | 41% | 0.412 | C | S | . | . | trans | -94.5 | 85.2 | -167.9 | -52.4 | 145.5 | 0 | 0 | 0 | 110.8 | Y271 L272 F280 M302 Y305 | Y271-H276 HydrophobicContact CD2-CB 3.97Å; Y271-H276 AromaticContact CD2-ND1 3.52Å; Y271-H276 HydrophobicContact CE2-CB 3.62Å; Y271-H276 AromaticContact CG-ND1 3.76Å; Y271-H276 PolarHBondContact OH-O 3.06Å; L272-H276 PolarHBondContact N-CE1 2.88Å; L272-H276 PolarHBondContact N-ND1 3.23Å; L272-H276 VanDerWaalsContact N-ND1 3.18Å; L272-H276 PolarHBondContact O-N 3.19Å; H276-F280 AromaticContact CD2-CD1 3.78Å; H276-F280 AromaticContact CD2-CE1 3.44Å; H276-F280 VanDerWaalsContact CD2-CE1 3.44Å; H276-F280 WeakPolarHBondContact CD2-CE1 3.38Å; H276-F280 AromaticContact CD2-CE2 3.87Å; H276-F280 AromaticContact CD2-CZ 3.49Å; H276-F280 VanDerWaalsContact CD2-CZ 3.49Å; H276-F280 WeakPolarHBondContact CD2-CZ 3.47Å; H276-F280 AromaticContact NE2-CE1 3.94Å; H276-F280 AromaticContact NE2-CZ 3.83Å; H276-M302 HydrophobicContact CB-CE 3.99Å; H276-M302 HydrophobicContact CB-SD 3.8Å; H276-Y305 AromaticContact CE1-CE1 3.52Å; H276-Y305 AromaticContact CE1-CZ 3.69Å; H276-Y305 PolarHBondContact CE1-OH 2.92Å; H276-Y305 AromaticContact ND1-CE1 3.44Å; H276-Y305 WeakPolarHBondContact ND1-CE1 3.41Å; H276-Y305 AromaticContact ND1-CZ 3.97Å | ||
| 277 | R | 64.7 | Low | 70.7 | Confident | 183 Ų | 183 | 79.5 Ų | 79.5 | 69% | 0.691 | 41% | 0.408 | S | S | * | . | trans | -106.7 | 164.7 | 173.2 | -63.8 | -174.7 | 176.8 | -165.7 | -1.7 | 110.1 | K275 G279 F280 | K275-R277 PolarHBondContact O-N 2.77Å; R277-G279 PolarHBondContact O-N 3.2Å; R277-F280 WeakPolarHBondContact O-CB 3.35Å; R277-F280 PolarHBondContact O-N 2.82Å; R277-F280 VanDerWaalsContact O-N 3.12Å | ||
| 278 | N | 61.6 | Low | 70.4 | Confident | 128 Ų | 128 | 76.3 Ų | 76.3 | 68% | 0.684 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 129.8 | 170.2 | -69.3 | 26.3 | 0 | 0 | 0 | 110.5 | E298 | N278-E298 WeakPolarHBondContact CA-OE2 3.27Š|
| 279 | G | 66.5 | Low | 70 | Confident | 72 Ų | 72 | 78.8 Ų | 78.8 | 74% | 0.742 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | 20.4 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | R277 E298 | R277-G279 PolarHBondContact O-N 3.2Å; G279-E298 PolarHBondContact N-OE1 2.84Å; G279-E298 PolarHBondContact N-OE2 2.91Å |
| 280 | F | 70.3 | Confident | 69.6 | Low | 77 Ų | 77 | 81.2 Ų | 81.2 | 34% | 0.338 | 41% | 0.41 | S | S | . | . | trans | -94.8 | -32.4 | 177.2 | 177.7 | -91.1 | 0 | 0 | 0 | 112.9 | F268 K275 H276 R277 E298 M302 | F268-F280 HydrophobicContact CD1-CE1 4.37Å; F268-F280 HydrophobicContact CD1-CZ 4.35Å; F268-F280 HydrophobicContact CD2-CE1 4.15Å; F268-F280 HydrophobicContact CE1-CE1 4.23Å; F268-F280 HydrophobicContact CE1-CZ 4.3Å; F268-F280 AromaticContact CE2-CE1 3.99Å; F268-F280 HydrophobicContact CE2-CE1 3.99Å; F268-F280 HydrophobicContact CG-CE1 4.34Å; F268-F280 HydrophobicContact CZ-CE1 4.04Å; K275-F280 WeakPolarHBondContact O-CD2 3.38Å; H276-F280 AromaticContact CD2-CD1 3.78Å; H276-F280 AromaticContact CD2-CE1 3.44Å; H276-F280 VanDerWaalsContact CD2-CE1 3.44Å; H276-F280 WeakPolarHBondContact CD2-CE1 3.38Å; H276-F280 AromaticContact CD2-CE2 3.87Å; H276-F280 AromaticContact CD2-CZ 3.49Å; H276-F280 VanDerWaalsContact CD2-CZ 3.49Å; H276-F280 WeakPolarHBondContact CD2-CZ 3.47Å; H276-F280 AromaticContact NE2-CE1 3.94Å; H276-F280 AromaticContact NE2-CZ 3.83Å; R277-F280 WeakPolarHBondContact O-CB 3.35Å; R277-F280 PolarHBondContact O-N 2.82Å; R277-F280 VanDerWaalsContact O-N 3.12Å; F280-E298 PolarHBondContact N-OE1 3.49Å; F280-M302 HydrophobicContact CB-CE 3.77Å; F280-M302 HydrophobicContact CD1-CE 3.95Å; F280-M302 HydrophobicContact CG-CE 4.25Å | ||
| 281 | L | 68.4 | Low | 69.7 | Low | 14 Ų | 14 | 78.1 Ų | 78.1 | 7% | 0.073 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -99.8 | 129.1 | -178.4 | -62.2 | 172.5 | 0 | 0 | 0 | 111.2 | F268 L283 F286 E298 I301 M302 | F268-L281 HydrophobicContact CD2-CD2 4.32Å; F268-L281 HydrophobicContact CE2-CD2 3.5Å; F268-L281 HydrophobicContact CZ-CD2 4.21Å; L281-L283 PolarHBondContact O-N 2.97Å; L281-F286 HydrophobicContact CD2-CD2 4.39Å; L281-F286 HydrophobicContact CD2-CE1 4.35Å; L281-F286 HydrophobicContact CD2-CE2 3.92Å; L281-F286 HydrophobicContact CD2-CZ 3.9Å; L281-E298 HydrophobicContact CB-CG 4.45Å; L281-E298 HydrophobicContact CD1-CG 4.4Å; L281-E298 PolarHBondContact N-OE1 2.87Å; L281-I301 HydrophobicContact CD1-CB 4.37Å; L281-I301 HydrophobicContact CD1-CG2 3.64Å; L281-M302 HydrophobicContact CD1-CE 3.85Å; L281-M302 HydrophobicContact CD1-SD 4.29Å; L281-M302 HydrophobicContact CG-CE 3.76Å |
| 282 | D | 74.1 | Confident | 69.7 | Low | 95 Ų | 95 | 78.5 Ų | 78.5 | 51% | 0.508 | 40% | 0.397 | S | S | . | . | trans | -75 | 101.7 | 158.3 | -171.4 | -15.5 | 0 | 0 | 0 | 108.4 | Q284 E285 F286 | D282-Q284 PolarHBondContact O-N 3Å; D282-Q284 WeakPolarHBondContact OD1-CB 3.26Å; D282-Q284 PolarHBondContact OD1-N 3.43Å; D282-Q284 VanDerWaalsContact OD1-N 3.09Å; D282-E285 PolarHBondContact O-N 2.85Å; D282-F286 WeakPolarHBondContact O-CD2 3.42Å | ||
| 283 | L | 70.8 | Confident | 69.3 | Low | 31 Ų | 31 | 81.8 Ų | 81.8 | 16% | 0.162 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -56.7 | -21.5 | -175.9 | -67 | 175.9 | 0 | 0 | 0 | 113.5 | L281 E285 F286 L287 V292 E298 I301 | L281-L283 PolarHBondContact O-N 2.97Å; L283-E285 VanDerWaalsContact C-N 3.26Å; L283-E285 PolarHBondContact O-N 3.38Å; L283-F286 PolarHBondContact O-N 2.94Å; L283-L287 HydrophobicContact CD2-CD1 4.41Å; L283-L287 PolarHBondContact O-N 2.94Å; L283-V292 HydrophobicContact CB-CB 4.45Å; L283-V292 HydrophobicContact CB-CG1 3.93Å; L283-V292 HydrophobicContact CB-CG2 4.28Å; L283-E298 HydrophobicContact CD2-CB 4.1Å; L283-E298 HydrophobicContact CD2-CG 4.49Å; L283-I301 HydrophobicContact CD2-CD1 3.83Å |
| 284 | Q | 73.8 | Confident | 69.1 | Low | 130 Ų | 130 | 76.8 Ų | 76.8 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -67.2 | -23.8 | 177.4 | -60.7 | -168.5 | 36.5 | 0 | 0 | 113.5 | D282 V292 | D282-Q284 PolarHBondContact O-N 3Å; D282-Q284 WeakPolarHBondContact OD1-CB 3.26Å; D282-Q284 PolarHBondContact OD1-N 3.43Å; D282-Q284 VanDerWaalsContact OD1-N 3.09Å; Q284-V292 HydrophobicContact CG-CG1 4.47Å |
| 285 | E | 75.7 | Confident | 68.5 | Low | 112 Ų | 112 | 79.6 Ų | 79.6 | 52% | 0.523 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -85.4 | -15.1 | 177.8 | -63.8 | -166.7 | 160.9 | 0 | 0 | 113.4 | L245 Q263 D282 L283 | L245-E285 WeakPolarHBondContact CD1-O 3.32Å; L245-E285 WeakPolarHBondContact CD2-O 3.37Å; Q263-E285 PolarHBondContact NE2-O 3.39Å; D282-E285 PolarHBondContact O-N 2.85Å; L283-E285 VanDerWaalsContact C-N 3.26Å; L283-E285 PolarHBondContact O-N 3.38Å |
| 286 | F | 78.6 | Confident | 68.4 | Low | 5 Ų | 5 | 77.2 Ų | 77.2 | 2% | 0.022 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -19.8 | -171 | -63.6 | -94.4 | 0 | 0 | 0 | 114.4 | L245 A260 Q263 C264 F268 L281 D282 L283 | L245-F286 VanDerWaalsContact CD2-C 3.41Å; A260-F286 HydrophobicContact CB-CB 4.09Å; A260-F286 WeakPolarHBondContact CB-O 3.32Å; Q263-F286 HydrophobicContact CB-CD1 4.15Å; Q263-F286 HydrophobicContact CB-CE1 4.49Å; Q263-F286 HydrophobicContact CG-CD1 3.82Å; Q263-F286 HydrophobicContact CG-CE1 3.92Å; C264-F286 VanDerWaalsContact SG-CE1 3.59Å; F268-F286 AromaticContact CE2-CE1 3.96Å; F268-F286 HydrophobicContact CE2-CE1 3.96Å; F268-F286 HydrophobicContact CE2-CE2 4.42Å; F268-F286 AromaticContact CE2-CZ 3.46Å; F268-F286 HydrophobicContact CE2-CZ 3.46Å; F268-F286 VanDerWaalsContact CE2-CZ 3.46Å; F268-F286 AromaticContact CZ-CZ 3.87Å; F268-F286 HydrophobicContact CZ-CZ 3.87Å; L281-F286 HydrophobicContact CD2-CD2 4.39Å; L281-F286 HydrophobicContact CD2-CE1 4.35Å; L281-F286 HydrophobicContact CD2-CE2 3.92Å; L281-F286 HydrophobicContact CD2-CZ 3.9Å; D282-F286 WeakPolarHBondContact O-CD2 3.42Å; L283-F286 PolarHBondContact O-N 2.94Å |
| 287 | L | 79.4 | Confident | 68.3 | Low | 2 Ų | 2 | 76.8 Ų | 76.8 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -126.7 | 148 | 179.7 | -71.4 | 177 | 0 | 0 | 0 | 111.2 | A256 F257 A260 L283 V292 I301 | A256-L287 HydrophobicContact CB-CD2 3.91Å; F257-L287 HydrophobicContact CD1-CD1 4.33Å; F257-L287 HydrophobicContact CD1-CD2 4.04Å; F257-L287 HydrophobicContact CE1-CD1 4.01Å; F257-L287 HydrophobicContact CE1-CD2 4.4Å; A260-L287 HydrophobicContact CB-CD2 4.07Å; L283-L287 HydrophobicContact CD2-CD1 4.41Å; L283-L287 PolarHBondContact O-N 2.94Å; L287-V292 HydrophobicContact CB-CG2 4.06Å; L287-I301 HydrophobicContact CD1-CD1 3.81Å; L287-I301 HydrophobicContact CD2-CD1 4.31Å; L287-I301 HydrophobicContact CG-CD1 3.95Å |
| 288 | P | 72.8 | Confident | 68.6 | Low | 11 Ų | 11 | 69.3 Ų | 69.3 | 7% | 0.071 | 35% | 0.346 | C | S | . | . | trans | -55.8 | 147.6 | 164.4 | -10 | 20.2 | 0 | 0 | 0 | 110 | I244 D290 Y291 V292 | I244-P288 HydrophobicContact CG2-CG 4.34Å; I244-P288 WeakPolarHBondContact O-CG 3.22Å; P288-D290 PolarHBondContact O-N 3.09Å; P288-Y291 HydrophobicContact CG-CD2 4.02Å; P288-Y291 PolarHBondContact O-N 3.04Å; P288-V292 PolarHBondContact O-N 2.81Å | ||
| 289 | K | 69.7 | Low | 69 | Low | 142 Ų | 142 | 69 Ų | 69 | 62% | 0.617 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -28.5 | -177.7 | -68.6 | -179.5 | 178.8 | 176.3 | 0 | 113.8 | Y291 | K289-Y291 PolarHBondContact O-N 3.26Š|
| 290 | D | 65.4 | Low | 69.2 | Low | 83 Ų | 83 | 70.9 Ų | 70.9 | 44% | 0.444 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -36.5 | 174.5 | -66.9 | 2.3 | 0 | 0 | 0 | 113.4 | P288 K404 | P288-D290 PolarHBondContact O-N 3.09Å; D290-K404 IonicContact OD2-NZ 3.57Å |
| 291 | Y | 71.8 | Confident | 69.4 | Low | 26 Ų | 26 | 67.2 Ų | 67.2 | 10% | 0.102 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -14 | -171.6 | -64.6 | -42.6 | 0 | 0 | 0 | 115 | V251 K253 A256 P288 K289 R293 S297 | V251-Y291 WeakPolarHBondContact O-CE2 3.35Å; V251-Y291 PolarHBondContact O-OH 3.45Å; V251-Y291 VanDerWaalsContact O-OH 3.07Å; K253-Y291 HydrophobicContact CB-CD1 4.16Å; K253-Y291 HydrophobicContact CB-CE1 3.81Å; K253-Y291 HydrophobicContact CD-CD1 4.39Å; K253-Y291 HydrophobicContact CG-CD1 4Å; K253-Y291 HydrophobicContact CG-CE1 4.17Å; K253-Y291 HydrophobicContact CG-CG 4.47Å; A256-Y291 HydrophobicContact CB-CD2 3.59Å; A256-Y291 HydrophobicContact CB-CE2 3.96Å; P288-Y291 HydrophobicContact CG-CD2 4.02Å; P288-Y291 PolarHBondContact O-N 3.04Å; K289-Y291 PolarHBondContact O-N 3.26Å; Y291-R293 PolarHBondContact O-N 3.28Å; Y291-S297 PolarHBondContact O-OG 3.38Å |
| 292 | V | 67.2 | Low | 69.5 | Low | 35 Ų | 35 | 67 Ų | 67 | 21% | 0.212 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -28.8 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 113.2 | L283 Q284 L287 P288 S294 | L283-V292 HydrophobicContact CB-CB 4.45Å; L283-V292 HydrophobicContact CB-CG1 3.93Å; L283-V292 HydrophobicContact CB-CG2 4.28Å; Q284-V292 HydrophobicContact CG-CG1 4.47Å; L287-V292 HydrophobicContact CB-CG2 4.06Å; P288-V292 PolarHBondContact O-N 2.81Å; V292-S294 PolarHBondContact O-N 3.43Å |
| 293 | R | 59.1 | Low | 69.3 | Low | 159 Ų | 159 | 67.6 Ų | 67.6 | 60% | 0.6 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -6.3 | -164.7 | -57.4 | -176.6 | -177 | -174 | 0.3 | 116.7 | Y291 | Y291-R293 PolarHBondContact O-N 3.28Š|
| 294 | S | 59.3 | Low | 69.1 | Low | 43 Ų | 43 | 67.4 Ų | 67.4 | 30% | 0.301 | 31% | 0.306 | S | S | . | . | trans | -94.9 | 126.5 | -172.1 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | K253 V292 D296 S297 | K253-S294 PolarHBondContact NZ-OG 3.43Å; V292-S294 PolarHBondContact O-N 3.43Å; S294-D296 PolarHBondContact O-N 2.81Å; S294-D296 VanDerWaalsContact O-N 3.07Å; S294-S297 WeakPolarHBondContact CB-OG 3.37Å; S294-S297 WeakPolarHBondContact O-CB 3.24Å; S294-S297 PolarHBondContact O-N 3.45Å; S294-S297 PolarHBondContact O-OG 3.37Å | ||
| 295 | R | 52.4 | Low | 69.1 | Low | 178 Ų | 178 | 61.2 Ų | 61.2 | 67% | 0.672 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29 | -173.8 | -164.2 | 178.2 | -174.8 | 175.1 | 4 | 114.5 | D2376 | R295-D2376 IonicContact CZ-OD1 2.74Å; R295-D2376 IonicContact NH1-OD1 2.77Å; R295-D2376 PolarHBondContact NH1-OD1 3.2Å; R295-D2376 IonicContact NH2-OD1 2.82Å; R295-D2376 PolarHBondContact NH2-OD1 2.8Å |
| 296 | D | 65.3 | Low | 68.7 | Low | 87 Ų | 87 | 58.2 Ų | 58.2 | 47% | 0.465 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -0.7 | 178 | -65.3 | -48.3 | 0 | 0 | 0 | 114.2 | S294 K299 R300 | S294-D296 PolarHBondContact O-N 2.81Å; S294-D296 VanDerWaalsContact O-N 3.07Å; D296-K299 PolarHBondContact O-N 3.32Å; D296-R300 WeakPolarHBondContact O-CB 3.35Å; D296-R300 WeakPolarHBondContact O-CG 3.49Å; D296-R300 PolarHBondContact O-N 2.83Å |
| 297 | S | 68.1 | Low | 67.9 | Low | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.4 | -53.7 | -173.2 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | Y291 S294 K299 R300 I301 | Y291-S297 PolarHBondContact O-OG 3.38Å; S294-S297 WeakPolarHBondContact CB-OG 3.37Å; S294-S297 WeakPolarHBondContact O-CB 3.24Å; S294-S297 PolarHBondContact O-N 3.45Å; S294-S297 PolarHBondContact O-OG 3.37Å; S297-K299 VanDerWaalsContact C-N 3.29Å; S297-K299 PolarHBondContact O-N 3.35Å; S297-R300 PolarHBondContact O-N 3.38Å; S297-I301 VanDerWaalsContact O-CG1 3.29Å; S297-I301 WeakPolarHBondContact O-CG1 3.44Å; S297-I301 PolarHBondContact O-N 3.43Å |
| 298 | E | 70.1 | Confident | 67.1 | Low | 25 Ų | 25 | 60.7 Ų | 60.7 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 177.2 | -166.9 | -172 | -164.7 | 0 | 0 | 110.4 | N278 G279 F280 L281 L283 R300 I301 M302 | N278-E298 WeakPolarHBondContact CA-OE2 3.27Å; G279-E298 PolarHBondContact N-OE1 2.84Å; G279-E298 PolarHBondContact N-OE2 2.91Å; F280-E298 PolarHBondContact N-OE1 3.49Å; L281-E298 HydrophobicContact CB-CG 4.45Å; L281-E298 HydrophobicContact CD1-CG 4.4Å; L281-E298 PolarHBondContact N-OE1 2.87Å; L283-E298 HydrophobicContact CD2-CB 4.1Å; L283-E298 HydrophobicContact CD2-CG 4.49Å; E298-R300 VanDerWaalsContact C-N 3.34Å; E298-R300 PolarHBondContact O-N 3.46Å; E298-I301 PolarHBondContact O-N 3.4Å; E298-M302 HydrophobicContact CG-CE 4.3Å; E298-M302 HydrophobicContact CG-CG 4.29Å; E298-M302 WeakPolarHBondContact O-CB 3.25Å; E298-M302 WeakPolarHBondContact O-CG 3.21Å; E298-M302 PolarHBondContact O-N 3.45Å |
| 299 | K | 70.9 | Confident | 66.4 | Low | 123 Ų | 123 | 61.1 Ų | 61.1 | 54% | 0.535 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 178 | -169.9 | -179.2 | 179.3 | -175.2 | 0 | 112.4 | D296 S297 Q303 | D296-K299 PolarHBondContact O-N 3.32Å; S297-K299 VanDerWaalsContact C-N 3.29Å; S297-K299 PolarHBondContact O-N 3.35Å; K299-Q303 VanDerWaalsContact O-CB 3.26Å; K299-Q303 WeakPolarHBondContact O-CB 3.46Å; K299-Q303 PolarHBondContact O-N 3.04Å |
| 300 | R | 70.6 | Confident | 65.7 | Low | 110 Ų | 110 | 57.5 Ų | 57.5 | 42% | 0.415 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.1 | -43.1 | 174.7 | -78.3 | -174.3 | 177.9 | -150.3 | 3.1 | 111.8 | D254 F257 D296 S297 E298 Q303 V304 | D254-R300 IonicContact OD1-NH1 3.26Å; D254-R300 PolarHBondContact OD1-NH1 2.83Å; F257-R300 HydrophobicContact CD2-CB 4.18Å; F257-R300 HydrophobicContact CE2-CB 4.27Å; F257-R300 HydrophobicContact CE2-CG 4.48Å; F257-R300 HydrophobicContact CG-CB 4.4Å; D296-R300 WeakPolarHBondContact O-CB 3.35Å; D296-R300 WeakPolarHBondContact O-CG 3.49Å; D296-R300 PolarHBondContact O-N 2.83Å; S297-R300 PolarHBondContact O-N 3.38Å; E298-R300 VanDerWaalsContact C-N 3.34Å; E298-R300 PolarHBondContact O-N 3.46Å; R300-Q303 PolarHBondContact O-N 3.32Å; R300-Q303 VanDerWaalsContact O-N 3.17Å; R300-V304 WeakPolarHBondContact O-CG2 3.31Å; R300-V304 PolarHBondContact O-N 3.31Å |
| 301 | I | 73.2 | Confident | 64.9 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 174.5 | -67.3 | 165.1 | 0 | 0 | 0 | 109.9 | F257 A260 L281 L283 L287 S297 E298 Q303 V304 Y305 | F257-I301 HydrophobicContact CD1-CD1 4.29Å; F257-I301 HydrophobicContact CD1-CG1 3.88Å; A260-I301 HydrophobicContact CB-CD1 3.81Å; A260-I301 HydrophobicContact CB-CG1 3.83Å; A260-I301 HydrophobicContact CB-CG2 4.2Å; L281-I301 HydrophobicContact CD1-CB 4.37Å; L281-I301 HydrophobicContact CD1-CG2 3.64Å; L283-I301 HydrophobicContact CD2-CD1 3.83Å; L287-I301 HydrophobicContact CD1-CD1 3.81Å; L287-I301 HydrophobicContact CD2-CD1 4.31Å; L287-I301 HydrophobicContact CG-CD1 3.95Å; S297-I301 VanDerWaalsContact O-CG1 3.29Å; S297-I301 WeakPolarHBondContact O-CG1 3.44Å; S297-I301 PolarHBondContact O-N 3.43Å; E298-I301 PolarHBondContact O-N 3.4Å; I301-Q303 VanDerWaalsContact C-N 3.29Å; I301-Q303 PolarHBondContact O-N 2.85Å; I301-V304 PolarHBondContact O-N 2.89Å; I301-Y305 WeakPolarHBondContact O-CB 3.29Å; I301-Y305 PolarHBondContact O-N 2.9Å |
| 302 | M | 72.2 | Confident | 63.5 | Low | 9 Ų | 9 | 63 Ų | 63 | 4% | 0.044 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61 | -36.6 | 174.8 | -69.4 | -58.8 | -171.8 | 0 | 0 | 112.2 | Y271 H276 F280 L281 E298 Y305 F306 | Y271-M302 HydrophobicContact CD2-SD 4.48Å; Y271-M302 HydrophobicContact CE2-CB 4.23Å; Y271-M302 HydrophobicContact CE2-SD 3.95Å; H276-M302 HydrophobicContact CB-CE 3.99Å; H276-M302 HydrophobicContact CB-SD 3.8Å; F280-M302 HydrophobicContact CB-CE 3.77Å; F280-M302 HydrophobicContact CD1-CE 3.95Å; F280-M302 HydrophobicContact CG-CE 4.25Å; L281-M302 HydrophobicContact CD1-CE 3.85Å; L281-M302 HydrophobicContact CD1-SD 4.29Å; L281-M302 HydrophobicContact CG-CE 3.76Å; E298-M302 HydrophobicContact CG-CE 4.3Å; E298-M302 HydrophobicContact CG-CG 4.29Å; E298-M302 WeakPolarHBondContact O-CB 3.25Å; E298-M302 WeakPolarHBondContact O-CG 3.21Å; E298-M302 PolarHBondContact O-N 3.45Å; M302-Y305 HydrophobicContact SD-CD1 4.25Å; M302-F306 WeakPolarHBondContact O-CB 3.44Å; M302-F306 PolarHBondContact O-N 3.22Å |
| 303 | Q | 68.8 | Low | 62.5 | Low | 109 Ų | 109 | 68.3 Ų | 68.3 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.5 | -38.9 | 176.2 | -170.5 | 172.2 | 10.3 | 0 | 0 | 112.3 | K299 R300 I301 V307 | K299-Q303 VanDerWaalsContact O-CB 3.26Å; K299-Q303 WeakPolarHBondContact O-CB 3.46Å; K299-Q303 PolarHBondContact O-N 3.04Å; R300-Q303 PolarHBondContact O-N 3.32Å; R300-Q303 VanDerWaalsContact O-N 3.17Å; I301-Q303 VanDerWaalsContact C-N 3.29Å; I301-Q303 PolarHBondContact O-N 2.85Å; Q303-V307 WeakPolarHBondContact O-CB 3.42Å; Q303-V307 VanDerWaalsContact O-CG2 3.23Å; Q303-V307 WeakPolarHBondContact O-CG2 3.33Å; Q303-V307 PolarHBondContact O-N 3.26Å; Q303-V307 VanDerWaalsContact O-N 3.07Å |
| 304 | V | 67.5 | Low | 61.5 | Low | 26 Ų | 26 | 67.3 Ų | 67.3 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.6 | -48.6 | 172.3 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | L258 R300 I301 F306 V307 V308 | L258-V304 HydrophobicContact CD1-CG1 4.19Å; R300-V304 WeakPolarHBondContact O-CG2 3.31Å; R300-V304 PolarHBondContact O-N 3.31Å; I301-V304 PolarHBondContact O-N 2.89Å; V304-F306 PolarHBondContact O-N 2.99Å; V304-V307 CarbonylContact O-C 3.4Å; V304-V307 PolarHBondContact O-N 3.09Å; V304-V308 HydrophobicContact CG1-CG2 4.49Å; V304-V308 WeakPolarHBondContact O-CG2 3.49Å; V304-V308 PolarHBondContact O-N 2.93Å |
| 305 | Y | 72.2 | Confident | 60.3 | Low | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 178.3 | -177.7 | -157.1 | 0 | 0 | 0 | 111.4 | C264 F268 G269 Y271 H276 I301 M302 V307 V308 S309 | C264-Y305 HydrophobicContact CB-CD1 3.73Å; C264-Y305 HydrophobicContact CB-CD2 3.95Å; C264-Y305 HydrophobicContact CB-CE1 3.94Å; C264-Y305 HydrophobicContact CB-CE2 4.16Å; C264-Y305 HydrophobicContact CB-CG 3.77Å; F268-Y305 WeakPolarHBondContact CB-OH 3.41Å; G269-Y305 WeakPolarHBondContact O-CE2 3.49Å; G269-Y305 PolarHBondContact O-OH 3.32Å; Y271-Y305 AromaticContact CD2-CD1 3.64Å; Y271-Y305 HydrophobicContact CD2-CD1 3.64Å; Y271-Y305 HydrophobicContact CD2-CE1 4.02Å; Y271-Y305 HydrophobicContact CD2-CG 4.01Å; Y271-Y305 HydrophobicContact CG-CD1 4.49Å; H276-Y305 AromaticContact CE1-CE1 3.52Å; H276-Y305 AromaticContact CE1-CZ 3.69Å; H276-Y305 PolarHBondContact CE1-OH 2.92Å; H276-Y305 AromaticContact ND1-CE1 3.44Å; H276-Y305 WeakPolarHBondContact ND1-CE1 3.41Å; H276-Y305 AromaticContact ND1-CZ 3.97Å; I301-Y305 WeakPolarHBondContact O-CB 3.29Å; I301-Y305 PolarHBondContact O-N 2.9Å; M302-Y305 HydrophobicContact SD-CD1 4.25Å; Y305-V307 VanDerWaalsContact C-N 3.32Å; Y305-V307 PolarHBondContact O-N 3.13Å; Y305-V308 PolarHBondContact O-N 3.06Å; Y305-S309 WeakPolarHBondContact CE2-OG 3.47Å; Y305-S309 PolarHBondContact O-N 2.92Å; Y305-S309 PolarHBondContact O-OG 3.22Å |
| 306 | F | 67.7 | Low | 59.5 | Low | 49 Ų | 49 | 71.3 Ų | 71.3 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.1 | -41.5 | 171 | 173.9 | -98.9 | 0 | 0 | 0 | 112.8 | Y271 M302 V304 S309 N310 L313 | Y271-F306 HydrophobicContact CD1-CB 4.14Å; Y271-F306 AromaticContact CD1-CD2 3.6Å; Y271-F306 HydrophobicContact CD1-CD2 3.6Å; Y271-F306 HydrophobicContact CD1-CG 4.37Å; Y271-F306 HydrophobicContact CD2-CB 4.17Å; Y271-F306 HydrophobicContact CE1-CB 4.19Å; Y271-F306 AromaticContact CE1-CD2 3.58Å; Y271-F306 HydrophobicContact CE1-CD2 3.58Å; Y271-F306 HydrophobicContact CE1-CE2 4.47Å; Y271-F306 HydrophobicContact CE1-CG 4.33Å; Y271-F306 HydrophobicContact CE2-CB 4.24Å; Y271-F306 HydrophobicContact CG-CB 4.11Å; Y271-F306 HydrophobicContact CG-CD2 4.36Å; M302-F306 WeakPolarHBondContact O-CB 3.44Å; M302-F306 PolarHBondContact O-N 3.22Å; V304-F306 PolarHBondContact O-N 2.99Å; F306-S309 PolarHBondContact O-N 2.88Å; F306-N310 HydrophobicContact CD2-CB 3.81Å; F306-N310 HydrophobicContact CE2-CB 3.54Å; F306-N310 HydrophobicContact CG-CB 4.46Å; F306-N310 HydrophobicContact CZ-CB 3.98Å; F306-N310 WeakPolarHBondContact O-CB 3.36Å; F306-N310 PolarHBondContact O-N 3.42Å; F306-L313 HydrophobicContact CE1-CB 4.28Å; F306-L313 HydrophobicContact CZ-CB 4.13Å; F306-L313 HydrophobicContact CZ-CD1 4.3Å |
| 307 | V | 62.8 | Low | 58.3 | Low | 52 Ų | 52 | 73.1 Ų | 73.1 | 32% | 0.315 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70 | -31.4 | 178.1 | 167.9 | 0 | 0 | 0 | 0 | 112.4 | Q303 V304 Y305 | Q303-V307 WeakPolarHBondContact O-CB 3.42Å; Q303-V307 VanDerWaalsContact O-CG2 3.23Å; Q303-V307 WeakPolarHBondContact O-CG2 3.33Å; Q303-V307 PolarHBondContact O-N 3.26Å; Q303-V307 VanDerWaalsContact O-N 3.07Å; V304-V307 CarbonylContact O-C 3.4Å; V304-V307 PolarHBondContact O-N 3.09Å; Y305-V307 VanDerWaalsContact C-N 3.32Å; Y305-V307 PolarHBondContact O-N 3.13Å |
| 308 | V | 62.1 | Low | 56.8 | Low | 7 Ų | 7 | 77.1 Ų | 77.1 | 4% | 0.042 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 173.9 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | Q265 V304 Y305 G329 | Q265-V308 HydrophobicContact CB-CG1 4.14Å; Q265-V308 HydrophobicContact CG-CG1 3.92Å; V304-V308 HydrophobicContact CG1-CG2 4.49Å; V304-V308 WeakPolarHBondContact O-CG2 3.49Å; V304-V308 PolarHBondContact O-N 2.93Å; Y305-V308 PolarHBondContact O-N 3.06Å; V308-G329 PolarHBondContact O-N 3.42Å |
| 309 | S | 58.7 | Low | 55.6 | Low | 21 Ų | 21 | 80.9 Ų | 80.9 | 15% | 0.147 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -98.2 | -23.3 | -173 | -27.5 | 0 | 0 | 0 | 0 | 116.6 | Q265 Y271 Y305 F306 | Q265-S309 PolarHBondContact OE1-OG 3.46Å; Y271-S309 PolarHBondContact N-OG 2.89Å; Y305-S309 WeakPolarHBondContact CE2-OG 3.47Å; Y305-S309 PolarHBondContact O-N 2.92Å; Y305-S309 PolarHBondContact O-OG 3.22Å; F306-S309 PolarHBondContact O-N 2.88Å |
| 310 | N | 55.3 | Low | 54.3 | Low | 66 Ų | 66 | 81.5 Ų | 81.5 | 35% | 0.353 | 44% | 0.44 | S | S | . | . | trans | -114.6 | 137.3 | -172.3 | -82.3 | -76.8 | 0 | 0 | 0 | 115.1 | Y271 F306 | Y271-N310 PolarHBondContact O-ND2 3.37Å; F306-N310 HydrophobicContact CD2-CB 3.81Å; F306-N310 HydrophobicContact CE2-CB 3.54Å; F306-N310 HydrophobicContact CG-CB 4.46Å; F306-N310 HydrophobicContact CZ-CB 3.98Å; F306-N310 WeakPolarHBondContact O-CB 3.36Å; F306-N310 PolarHBondContact O-N 3.42Å | ||
| 311 | S | 47.3 | Very low | 53.2 | Low | 64 Ų | 64 | 79.6 Ų | 79.6 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | trans | -92.4 | -5.6 | -162.3 | 71.9 | 0 | 0 | 0 | 0 | 117 | R328 | S311-R328 PolarHBondContact O-NH1 2.97Å; S311-R328 PolarHBondContact O-NH2 3.29Å | ||
| 312 | H | 43.8 | Very low | 51.6 | Low | 161 Ų | 161 | 88.3 Ų | 88.3 | 75% | 0.745 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -141.2 | 14.2 | -152 | -103.2 | 86.1 | 0 | 0 | 0 | 120.8 | ||
| 313 | L | 44.7 | Very low | 50.3 | Low | 145 Ų | 145 | 92.6 Ų | 92.6 | 76% | 0.759 | 50% | 0.498 | S | S | * | . | trans | -123.2 | 150.7 | 173.3 | -84 | 92.8 | 0 | 0 | 0 | 115.1 | F306 | F306-L313 HydrophobicContact CE1-CB 4.28Å; F306-L313 HydrophobicContact CZ-CB 4.13Å; F306-L313 HydrophobicContact CZ-CD1 4.3Å | ||
| 314 | V | 37.7 | Very low | 49.4 | Very low | 138 Ų | 138 | 89.2 Ų | 89.2 | 84% | 0.836 | 48% | 0.481 | S | S | * | . | trans | -116 | 128.4 | -168.8 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 315 | C | 34.6 | Very low | 48.3 | Very low | 115 Ų | 115 | 96.9 Ų | 96.9 | 78% | 0.777 | 51% | 0.507 | S | S | * | . | trans | -146.6 | 145.7 | 164.4 | -135.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 316 | K | 36.2 | Very low | 47.3 | Very low | 191 Ų | 191 | 103.5 Ų | 103.5 | 83% | 0.83 | 54% | 0.542 | S | S | * | . | trans | -117.6 | 159.2 | -179.4 | -74.2 | 178.7 | 174.9 | 178.5 | 0 | 109.6 | ||||
| 317 | P | 39.9 | Very low | 46.7 | Very low | 125 Ų | 125 | 101.7 Ų | 101.7 | 81% | 0.812 | 54% | 0.535 | S | S | * | . | cis | -126.9 | 136.3 | -17.3 | 34.6 | -17.9 | 0 | 0 | 0 | 113.3 | ||||
| 318 | C | 37.2 | Very low | 46.2 | Very low | 84 Ų | 84 | 105.6 Ų | 105.6 | 57% | 0.568 | 54% | 0.544 | S | S | * | . | trans | -144.3 | 135.9 | 165.2 | -177.3 | 0 | 0 | 0 | 0 | 109 | Y320 V321 | C318-Y320 PolarHBondContact O-N 3Å; C318-V321 HydrophobicContact CB-CG2 3.99Å; C318-V321 WeakPolarHBondContact O-CB 3.39Å; C318-V321 WeakPolarHBondContact O-CG2 2.87Å; C318-V321 PolarHBondContact O-N 3.26Å | ||
| 319 | S | 44.7 | Very low | 46 | Very low | 104 Ų | 104 | 107.8 Ų | 107.8 | 73% | 0.727 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -35.9 | -167.9 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | V321 | S319-V321 PolarHBondContact O-N 2.94Š|
| 320 | Y | 44.3 | Very low | 46.3 | Very low | 135 Ų | 135 | 108.2 Ų | 108.2 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.3 | -14.6 | 179.7 | -76.5 | -81.3 | 0 | 0 | 0 | 114.7 | C318 K322 E323 Y324 | C318-Y320 PolarHBondContact O-N 3Å; Y320-K322 PolarHBondContact O-N 3.22Å; Y320-E323 PolarHBondContact O-N 3.33Å; Y320-Y324 WeakPolarHBondContact CB-OH 3.18Å |
| 321 | V | 46.4 | Very low | 47.2 | Very low | 70 Ų | 70 | 107.8 Ų | 107.8 | 42% | 0.424 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.8 | -15.8 | -177.7 | -177.8 | 0 | 0 | 0 | 0 | 113.3 | C318 S319 Y324 | C318-V321 HydrophobicContact CB-CG2 3.99Å; C318-V321 WeakPolarHBondContact O-CB 3.39Å; C318-V321 WeakPolarHBondContact O-CG2 2.87Å; C318-V321 PolarHBondContact O-N 3.26Å; S319-V321 PolarHBondContact O-N 2.94Å; V321-Y324 HydrophobicContact CB-CD2 4.38Å; V321-Y324 HydrophobicContact CG2-CD2 4.13Å; V321-Y324 HydrophobicContact CG2-CE2 4.47Å |
| 322 | K | 39.3 | Very low | 48.5 | Very low | 183 Ų | 183 | 110.1 Ų | 110.1 | 80% | 0.796 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.4 | -38.3 | 170.5 | -99.5 | -175.5 | 174.8 | -178.7 | 0 | 113.1 | Y320 | Y320-K322 PolarHBondContact O-N 3.22Å |
| 323 | E | 46.1 | Very low | 50 | Low | 100 Ų | 100 | 105.9 Ų | 105.9 | 47% | 0.467 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -77.9 | -39.5 | 179.1 | -67.8 | -168.8 | -178.3 | 0 | 0 | 112.1 | Y320 R325 N326 R342 | Y320-E323 PolarHBondContact O-N 3.33Å; E323-R325 PolarHBondContact O-N 2.86Å; E323-N326 PolarHBondContact O-N 3.07Å; E323-R342 IonicContact OE2-NH2 3.48Å; E323-R342 PolarHBondContact OE2-NH2 3.32Å |
| 324 | Y | 49 | Very low | 51.6 | Low | 37 Ų | 37 | 103.8 Ų | 103.8 | 15% | 0.145 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -58.9 | -21.1 | 179.3 | -53.6 | -32.7 | 0 | 0 | 0 | 113.1 | L258 Y320 V321 N326 L327 | L258-Y324 HydrophobicContact CD1-CD1 3.88Å; L258-Y324 HydrophobicContact CD1-CE1 3.51Å; L258-Y324 HydrophobicContact CD2-CE1 3.85Å; L258-Y324 HydrophobicContact CG-CE1 4.29Å; Y320-Y324 WeakPolarHBondContact CB-OH 3.18Å; V321-Y324 HydrophobicContact CB-CD2 4.38Å; V321-Y324 HydrophobicContact CG2-CD2 4.13Å; V321-Y324 HydrophobicContact CG2-CE2 4.47Å; Y324-N326 PolarHBondContact O-N 3.22Å; Y324-L327 PolarHBondContact O-N 2.91Å |
| 325 | R | 43.9 | Very low | 53.4 | Low | 187 Ų | 187 | 97.2 Ų | 97.2 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.1 | 177.7 | -148.7 | 177.6 | -165.4 | 176.9 | 3.8 | 114.1 | E323 | E323-R325 PolarHBondContact O-N 2.86Š|
| 326 | N | 52.5 | Low | 55.7 | Low | 140 Ų | 140 | 92.8 Ų | 92.8 | 75% | 0.749 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -9.5 | -177.7 | -65.9 | -13.4 | 0 | 0 | 0 | 113.5 | E323 Y324 | E323-N326 PolarHBondContact O-N 3.07Å; Y324-N326 PolarHBondContact O-N 3.22Å |
| 327 | L | 53.7 | Low | 57.9 | Low | 10 Ų | 10 | 86.1 Ų | 86.1 | 5% | 0.052 | 45% | 0.446 | C | S | . | . | trans | -99.6 | 28.4 | -171.1 | -57.1 | 178.3 | 0 | 0 | 0 | 113.4 | Y324 M330 E338 | Y324-L327 PolarHBondContact O-N 2.91Å; L327-M330 HydrophobicContact CB-SD 4Å; L327-M330 HydrophobicContact CD2-CE 4.32Å; L327-M330 HydrophobicContact CD2-SD 3.99Å; L327-E338 HydrophobicContact CD2-CG 3.79Å | ||
| 328 | R | 52.8 | Low | 59.8 | Low | 135 Ų | 135 | 81.3 Ų | 81.3 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 128.9 | -171 | -79.9 | -177.8 | 164.2 | -150.4 | -9.2 | 113.1 | S311 M330 | S311-R328 PolarHBondContact O-NH1 2.97Å; S311-R328 PolarHBondContact O-NH2 3.29Å; R328-M330 VanDerWaalsContact C-N 3.34Å; R328-M330 PolarHBondContact O-N 3.19Å |
| 329 | G | 57.9 | Low | 62 | Low | 53 Ų | 53 | 77.4 Ų | 77.4 | 55% | 0.546 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 29.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V308 | V308-G329 PolarHBondContact O-N 3.42Š|
| 330 | M | 65.7 | Low | 63.8 | Low | 30 Ų | 30 | 72.6 Ų | 72.6 | 15% | 0.148 | 35% | 0.352 | C | S | . | . | trans | -66.5 | 130.9 | -178 | -61.4 | -178.4 | 99.3 | 0 | 0 | 111.2 | Q265 L327 R328 E334 A335 E338 | Q265-M330 PolarHBondContact NE2-O 2.93Å; Q265-M330 VanDerWaalsContact NE2-O 3.15Å; L327-M330 HydrophobicContact CB-SD 4Å; L327-M330 HydrophobicContact CD2-CE 4.32Å; L327-M330 HydrophobicContact CD2-SD 3.99Å; R328-M330 VanDerWaalsContact C-N 3.34Å; R328-M330 PolarHBondContact O-N 3.19Å; M330-E334 HydrophobicContact CB-CB 3.95Å; M330-E334 HydrophobicContact CE-CB 4Å; M330-E334 HydrophobicContact CG-CB 4.37Å; M330-A335 HydrophobicContact CB-CB 4.38Å; M330-E338 HydrophobicContact CE-CB 3.71Å; M330-E338 HydrophobicContact CE-CG 4.2Å; M330-E338 HydrophobicContact SD-CB 4.38Å | ||
| 331 | S | 73.1 | Confident | 65.5 | Low | 57 Ų | 57 | 70.8 Ų | 70.8 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | trans | -63.7 | 163.6 | 166.2 | 63 | 0 | 0 | 0 | 0 | 111.6 | L333 E334 A335 | S331-L333 PolarHBondContact O-N 3.26Å; S331-L333 VanDerWaalsContact O-N 3.16Å; S331-E334 VanDerWaalsContact CB-OE2 3.29Å; S331-E334 WeakPolarHBondContact CB-OE2 3.34Å; S331-E334 PolarHBondContact N-OE2 3.12Å; S331-E334 PolarHBondContact O-N 3.49Å; S331-E334 VanDerWaalsContact O-N 3.09Å; S331-E334 VanDerWaalsContact OG-CD 3.29Å; S331-E334 WeakPolarHBondContact OG-CG 3.38Å; S331-E334 PolarHBondContact OG-N 2.95Å; S331-E334 PolarHBondContact OG-OE2 3.4Å; S331-A335 WeakPolarHBondContact O-CB 3.47Å; S331-A335 PolarHBondContact O-N 2.95Å | ||
| 332 | E | 74.6 | Confident | 67.1 | Low | 112 Ų | 112 | 69.3 Ų | 69.3 | 52% | 0.523 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -51.5 | -39.7 | 177 | -169.4 | -158.5 | 140.9 | 0 | 0 | 112.4 | I266 K336 | I266-E332 HydrophobicContact CG2-CG 4.2Å; E332-K336 WeakPolarHBondContact O-CB 3.42Å; E332-K336 VanDerWaalsContact O-CG 3.3Å; E332-K336 WeakPolarHBondContact O-CG 3.3Å; E332-K336 PolarHBondContact O-N 3.07Å; E332-K336 WeakPolarHBondContact OE1-CE 3.29Å; E332-K336 IonicContact OE1-NZ 2.72Å; E332-K336 PolarHBondContact OE1-NZ 3.34Å |
| 333 | L | 77 | Confident | 69 | Low | 73 Ų | 73 | 60.6 Ų | 60.6 | 38% | 0.382 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.5 | -45.1 | 179 | -169.4 | 73.1 | 0 | 0 | 0 | 111.7 | P230 L233 S331 K336 V337 | P230-L333 HydrophobicContact CB-CD1 3.97Å; L233-L333 HydrophobicContact CD2-CD1 4.05Å; S331-L333 PolarHBondContact O-N 3.26Å; S331-L333 VanDerWaalsContact O-N 3.16Å; L333-K336 PolarHBondContact O-N 3.49Å; L333-V337 WeakPolarHBondContact O-CG2 3.29Å; L333-V337 PolarHBondContact O-N 3.19Å |
| 334 | E | 76.5 | Confident | 70.3 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 177.7 | -70.8 | 163.1 | 135.6 | 0 | 0 | 111.5 | M330 S331 K336 V337 E338 | M330-E334 HydrophobicContact CB-CB 3.95Å; M330-E334 HydrophobicContact CE-CB 4Å; M330-E334 HydrophobicContact CG-CB 4.37Å; S331-E334 VanDerWaalsContact CB-OE2 3.29Å; S331-E334 WeakPolarHBondContact CB-OE2 3.34Å; S331-E334 PolarHBondContact N-OE2 3.12Å; S331-E334 PolarHBondContact O-N 3.49Å; S331-E334 VanDerWaalsContact O-N 3.09Å; S331-E334 VanDerWaalsContact OG-CD 3.29Å; S331-E334 WeakPolarHBondContact OG-CG 3.38Å; S331-E334 PolarHBondContact OG-N 2.95Å; S331-E334 PolarHBondContact OG-OE2 3.4Å; E334-K336 VanDerWaalsContact C-N 3.32Å; E334-K336 PolarHBondContact O-N 3.23Å; E334-V337 PolarHBondContact O-N 3.23Å; E334-E338 PolarHBondContact O-N 3.34Å |
| 335 | A | 76.8 | Confident | 71.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q265 I266 M330 S331 E338 Y339 | Q265-A335 HydrophobicContact CG-CB 4.39Å; I266-A335 HydrophobicContact CD1-CB 4.14Å; I266-A335 HydrophobicContact CG1-CB 3.55Å; M330-A335 HydrophobicContact CB-CB 4.38Å; S331-A335 WeakPolarHBondContact O-CB 3.47Å; S331-A335 PolarHBondContact O-N 2.95Å; A335-E338 PolarHBondContact O-N 3.19Å; A335-Y339 VanDerWaalsContact O-CB 3.27Å; A335-Y339 WeakPolarHBondContact O-CB 3.4Å; A335-Y339 PolarHBondContact O-N 2.69Å |
| 336 | K | 81.9 | Confident | 73.1 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 10% | 0.096 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 171.2 | -75.8 | 173.4 | 179.6 | 177.7 | 0 | 112.7 | L233 N234 Y237 I266 E332 L333 E334 V340 | L233-K336 HydrophobicContact CD2-CB 4.19Å; N234-K336 WeakPolarHBondContact OD1-CE 3.2Å; N234-K336 PolarHBondContact OD1-NZ 3.48Å; Y237-K336 HydrophobicContact CD1-CD 4.12Å; Y237-K336 HydrophobicContact CD1-CG 3.95Å; Y237-K336 HydrophobicContact CD2-CG 4.28Å; Y237-K336 HydrophobicContact CE1-CG 4.39Å; Y237-K336 HydrophobicContact CG-CB 4.47Å; Y237-K336 HydrophobicContact CG-CD 4.46Å; Y237-K336 HydrophobicContact CG-CG 3.89Å; I266-K336 HydrophobicContact CD1-CG 3.84Å; I266-K336 HydrophobicContact CG1-CG 4.19Å; I266-K336 HydrophobicContact CG2-CG 4.36Å; E332-K336 WeakPolarHBondContact O-CB 3.42Å; E332-K336 VanDerWaalsContact O-CG 3.3Å; E332-K336 WeakPolarHBondContact O-CG 3.3Å; E332-K336 PolarHBondContact O-N 3.07Å; E332-K336 WeakPolarHBondContact OE1-CE 3.29Å; E332-K336 IonicContact OE1-NZ 2.72Å; E332-K336 PolarHBondContact OE1-NZ 3.34Å; L333-K336 PolarHBondContact O-N 3.49Å; E334-K336 VanDerWaalsContact C-N 3.32Å; E334-K336 PolarHBondContact O-N 3.23Å; K336-V340 WeakPolarHBondContact O-CB 2.84Å; K336-V340 WeakPolarHBondContact O-CG2 3.34Å; K336-V340 PolarHBondContact O-N 3.19Å |
| 337 | V | 82.5 | Confident | 74.1 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.6 | -49.5 | 173.9 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | L233 L333 E334 V340 K341 | L233-V337 HydrophobicContact CD1-CG2 4.29Å; L233-V337 HydrophobicContact CD2-CB 4.46Å; L233-V337 HydrophobicContact CD2-CG2 3.46Å; L233-V337 VanDerWaalsContact CD2-CG2 3.46Å; L333-V337 WeakPolarHBondContact O-CG2 3.29Å; L333-V337 PolarHBondContact O-N 3.19Å; E334-V337 PolarHBondContact O-N 3.23Å; V337-V340 PolarHBondContact O-N 3.09Å; V337-K341 VanDerWaalsContact O-CB 3.26Å; V337-K341 WeakPolarHBondContact O-CB 3.45Å; V337-K341 PolarHBondContact O-N 2.86Å |
| 338 | E | 79.8 | Confident | 74.9 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.5 | -34.6 | -176.6 | -163.2 | 68.5 | -164.2 | 0 | 0 | 112.4 | L327 M330 E334 A335 K341 R342 | L327-E338 HydrophobicContact CD2-CG 3.79Å; M330-E338 HydrophobicContact CE-CB 3.71Å; M330-E338 HydrophobicContact CE-CG 4.2Å; M330-E338 HydrophobicContact SD-CB 4.38Å; E334-E338 PolarHBondContact O-N 3.34Å; A335-E338 PolarHBondContact O-N 3.19Å; E338-K341 VanDerWaalsContact CD-NZ 3.3Å; E338-K341 PolarHBondContact O-N 3.47Å; E338-K341 IonicContact OE1-NZ 2.8Å; E338-K341 PolarHBondContact OE1-NZ 2.83Å; E338-K341 WeakPolarHBondContact OE2-CD 3.47Å; E338-K341 IonicContact OE2-NZ 3.73Å; E338-K341 PolarHBondContact OE2-NZ 3.44Å; E338-R342 VanDerWaalsContact O-CB 3.28Å; E338-R342 WeakPolarHBondContact O-CB 3.35Å; E338-R342 PolarHBondContact O-N 2.86Å |
| 339 | Y | 84.5 | Confident | 75.9 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 172.2 | -165.2 | -67.4 | 0 | 0 | 0 | 110.9 | Y237 C240 R241 I244 F259 L262 Q263 I266 A335 C343 | Y237-Y339 AromaticContact CD2-CD1 3.74Å; Y237-Y339 HydrophobicContact CD2-CD1 3.74Å; Y237-Y339 HydrophobicContact CD2-CD2 4.25Å; Y237-Y339 HydrophobicContact CD2-CE1 4.24Å; Y237-Y339 AromaticContact CD2-CG 3.77Å; Y237-Y339 HydrophobicContact CD2-CG 3.77Å; Y237-Y339 AromaticContact CE2-CD1 3.99Å; Y237-Y339 HydrophobicContact CE2-CD1 3.99Å; Y237-Y339 AromaticContact CE2-CD2 3.77Å; Y237-Y339 HydrophobicContact CE2-CD2 3.77Å; Y237-Y339 HydrophobicContact CE2-CE1 4.2Å; Y237-Y339 AromaticContact CE2-CE2 3.98Å; Y237-Y339 HydrophobicContact CE2-CE2 3.98Å; Y237-Y339 AromaticContact CE2-CG 3.79Å; Y237-Y339 HydrophobicContact CE2-CG 3.79Å; C240-Y339 HydrophobicContact CB-CE1 4.29Å; R241-Y339 WeakPolarHBondContact CA-OH 3.36Å; R241-Y339 HydrophobicContact CB-CE1 4.27Å; I244-Y339 HydrophobicContact CD1-CE1 4.08Å; F259-Y339 HydrophobicContact CB-CE2 3.89Å; F259-Y339 AromaticContact CD1-CD1 3.99Å; F259-Y339 HydrophobicContact CD1-CD1 3.99Å; F259-Y339 HydrophobicContact CD1-CD2 4.01Å; F259-Y339 AromaticContact CD1-CE1 3.8Å; F259-Y339 HydrophobicContact CD1-CE1 3.8Å; F259-Y339 AromaticContact CD1-CE2 3.83Å; F259-Y339 HydrophobicContact CD1-CE2 3.83Å; F259-Y339 HydrophobicContact CD1-CG 4.08Å; F259-Y339 AromaticContact CD1-CZ 3.71Å; F259-Y339 HydrophobicContact CE1-CD1 4.28Å; F259-Y339 HydrophobicContact CE1-CE1 4.31Å; F259-Y339 HydrophobicContact CG-CE2 4.33Å; F259-Y339 WeakPolarHBondContact O-CE2 3.48Å; L262-Y339 HydrophobicContact CB-CD2 3.79Å; L262-Y339 HydrophobicContact CD1-CD2 4.46Å; Q263-Y339 HydrophobicContact CB-CE2 4.23Å; I266-Y339 HydrophobicContact CD1-CD2 4.27Å; A335-Y339 VanDerWaalsContact O-CB 3.27Å; A335-Y339 WeakPolarHBondContact O-CB 3.4Å; A335-Y339 PolarHBondContact O-N 2.69Å; Y339-C343 VanDerWaalsContact O-CB 3.28Å; Y339-C343 WeakPolarHBondContact O-CB 3.42Å; Y339-C343 PolarHBondContact O-N 3.45Å |
| 340 | V | 81.1 | Confident | 76.4 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 177.5 | 166.7 | 0 | 0 | 0 | 0 | 111.2 | L233 L236 K336 V337 C343 R344 | L233-V340 HydrophobicContact CD1-CB 4.3Å; L233-V340 HydrophobicContact CD1-CG1 4.37Å; L233-V340 HydrophobicContact CD1-CG2 4.18Å; L236-V340 HydrophobicContact CD2-CG1 3.66Å; L236-V340 HydrophobicContact CG-CG1 4.27Å; K336-V340 WeakPolarHBondContact O-CB 2.84Å; K336-V340 WeakPolarHBondContact O-CG2 3.34Å; K336-V340 PolarHBondContact O-N 3.19Å; V337-V340 PolarHBondContact O-N 3.09Å; V340-C343 PolarHBondContact O-N 2.92Å; V340-R344 WeakPolarHBondContact O-CG 3.49Å; V340-R344 PolarHBondContact O-N 3.27Å |
| 341 | K | 80.4 | Confident | 76.9 | Confident | 96 Ų | 96 | 49.5 Ų | 49.5 | 42% | 0.417 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.8 | -51.9 | 178.4 | 178.6 | -177.3 | 156.4 | -136 | 0 | 111.7 | V337 E338 C343 R344 D345 | V337-K341 VanDerWaalsContact O-CB 3.26Å; V337-K341 WeakPolarHBondContact O-CB 3.45Å; V337-K341 PolarHBondContact O-N 2.86Å; E338-K341 VanDerWaalsContact CD-NZ 3.3Å; E338-K341 PolarHBondContact O-N 3.47Å; E338-K341 IonicContact OE1-NZ 2.8Å; E338-K341 PolarHBondContact OE1-NZ 2.83Å; E338-K341 WeakPolarHBondContact OE2-CD 3.47Å; E338-K341 IonicContact OE2-NZ 3.73Å; E338-K341 PolarHBondContact OE2-NZ 3.44Å; K341-C343 VanDerWaalsContact C-N 3.28Å; K341-C343 PolarHBondContact O-N 3.01Å; K341-R344 WeakPolarHBondContact O-CB 3.01Å; K341-R344 PolarHBondContact O-N 2.84Å; K341-D345 PolarHBondContact O-N 3.39Å |
| 342 | R | 80.1 | Confident | 77.1 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58 | -38.7 | 174.3 | -84.3 | -95.2 | 173.4 | 67.9 | -12.6 | 112.2 | F259 E323 E338 R344 D345 L346 | F259-R342 HydrophobicContact CE1-CB 3.78Å; F259-R342 HydrophobicContact CZ-CB 3.98Å; E323-R342 IonicContact OE2-NH2 3.48Å; E323-R342 PolarHBondContact OE2-NH2 3.32Å; E338-R342 VanDerWaalsContact O-CB 3.28Å; E338-R342 WeakPolarHBondContact O-CB 3.35Å; E338-R342 PolarHBondContact O-N 2.86Å; R342-R344 VanDerWaalsContact C-N 3.33Å; R342-D345 PolarHBondContact O-N 3.08Å; R342-L346 PolarHBondContact O-N 2.86Å |
| 343 | C | 78.2 | Confident | 77.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.2 | -34.9 | 176.3 | -168.1 | 0 | 0 | 0 | 0 | 112.2 | C240 F259 Y339 V340 K341 L346 Y349 | C240-C343 HydrophobicContact CB-CB 4.13Å; F259-C343 HydrophobicContact CE1-CB 4.12Å; F259-C343 HydrophobicContact CZ-CB 4.26Å; Y339-C343 VanDerWaalsContact O-CB 3.28Å; Y339-C343 WeakPolarHBondContact O-CB 3.42Å; Y339-C343 PolarHBondContact O-N 3.45Å; V340-C343 PolarHBondContact O-N 2.92Å; K341-C343 VanDerWaalsContact C-N 3.28Å; K341-C343 PolarHBondContact O-N 3.01Å; C343-L346 WeakPolarHBondContact O-CB 3.39Å; C343-L346 WeakPolarHBondContact O-CG 3.45Å; C343-L346 PolarHBondContact O-N 3.47Å; C343-Y349 WeakPolarHBondContact O-CB 3.44Å |
| 344 | R | 74.9 | Confident | 77.5 | Confident | 91 Ų | 91 | 43.2 Ų | 43.2 | 34% | 0.343 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -72.7 | -28 | 173.9 | -72.4 | 174.7 | 57.1 | 166.5 | 5.4 | 114.2 | D222 V340 K341 R342 L346 Y349 | D222-R344 PolarHBondContact O-NH1 3.07Å; D222-R344 PolarHBondContact O-NH2 3.43Å; V340-R344 WeakPolarHBondContact O-CG 3.49Å; V340-R344 PolarHBondContact O-N 3.27Å; K341-R344 WeakPolarHBondContact O-CB 3.01Å; K341-R344 PolarHBondContact O-N 2.84Å; R342-R344 VanDerWaalsContact C-N 3.33Å; R344-L346 PolarHBondContact O-N 2.97Å; R344-Y349 HydrophobicContact CG-CE1 4.12Å; R344-Y349 HydrophobicContact CG-CE2 4.49Å |
| 345 | D | 76.2 | Confident | 77.6 | Confident | 113 Ų | 113 | 42.5 Ų | 42.5 | 60% | 0.604 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -73.9 | -13.7 | 176.1 | -64.4 | -29.3 | 0 | 0 | 0 | 112.2 | K341 R342 K347 | K341-D345 PolarHBondContact O-N 3.39Å; R342-D345 PolarHBondContact O-N 3.08Å; D345-K347 PolarHBondContact O-N 3.39Å |
| 346 | L | 74.1 | Confident | 77.5 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -66.5 | 128.9 | 173.7 | -61.3 | 172 | 0 | 0 | 0 | 111.2 | V251 E255 F259 R342 C343 R344 T348 Y349 | V251-L346 HydrophobicContact CG1-CD1 3.52Å; V251-L346 HydrophobicContact CG1-CD2 4.12Å; V251-L346 HydrophobicContact CG1-CG 4.49Å; E255-L346 WeakPolarHBondContact OE1-CD2 3.31Å; F259-L346 HydrophobicContact CE2-CD1 4.04Å; F259-L346 HydrophobicContact CE2-CD2 4.31Å; F259-L346 HydrophobicContact CZ-CD1 4Å; F259-L346 HydrophobicContact CZ-CD2 4.49Å; F259-L346 HydrophobicContact CZ-CG 4.36Å; R342-L346 PolarHBondContact O-N 2.86Å; C343-L346 WeakPolarHBondContact O-CB 3.39Å; C343-L346 WeakPolarHBondContact O-CG 3.45Å; C343-L346 PolarHBondContact O-N 3.47Å; R344-L346 PolarHBondContact O-N 2.97Å; L346-T348 PolarHBondContact O-N 2.98Å; L346-Y349 WeakPolarHBondContact O-CB 3.29Å; L346-Y349 PolarHBondContact O-N 3.38Å |
| 347 | K | 73.3 | Confident | 76.7 | Confident | 163 Ų | 163 | 46 Ų | 46 | 71% | 0.709 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -15.7 | 171.5 | -63.2 | 178.3 | -177.5 | 173.5 | 0 | 113.8 | D345 V406 | D345-K347 PolarHBondContact O-N 3.39Å; K347-V406 HydrophobicContact CB-CG2 4.24Å; K347-V406 HydrophobicContact CD-CG2 4.27Å |
| 348 | T | 72.1 | Confident | 75.2 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -7.9 | -179.9 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | P250 L346 V351 F353 | P250-T348 HydrophobicContact CB-CG2 4.31Å; P250-T348 WeakPolarHBondContact O-CB 3.25Å; P250-T348 VanDerWaalsContact O-CG2 3.32Å; P250-T348 WeakPolarHBondContact O-CG2 3.29Å; P250-T348 PolarHBondContact O-OG1 3.19Å; L346-T348 PolarHBondContact O-N 2.98Å; T348-V351 PolarHBondContact O-N 3.44Å; T348-F353 HydrophobicContact CG2-CE2 4.09Å; T348-F353 HydrophobicContact CG2-CZ 3.71Å |
| 349 | Y | 72.5 | Confident | 73.7 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 132.5 | 176.6 | -174.4 | -99 | 0 | 0 | 0 | 111.5 | F219 C343 R344 L346 V351 | F219-Y349 HydrophobicContact CD1-CE1 4.4Å; F219-Y349 AromaticContact CD1-CZ 3.95Å; F219-Y349 VanDerWaalsContact CD1-OH 3.25Å; F219-Y349 WeakPolarHBondContact CD1-OH 3.21Å; F219-Y349 WeakPolarHBondContact CE1-OH 3.23Å; C343-Y349 WeakPolarHBondContact O-CB 3.44Å; R344-Y349 HydrophobicContact CG-CE1 4.12Å; R344-Y349 HydrophobicContact CG-CE2 4.49Å; L346-Y349 WeakPolarHBondContact O-CB 3.29Å; L346-Y349 PolarHBondContact O-N 3.38Å; Y349-V351 VanDerWaalsContact C-N 3.28Å; Y349-V351 PolarHBondContact O-N 2.79Å |
| 350 | G | 68.8 | Low | 71.5 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 32% | 0.32 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 9.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 351 | V | 75.8 | Confident | 69.3 | Low | 11 Ų | 11 | 46.6 Ų | 46.6 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | trans | -103 | 137.8 | -180 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | T348 Y349 F353 G390 N392 M397 | T348-V351 PolarHBondContact O-N 3.44Å; Y349-V351 VanDerWaalsContact C-N 3.28Å; Y349-V351 PolarHBondContact O-N 2.79Å; V351-F353 HydrophobicContact CB-CD2 4.42Å; V351-F353 HydrophobicContact CB-CE2 3.67Å; V351-F353 HydrophobicContact CB-CZ 3.74Å; V351-F353 HydrophobicContact CG1-CD2 4.44Å; V351-F353 HydrophobicContact CG1-CE1 3.96Å; V351-F353 HydrophobicContact CG1-CE2 3.89Å; V351-F353 HydrophobicContact CG1-CZ 3.61Å; V351-F353 HydrophobicContact CG2-CZ 4.48Å; V351-G390 VanDerWaalsContact CG1-CA 3.41Å; V351-N392 HydrophobicContact CG1-CB 4.48Å; V351-N392 HydrophobicContact CG2-CB 4.19Å; V351-M397 HydrophobicContact CG2-CE 4.47Å | ||
| 352 | T | 78 | Confident | 66.9 | Low | 53 Ų | 53 | 43.8 Ų | 43.8 | 33% | 0.325 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 112.5 | 175.8 | -48.2 | 0 | 0 | 0 | 0 | 109.7 | F354 G390 V391 L450 | T352-F354 HydrophobicContact CG2-CE2 3.85Å; T352-F354 HydrophobicContact CG2-CZ 3.96Å; T352-G390 CarbonylContact O-C 3.5Å; T352-G390 WeakPolarHBondContact O-CA 3.28Å; T352-V391 PolarHBondContact N-O 2.96Å; T352-V391 PolarHBondContact O-N 3.42Å; T352-L450 HydrophobicContact CG2-CD1 4.11Å |
| 353 | F | 80.6 | Confident | 64.5 | Low | 41 Ų | 41 | 46.7 Ų | 46.7 | 18% | 0.18 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134.8 | -177.5 | -69.8 | -77 | 0 | 0 | 0 | 113.3 | P250 T348 V351 L388 L389 G390 V399 | P250-F353 HydrophobicContact CG-CD2 3.81Å; P250-F353 HydrophobicContact CG-CE2 4.01Å; P250-F353 HydrophobicContact CG-CG 4.12Å; T348-F353 HydrophobicContact CG2-CE2 4.09Å; T348-F353 HydrophobicContact CG2-CZ 3.71Å; V351-F353 HydrophobicContact CB-CD2 4.42Å; V351-F353 HydrophobicContact CB-CE2 3.67Å; V351-F353 HydrophobicContact CB-CZ 3.74Å; V351-F353 HydrophobicContact CG1-CD2 4.44Å; V351-F353 HydrophobicContact CG1-CE1 3.96Å; V351-F353 HydrophobicContact CG1-CE2 3.89Å; V351-F353 HydrophobicContact CG1-CZ 3.61Å; V351-F353 HydrophobicContact CG2-CZ 4.48Å; F353-L388 HydrophobicContact CD1-CB 4.13Å; F353-L389 WeakPolarHBondContact CA-O 3.25Å; F353-G390 VanDerWaalsContact CD1-CA 3.44Å; F353-V399 HydrophobicContact CE1-CB 4.41Å; F353-V399 HydrophobicContact CE1-CG2 3.78Å |
| 354 | F | 80.2 | Confident | 62.2 | Low | 16 Ų | 16 | 51.8 Ų | 51.8 | 7% | 0.07 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 132.8 | 171.4 | -63.3 | -86.3 | 0 | 0 | 0 | 109.8 | T352 V356 L388 L389 V391 E443 I447 L450 | T352-F354 HydrophobicContact CG2-CE2 3.85Å; T352-F354 HydrophobicContact CG2-CZ 3.96Å; F354-V356 HydrophobicContact CB-CG1 4.01Å; F354-V356 PolarHBondContact O-N 3.29Å; F354-L388 CarbonylContact O-C 3.2Å; F354-L388 WeakPolarHBondContact O-CA 3.34Å; F354-L389 HydrophobicContact CB-CB 4.49Å; F354-L389 PolarHBondContact N-O 3.36Å; F354-L389 PolarHBondContact O-N 2.88Å; F354-V391 HydrophobicContact CD2-CG2 4.34Å; F354-V391 HydrophobicContact CE2-CG2 4.26Å; F354-E443 HydrophobicContact CD1-CB 4.41Å; F354-E443 WeakPolarHBondContact CD1-OE2 3.32Å; F354-I447 HydrophobicContact CB-CD1 4.07Å; F354-I447 HydrophobicContact CB-CG1 4.49Å; F354-I447 HydrophobicContact CD1-CD1 4.17Å; F354-I447 HydrophobicContact CD1-CG1 3.81Å; F354-I447 HydrophobicContact CD2-CD1 4.23Å; F354-I447 HydrophobicContact CD2-CG1 3.83Å; F354-I447 HydrophobicContact CE1-CG1 3.94Å; F354-I447 HydrophobicContact CE2-CG1 3.96Å; F354-I447 HydrophobicContact CG-CD1 3.88Å; F354-I447 HydrophobicContact CG-CG1 3.76Å; F354-I447 HydrophobicContact CZ-CG1 4.02Å; F354-L450 HydrophobicContact CE2-CD1 3.99Å; F354-L450 HydrophobicContact CZ-CD1 3.59Å |
| 355 | L | 77.7 | Confident | 59.9 | Low | 85 Ų | 85 | 57.4 Ų | 57.4 | 45% | 0.445 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 116.8 | 168 | -176.2 | 64.7 | 0 | 0 | 0 | 108.6 | P386 L388 | L355-P386 HydrophobicContact CD1-CB 4.24Å; L355-L388 HydrophobicContact CB-CD2 4.4Å; L355-L388 HydrophobicContact CD1-CD2 4.09Å |
| 356 | V | 74.1 | Confident | 57.6 | Low | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.8 | -177.6 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | F354 V358 R387 L389 V439 I447 | F354-V356 HydrophobicContact CB-CG1 4.01Å; F354-V356 PolarHBondContact O-N 3.29Å; V356-V358 HydrophobicContact CG2-CG2 3.82Å; V356-R387 HydrophobicContact CG2-CB 4.49Å; V356-R387 PolarHBondContact N-O 3.27Å; V356-R387 PolarHBondContact O-N 2.62Å; V356-R387 VanDerWaalsContact O-O 3.05Å; V356-L389 HydrophobicContact CG1-CB 4.04Å; V356-L389 HydrophobicContact CG1-CD2 4.44Å; V356-L389 HydrophobicContact CG2-CB 3.79Å; V356-V439 HydrophobicContact CB-CB 3.99Å; V356-V439 HydrophobicContact CB-CG1 4.5Å; V356-V439 HydrophobicContact CB-CG2 3.97Å; V356-V439 HydrophobicContact CG1-CG2 4.09Å; V356-V439 HydrophobicContact CG2-CB 4.16Å; V356-V439 HydrophobicContact CG2-CG1 4.11Å; V356-V439 HydrophobicContact CG2-CG2 4.35Å; V356-I447 HydrophobicContact CG1-CD1 4.34Å |
| 357 | K | 64.9 | Low | 55.4 | Low | 94 Ų | 94 | 62 Ų | 62 | 41% | 0.409 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 108.6 | 173.9 | -69.5 | -178.7 | -179.6 | -178.8 | 0 | 108.3 | L384 Q440 | K357-L384 HydrophobicContact CB-CD2 4.25Å; K357-Q440 HydrophobicContact CB-CB 4.15Å; K357-Q440 PolarHBondContact N-O 3.03Å; K357-Q440 PolarHBondContact O-N 3.42Å |
| 358 | V | 52.7 | Low | 53.2 | Low | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 142.1 | -168 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | V356 A360 K377 V385 R387 Y437 V439 | V356-V358 HydrophobicContact CG2-CG2 3.82Å; V358-A360 HydrophobicContact CG1-CB 4.2Å; V358-K377 WeakPolarHBondContact O-CD 3.31Å; V358-K377 PolarHBondContact O-NZ 3.07Å; V358-V385 PolarHBondContact N-O 2.98Å; V358-R387 HydrophobicContact CB-CG 4.01Å; V358-R387 HydrophobicContact CG2-CB 3.57Å; V358-R387 HydrophobicContact CG2-CG 3.44Å; V358-R387 VanDerWaalsContact CG2-CG 3.44Å; V358-Y437 HydrophobicContact CG1-CE2 3.82Å; V358-Y437 WeakPolarHBondContact CG2-OH 3.39Å; V358-V439 HydrophobicContact CB-CG1 4.39Å; V358-V439 HydrophobicContact CG1-CG1 4.37Å; V358-V439 HydrophobicContact CG2-CG1 3.85Å |
| 359 | V | 48.3 | Very low | 51 | Low | 60 Ų | 60 | 66 Ų | 66 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | trans | -101.2 | 113.8 | 158.1 | -169.6 | 0 | 0 | 0 | 0 | 105.3 | L384 S438 | V359-L384 HydrophobicContact CG2-CD2 4.45Å; V359-S438 PolarHBondContact N-O 3.05Å | ||
| 360 | A | 38.4 | Very low | 48.8 | Very low | 21 Ų | 21 | 74.7 Ų | 74.7 | 17% | 0.174 | 41% | 0.408 | C | S | . | . | trans | -96.8 | 121.4 | -159.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V358 K377 | V358-A360 HydrophobicContact CG1-CB 4.2Å; A360-K377 HydrophobicContact CB-CB 3.89Å; A360-K377 HydrophobicContact CB-CD 4.39Å; A360-K377 HydrophobicContact CB-CG 4.22Å; A360-K377 WeakPolarHBondContact CB-O 3.28Å | ||
| 361 | S | 33.5 | Very low | 46.7 | Very low | 10 Ų | 10 | 76.6 Ų | 76.6 | 7% | 0.07 | 43% | 0.428 | C | S | . | . | trans | -131.4 | 129.5 | -177.8 | 49 | 0 | 0 | 0 | 0 | 112.5 | Y436 | S361-Y436 PolarHBondContact OG-O 2.96Š| ||
| 362 | C | 30.4 | Very low | 44.4 | Very low | 36 Ų | 36 | 83.7 Ų | 83.7 | 24% | 0.243 | 47% | 0.471 | C | S | . | . | trans | 55.9 | 144.4 | 161.7 | -73.5 | 0 | 0 | 0 | 0 | 120.9 | K379 A435 | C362-K379 PolarHBondContact SG-NZ 2.94Å; C362-A435 HydrophobicContact CB-CB 4.19Å | ||
| 363 | L | 30.7 | Very low | 41.8 | Very low | 101 Ų | 101 | 85.8 Ų | 85.8 | 53% | 0.529 | 49% | 0.486 | S | S | . | . | cis | -150.5 | 168.4 | 33.6 | -74.6 | 168.5 | 0 | 0 | 0 | 112.1 | Q433 | L363-Q433 HydrophobicContact CD1-CG 4.01Å; L363-Q433 HydrophobicContact CG-CG 4.32Å | ||
| 364 | P | 28.2 | Very low | 39.2 | Very low | 106 Ų | 106 | 89.5 Ų | 89.5 | 69% | 0.688 | 51% | 0.508 | S | S | * | . | trans | -106.7 | 146.8 | -179.2 | 38.3 | -30.4 | 0 | 0 | 0 | 115.9 | ||||
| 365 | F | 27.8 | Very low | 36.6 | Very low | 209 Ų | 209 | 96 Ų | 96 | 92% | 0.917 | 54% | 0.536 | S | S | * | . | trans | -163.6 | 170.4 | 150.4 | -141.8 | -108.6 | 0 | 0 | 0 | 113.7 | ||||
| 366 | S | 26.8 | Very low | 34.2 | Very low | 77 Ų | 77 | 97.5 Ų | 97.5 | 54% | 0.538 | 54% | 0.541 | S | S | . | . | trans | -87.3 | 159.2 | -153.6 | 62.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 367 | L | 28.1 | Very low | 32.2 | Very low | 148 Ų | 148 | 98.3 Ų | 98.3 | 78% | 0.775 | 54% | 0.544 | S | S | * | . | trans | 115 | 110.9 | 148.1 | -67.3 | 160.5 | 0 | 0 | 0 | 119.2 | ||||
| 368 | L | 27.2 | Very low | 31 | Very low | 156 Ų | 156 | 97.7 Ų | 97.7 | 82% | 0.817 | 54% | 0.543 | S | S | * | . | trans | 64.5 | 117.8 | 139.5 | -72.6 | 161.8 | 0 | 0 | 0 | 122.5 | ||||
| 369 | S | 26.4 | Very low | 30.5 | Very low | 99 Ų | 99 | 100.9 Ų | 100.9 | 69% | 0.692 | 56% | 0.557 | S | S | * | * | trans | 91.8 | 111 | 132.1 | -157 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 370 | F | 25.8 | Very low | 30.4 | Very low | 211 Ų | 211 | 98.4 Ų | 98.4 | 93% | 0.925 | 54% | 0.544 | S | S | * | . | trans | 57 | 105.1 | 149.6 | -83.4 | -100.9 | 0 | 0 | 0 | 120.9 | ||||
| 371 | G | 25.2 | Very low | 30.6 | Very low | 71 Ų | 71 | 100.7 Ų | 100.7 | 73% | 0.732 | 55% | 0.55 | S | S | * | . | 115.8 | 128.2 | 127.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 372 | V | 27.2 | Very low | 31.2 | Very low | 160 Ų | 160 | 105 Ų | 105 | 97% | 0.97 | 57% | 0.572 | S | S | * | * | trans | 81.3 | 145.8 | 161.4 | -168 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 373 | C | 23.4 | Very low | 31.9 | Very low | 96 Ų | 96 | 109.2 Ų | 109.2 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | trans | -105.6 | 124.1 | -154.3 | -178.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 374 | L | 25.8 | Very low | 33 | Very low | 120 Ų | 120 | 108 Ų | 108 | 63% | 0.628 | 58% | 0.58 | S | S | * | * | trans | -139.1 | 112.7 | 164.5 | -79 | 170 | 0 | 0 | 0 | 109.1 | T403 | L374-T403 HydrophobicContact CD1-CG2 4.23Å; L374-T403 HydrophobicContact CD2-CG2 4.11Å | ||
| 375 | K | 26.8 | Very low | 34.4 | Very low | 152 Ų | 152 | 104.4 Ų | 104.4 | 66% | 0.661 | 56% | 0.556 | S | S | * | * | trans | -84.2 | 124.4 | -175.8 | -70.5 | -177.9 | 176.3 | -179.9 | 0 | 112 | ||||
| 376 | E | 25.8 | Very low | 36.2 | Very low | 117 Ų | 117 | 96.3 Ų | 96.3 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | trans | -75.1 | 165.8 | 169.9 | -67.2 | -166.8 | 109.4 | 0 | 0 | 112.6 | M378 R398 | E376-M378 VanDerWaalsContact C-N 3.31Å; E376-M378 PolarHBondContact O-N 3.3Å; E376-M378 VanDerWaalsContact O-N 3.09Å; E376-R398 IonicContact OE1-NH2 3.23Å | ||
| 377 | K | 33.3 | Very low | 38.3 | Very low | 17 Ų | 17 | 93.7 Ų | 93.7 | 7% | 0.074 | 50% | 0.502 | C | S | . | . | trans | -70.1 | 97.4 | 151.5 | 179.7 | 172.5 | -172.3 | 168 | 0 | 106 | V358 A360 K383 V385 | V358-K377 WeakPolarHBondContact O-CD 3.31Å; V358-K377 PolarHBondContact O-NZ 3.07Å; A360-K377 HydrophobicContact CB-CB 3.89Å; A360-K377 HydrophobicContact CB-CD 4.39Å; A360-K377 HydrophobicContact CB-CG 4.22Å; A360-K377 WeakPolarHBondContact CB-O 3.28Å; K377-K383 WeakPolarHBondContact CD-O 3.42Å; K377-K383 WeakPolarHBondContact CE-O 3.25Å; K377-K383 WeakPolarHBondContact CG-O 3.35Å; K377-V385 HydrophobicContact CB-CB 4.1Å; K377-V385 HydrophobicContact CB-CG2 3.75Å | ||
| 378 | M | 39.7 | Very low | 40.8 | Very low | 81 Ų | 81 | 87.6 Ų | 87.6 | 40% | 0.399 | 47% | 0.471 | S | S | . | . | trans | -62.2 | 142.8 | -174.1 | -66.9 | 169.1 | 167 | 0 | 0 | 110.5 | E376 G380 K381 | E376-M378 VanDerWaalsContact C-N 3.31Å; E376-M378 PolarHBondContact O-N 3.3Å; E376-M378 VanDerWaalsContact O-N 3.09Å; M378-G380 PolarHBondContact O-N 3.11Å; M378-K381 HydrophobicContact CB-CB 4.43Å; M378-K381 PolarHBondContact O-N 3.45Å; M378-K381 VanDerWaalsContact O-N 3.17Å; M378-K381 HydrophobicContact SD-CD 4.24Å | ||
| 379 | K | 42.1 | Very low | 43.5 | Very low | 71 Ų | 71 | 80.2 Ų | 80.2 | 31% | 0.309 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 134.8 | 157.9 | -74.2 | -176.4 | 170.5 | -167.7 | 0 | 108 | C362 Q1870 | C362-K379 PolarHBondContact SG-NZ 2.94Å; K379-Q1870 HydrophobicContact CB-CG 4.43Å; K379-Q1870 PolarHBondContact O-NE2 3.33Å; K379-Q1870 PolarHBondContact O-OE1 3.48Å; K379-Q1870 VanDerWaalsContact O-OE1 3.05Å |
| 380 | G | 45.4 | Very low | 46.2 | Very low | 8 Ų | 8 | 75.5 Ų | 75.5 | 8% | 0.082 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 8.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | M378 C1867 | M378-G380 PolarHBondContact O-N 3.11Å; G380-C1867 WeakPolarHBondContact CA-SG 3.28Å |
| 381 | K | 43.8 | Very low | 49 | Very low | 69 Ų | 69 | 65.5 Ų | 65.5 | 30% | 0.3 | 36% | 0.355 | S | S | . | . | trans | -132.2 | 126.2 | 175.6 | -66.8 | -173.1 | 176.5 | 179.2 | 0 | 114.3 | M378 K383 E1893 S1897 | M378-K381 HydrophobicContact CB-CB 4.43Å; M378-K381 PolarHBondContact O-N 3.45Å; M378-K381 VanDerWaalsContact O-N 3.17Å; M378-K381 HydrophobicContact SD-CD 4.24Å; K381-K383 VanDerWaalsContact C-N 3.26Å; K381-K383 PolarHBondContact O-N 2.86Å; K381-E1893 IonicContact NZ-OE1 2.87Å; K381-E1893 PolarHBondContact NZ-OE1 2.92Å; K381-S1897 WeakPolarHBondContact CE-OG 3.39Å | ||
| 382 | N | 44.8 | Very low | 51.5 | Low | 99 Ų | 99 | 63.8 Ų | 63.8 | 53% | 0.529 | 33% | 0.329 | S | S | . | . | trans | -79.8 | 38.7 | -169.9 | -154.3 | -5.9 | 0 | 0 | 0 | 115.4 | E1904 | N382-E1904 PolarHBondContact ND2-OE2 3.23Š| ||
| 383 | K | 46.7 | Very low | 53.6 | Low | 126 Ų | 126 | 60.9 Ų | 60.9 | 55% | 0.548 | 30% | 0.303 | S | S | . | . | trans | -99.2 | 103.8 | -177.9 | -169.1 | 172.1 | -175.1 | 175.1 | 0 | 111.8 | K377 K381 V385 E2322 | K377-K383 WeakPolarHBondContact CD-O 3.42Å; K377-K383 WeakPolarHBondContact CE-O 3.25Å; K377-K383 WeakPolarHBondContact CG-O 3.35Å; K381-K383 VanDerWaalsContact C-N 3.26Å; K381-K383 PolarHBondContact O-N 2.86Å; K383-V385 PolarHBondContact O-N 3.33Å; K383-E2322 IonicContact NZ-OE1 2.67Å; K383-E2322 PolarHBondContact NZ-OE1 3.05Å | ||
| 384 | L | 52.5 | Low | 56 | Low | 76 Ų | 76 | 60.9 Ų | 60.9 | 40% | 0.398 | 30% | 0.297 | S | S | . | . | trans | -57.6 | 121.8 | 176 | -72.6 | 162.7 | 0 | 0 | 0 | 111.7 | K357 V359 | K357-L384 HydrophobicContact CB-CD2 4.25Å; V359-L384 HydrophobicContact CG2-CD2 4.45Å | ||
| 385 | V | 58.2 | Low | 58.7 | Low | 30 Ų | 30 | 55.9 Ų | 55.9 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.5 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 109.6 | V358 K377 K383 | V358-V385 PolarHBondContact N-O 2.98Å; K377-V385 HydrophobicContact CB-CB 4.1Å; K377-V385 HydrophobicContact CB-CG2 3.75Å; K383-V385 PolarHBondContact O-N 3.33Å |
| 386 | P | 65.7 | Low | 61.5 | Low | 38 Ų | 38 | 48.7 Ų | 48.7 | 25% | 0.247 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 139.1 | 172.5 | 28.1 | -35.1 | 0 | 0 | 0 | 111.4 | L355 E401 | L355-P386 HydrophobicContact CD1-CB 4.24Å; P386-E401 WeakPolarHBondContact CG-OE2 3.5Å |
| 387 | R | 71 | Confident | 64.2 | Low | 22 Ų | 22 | 44.1 Ų | 44.1 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 159.2 | 174.5 | -60.1 | -64.9 | -172.5 | -172.2 | 9.8 | 109.2 | V356 V358 D400 | V356-R387 HydrophobicContact CG2-CB 4.49Å; V356-R387 PolarHBondContact N-O 3.27Å; V356-R387 PolarHBondContact O-N 2.62Å; V356-R387 VanDerWaalsContact O-O 3.05Å; V358-R387 HydrophobicContact CB-CG 4.01Å; V358-R387 HydrophobicContact CG2-CB 3.57Å; V358-R387 HydrophobicContact CG2-CG 3.44Å; V358-R387 VanDerWaalsContact CG2-CG 3.44Å; R387-D400 IonicContact CZ-OD2 2.72Å; R387-D400 IonicContact NH1-OD2 2.78Å; R387-D400 PolarHBondContact NH1-OD2 2.98Å |
| 388 | L | 80.1 | Confident | 66.5 | Low | 21 Ų | 21 | 44.5 Ų | 44.5 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.7 | 169.4 | -67 | 170.3 | 0 | 0 | 0 | 108.9 | P250 F353 F354 L355 V399 K404 | P250-L388 HydrophobicContact CB-CD1 4.33Å; P250-L388 HydrophobicContact CG-CD1 4.08Å; F353-L388 HydrophobicContact CD1-CB 4.13Å; F354-L388 CarbonylContact O-C 3.2Å; F354-L388 WeakPolarHBondContact O-CA 3.34Å; L355-L388 HydrophobicContact CB-CD2 4.4Å; L355-L388 HydrophobicContact CD1-CD2 4.09Å; L388-V399 HydrophobicContact CB-CB 3.99Å; L388-V399 HydrophobicContact CB-CG1 4.41Å; L388-V399 PolarHBondContact N-O 3.24Å; L388-V399 PolarHBondContact O-N 3.01Å; L388-K404 HydrophobicContact CD1-CD 4.09Å |
| 389 | L | 83.8 | Confident | 68.4 | Low | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 104.8 | 173.9 | -169.2 | 71.4 | 0 | 0 | 0 | 108.7 | F353 F354 V356 V396 M397 Y437 I447 | F353-L389 WeakPolarHBondContact CA-O 3.25Å; F354-L389 HydrophobicContact CB-CB 4.49Å; F354-L389 PolarHBondContact N-O 3.36Å; F354-L389 PolarHBondContact O-N 2.88Å; V356-L389 HydrophobicContact CG1-CB 4.04Å; V356-L389 HydrophobicContact CG1-CD2 4.44Å; V356-L389 HydrophobicContact CG2-CB 3.79Å; L389-V396 HydrophobicContact CD1-CG1 3.53Å; L389-V396 HydrophobicContact CD2-CG1 4.41Å; L389-V396 HydrophobicContact CG-CG1 3.91Å; L389-M397 CarbonylContact C-O 3.58Å; L389-M397 WeakPolarHBondContact CA-O 3.42Å; L389-Y437 HydrophobicContact CD1-CE1 3.82Å; L389-I447 HydrophobicContact CD2-CD1 4.37Å; L389-I447 HydrophobicContact CD2-CG2 4.48Å |
| 390 | G | 83.5 | Confident | 70 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V351 T352 F353 V396 M397 | V351-G390 VanDerWaalsContact CG1-CA 3.41Å; T352-G390 CarbonylContact O-C 3.5Å; T352-G390 WeakPolarHBondContact O-CA 3.28Å; F353-G390 VanDerWaalsContact CD1-CA 3.44Å; G390-V396 CarbonylContact O-C 3.18Å; G390-V396 WeakPolarHBondContact O-CA 3.44Å; G390-M397 PolarHBondContact N-O 3.39Å; G390-M397 PolarHBondContact O-N 2.94Å |
| 391 | V | 83.7 | Confident | 71.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.2 | 171.8 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | T352 F354 V396 I447 I451 Y454 | T352-V391 PolarHBondContact N-O 2.96Å; T352-V391 PolarHBondContact O-N 3.42Å; F354-V391 HydrophobicContact CD2-CG2 4.34Å; F354-V391 HydrophobicContact CE2-CG2 4.26Å; V391-V396 HydrophobicContact CG1-CG2 4.43Å; V391-I447 HydrophobicContact CG2-CG2 4.36Å; V391-I451 HydrophobicContact CG1-CG1 4.03Å; V391-Y454 HydrophobicContact CG1-CD2 4.04Å; V391-Y454 HydrophobicContact CG1-CE2 3.91Å |
| 392 | N | 77.4 | Confident | 72.2 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 19% | 0.187 | 22% | 0.222 | C | C | . | . | trans | -125.3 | 168.5 | 176.1 | -165.5 | -7.4 | 0 | 0 | 0 | 109.2 | V351 D394 C395 L412 | V351-N392 HydrophobicContact CG1-CB 4.48Å; V351-N392 HydrophobicContact CG2-CB 4.19Å; N392-D394 PolarHBondContact O-N 3.29Å; N392-D394 VanDerWaalsContact O-N 3.13Å; N392-C395 PolarHBondContact N-O 2.87Å; N392-C395 PolarHBondContact O-N 3.24Å; N392-L412 VanDerWaalsContact O-CD1 3.29Å; N392-L412 WeakPolarHBondContact O-CD1 3.49Å | ||
| 393 | K | 71.3 | Confident | 73.5 | Confident | 99 Ų | 99 | 44.1 Ų | 44.1 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -59.1 | -23.1 | -178.9 | 77.5 | -167.8 | -177.9 | -170.9 | 0 | 114.5 | L412 Y454 I458 | K393-L412 WeakPolarHBondContact O-CD1 3.41Å; K393-Y454 HydrophobicContact CB-CD1 4.14Å; K393-Y454 HydrophobicContact CB-CE1 4.36Å; K393-I458 WeakPolarHBondContact O-CD1 3.17Å |
| 394 | D | 74.7 | Confident | 74.7 | Confident | 97 Ų | 97 | 39.4 Ų | 39.4 | 52% | 0.519 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -112.3 | -20.9 | -175.8 | -53.5 | -54.4 | 0 | 0 | 0 | 113.1 | N392 L412 | N392-D394 PolarHBondContact O-N 3.29Å; N392-D394 VanDerWaalsContact O-N 3.13Å; D394-L412 PolarHBondContact O-N 3.43Å |
| 395 | C | 83.1 | Confident | 75.9 | Confident | 15 Ų | 15 | 41 Ų | 41 | 10% | 0.101 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 161.1 | -171.6 | 61.5 | 0 | 0 | 0 | 0 | 114.7 | N392 M397 V409 Y410 | N392-C395 PolarHBondContact N-O 2.87Å; N392-C395 PolarHBondContact O-N 3.24Å; C395-M397 VanDerWaalsContact SG-CE 3.58Å; C395-V409 HydrophobicContact CB-CG1 3.59Å; C395-Y410 CarbonylContact C-O 3.43Å; C395-Y410 WeakPolarHBondContact CA-O 3.5Å; C395-Y410 VanDerWaalsContact CB-O 3.27Å; C395-Y410 WeakPolarHBondContact CB-O 3.38Å |
| 396 | V | 84.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.5 | 166.7 | -178.5 | 0 | 0 | 0 | 0 | 109 | L389 G390 V391 Y410 L412 L427 I451 | L389-V396 HydrophobicContact CD1-CG1 3.53Å; L389-V396 HydrophobicContact CD2-CG1 4.41Å; L389-V396 HydrophobicContact CG-CG1 3.91Å; G390-V396 CarbonylContact O-C 3.18Å; G390-V396 WeakPolarHBondContact O-CA 3.44Å; V391-V396 HydrophobicContact CG1-CG2 4.43Å; V396-Y410 PolarHBondContact N-O 2.99Å; V396-Y410 PolarHBondContact O-N 3.28Å; V396-L412 HydrophobicContact CG2-CD2 4.26Å; V396-L427 HydrophobicContact CG1-CD1 4.33Å; V396-I451 HydrophobicContact CG2-CD1 4.27Å |
| 397 | M | 83.6 | Confident | 77.2 | Confident | 22 Ų | 22 | 43 Ų | 43 | 11% | 0.108 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.9 | -177.4 | -57.9 | -169.1 | -177 | 0 | 0 | 111.3 | V351 L389 G390 C395 V399 V406 K408 V409 | V351-M397 HydrophobicContact CG2-CE 4.47Å; L389-M397 CarbonylContact C-O 3.58Å; L389-M397 WeakPolarHBondContact CA-O 3.42Å; G390-M397 PolarHBondContact N-O 3.39Å; G390-M397 PolarHBondContact O-N 2.94Å; C395-M397 VanDerWaalsContact SG-CE 3.58Å; M397-V399 HydrophobicContact CB-CG2 4.23Å; M397-V406 HydrophobicContact CB-CG1 4.22Å; M397-V406 HydrophobicContact CG-CG1 4.49Å; M397-V406 HydrophobicContact SD-CG1 4.24Å; M397-V406 HydrophobicContact SD-CG2 4.38Å; M397-K408 CarbonylContact C-O 3.44Å; M397-K408 WeakPolarHBondContact CA-O 3.37Å; M397-V409 HydrophobicContact CG-CG1 4.29Å; M397-V409 HydrophobicContact CG-CG2 4.13Å |
| 398 | R | 81.4 | Confident | 77.6 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.7 | 167 | -171.8 | 179.7 | 86.4 | 172.5 | 9.1 | 108.4 | E376 L407 K408 | E376-R398 IonicContact OE1-NH2 3.23Å; R398-L407 HydrophobicContact CG-CD1 4.38Å; R398-L407 WeakPolarHBondContact O-CA 3.5Å; R398-L407 WeakPolarHBondContact O-CB 3.46Å; R398-L407 PolarHBondContact O-N 3.3Å; R398-K408 HydrophobicContact CB-CB 4.41Å; R398-K408 PolarHBondContact N-O 2.81Å; R398-K408 PolarHBondContact O-N 3.35Å |
| 399 | V | 80.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141 | -175.8 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | F353 L388 M397 K404 E405 V406 | F353-V399 HydrophobicContact CE1-CB 4.41Å; F353-V399 HydrophobicContact CE1-CG2 3.78Å; L388-V399 HydrophobicContact CB-CB 3.99Å; L388-V399 HydrophobicContact CB-CG1 4.41Å; L388-V399 PolarHBondContact N-O 3.24Å; L388-V399 PolarHBondContact O-N 3.01Å; M397-V399 HydrophobicContact CB-CG2 4.23Å; V399-K404 WeakPolarHBondContact CG1-O 3.46Å; V399-E405 WeakPolarHBondContact CA-O 3.16Å; V399-E405 WeakPolarHBondContact CG1-O 3.21Å; V399-V406 HydrophobicContact CG2-CB 4.41Å; V399-V406 HydrophobicContact CG2-CG1 4.43Å; V399-V406 HydrophobicContact CG2-CG2 4.01Å |
| 400 | D | 75.1 | Confident | 77.6 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 6% | 0.064 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 137.9 | 176.3 | -168.6 | -75.8 | 0 | 0 | 0 | 110.9 | R387 R402 T403 K404 E405 L407 | R387-D400 IonicContact CZ-OD2 2.72Å; R387-D400 IonicContact NH1-OD2 2.78Å; R387-D400 PolarHBondContact NH1-OD2 2.98Å; D400-R402 WeakPolarHBondContact OD1-CA 3.25Å; D400-R402 PolarHBondContact OD1-N 3.43Å; D400-T403 VanDerWaalsContact CB-OG1 3.29Å; D400-T403 WeakPolarHBondContact CB-OG1 3.38Å; D400-T403 PolarHBondContact OD1-N 2.9Å; D400-K404 WeakPolarHBondContact O-CA 3.21Å; D400-K404 PolarHBondContact O-N 3.24Å; D400-K404 VanDerWaalsContact O-N 3.16Å; D400-E405 PolarHBondContact N-O 2.84Å; D400-L407 HydrophobicContact CB-CD1 4.15Å; D400-L407 HydrophobicContact CB-CD2 4.27Å; D400-L407 HydrophobicContact CB-CG 4.19Å |
| 401 | E | 69.4 | Low | 77.5 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -30.8 | -179.3 | -172.5 | -164.8 | -134.9 | 0 | 0 | 112.9 | P386 K404 | P386-E401 WeakPolarHBondContact CG-OE2 3.5Å; E401-K404 VanDerWaalsContact O-CD 3.27Å; E401-K404 WeakPolarHBondContact O-CD 3.46Å; E401-K404 VanDerWaalsContact O-CE 3.26Å; E401-K404 WeakPolarHBondContact O-CE 3.18Å; E401-K404 PolarHBondContact O-NZ 3.05Å |
| 402 | R | 64.8 | Low | 77.2 | Confident | 215 Ų | 215 | 50.1 Ų | 50.1 | 81% | 0.811 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -46.6 | -173 | -53.6 | -175.4 | 86.5 | 173.8 | 8.7 | 111.7 | D400 | D400-R402 WeakPolarHBondContact OD1-CA 3.25Å; D400-R402 PolarHBondContact OD1-N 3.43Å |
| 403 | T | 73.2 | Confident | 77.1 | Confident | 40 Ų | 40 | 54.8 Ų | 54.8 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -20.3 | 178.2 | 72 | 0 | 0 | 0 | 0 | 112.6 | T252 L374 D400 E405 | T252-T403 WeakPolarHBondContact CG2-O 3.38Å; L374-T403 HydrophobicContact CD1-CG2 4.23Å; L374-T403 HydrophobicContact CD2-CG2 4.11Å; D400-T403 VanDerWaalsContact CB-OG1 3.29Å; D400-T403 WeakPolarHBondContact CB-OG1 3.38Å; D400-T403 PolarHBondContact OD1-N 2.9Å; T403-E405 PolarHBondContact O-N 2.74Å; T403-E405 WeakPolarHBondContact OG1-CB 3.46Å; T403-E405 PolarHBondContact OG1-N 3Å |
| 404 | K | 72.3 | Confident | 77.5 | Confident | 28 Ų | 28 | 53.5 Ų | 53.5 | 12% | 0.122 | 26% | 0.26 | C | S | . | . | trans | 59.2 | 14.8 | -169.4 | -48.4 | -54.9 | -168.9 | -167.9 | 0 | 114.1 | P250 V251 D290 L388 V399 D400 E401 | P250-K404 HydrophobicContact CB-CB 4.3Å; P250-K404 HydrophobicContact CB-CD 4.11Å; P250-K404 HydrophobicContact CB-CG 4.28Å; V251-K404 WeakPolarHBondContact O-CG 3.28Å; D290-K404 IonicContact OD2-NZ 3.57Å; L388-K404 HydrophobicContact CD1-CD 4.09Å; V399-K404 WeakPolarHBondContact CG1-O 3.46Å; D400-K404 WeakPolarHBondContact O-CA 3.21Å; D400-K404 PolarHBondContact O-N 3.24Å; D400-K404 VanDerWaalsContact O-N 3.16Å; E401-K404 VanDerWaalsContact O-CD 3.27Å; E401-K404 WeakPolarHBondContact O-CD 3.46Å; E401-K404 VanDerWaalsContact O-CE 3.26Å; E401-K404 WeakPolarHBondContact O-CE 3.18Å; E401-K404 PolarHBondContact O-NZ 3.05Å | ||
| 405 | E | 76.4 | Confident | 77.5 | Confident | 110 Ų | 110 | 49.6 Ų | 49.6 | 51% | 0.514 | 24% | 0.24 | S | C | . | . | trans | -79 | 145.7 | 176.5 | -67.1 | -176.5 | 135.7 | 0 | 0 | 112.5 | V399 D400 T403 L407 | V399-E405 WeakPolarHBondContact CA-O 3.16Å; V399-E405 WeakPolarHBondContact CG1-O 3.21Å; D400-E405 PolarHBondContact N-O 2.84Å; T403-E405 PolarHBondContact O-N 2.74Å; T403-E405 WeakPolarHBondContact OG1-CB 3.46Å; T403-E405 PolarHBondContact OG1-N 3Å; E405-L407 PolarHBondContact O-N 3.45Å | ||
| 406 | V | 76.3 | Confident | 77.2 | Confident | 41 Ų | 41 | 56 Ų | 56 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 108.8 | 176 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | K347 M397 V399 V409 | K347-V406 HydrophobicContact CB-CG2 4.24Å; K347-V406 HydrophobicContact CD-CG2 4.27Å; M397-V406 HydrophobicContact CB-CG1 4.22Å; M397-V406 HydrophobicContact CG-CG1 4.49Å; M397-V406 HydrophobicContact SD-CG1 4.24Å; M397-V406 HydrophobicContact SD-CG2 4.38Å; V399-V406 HydrophobicContact CG2-CB 4.41Å; V399-V406 HydrophobicContact CG2-CG1 4.43Å; V399-V406 HydrophobicContact CG2-CG2 4.01Å; V406-V409 HydrophobicContact CG1-CG2 3.66Å |
| 407 | L | 75.2 | Confident | 76.8 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -38.5 | -177.6 | -61.7 | 172.8 | 0 | 0 | 0 | 113.1 | R398 D400 E405 | R398-L407 HydrophobicContact CG-CD1 4.38Å; R398-L407 WeakPolarHBondContact O-CA 3.5Å; R398-L407 WeakPolarHBondContact O-CB 3.46Å; R398-L407 PolarHBondContact O-N 3.3Å; D400-L407 HydrophobicContact CB-CD1 4.15Å; D400-L407 HydrophobicContact CB-CD2 4.27Å; D400-L407 HydrophobicContact CB-CG 4.19Å; E405-L407 PolarHBondContact O-N 3.45Å |
| 408 | K | 79.2 | Confident | 76.7 | Confident | 57 Ų | 57 | 66.7 Ų | 66.7 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 147.5 | -179.5 | -166.9 | 164.1 | 171.4 | -167.5 | 0 | 110.7 | M397 R398 Y410 | M397-K408 CarbonylContact C-O 3.44Å; M397-K408 WeakPolarHBondContact CA-O 3.37Å; R398-K408 HydrophobicContact CB-CB 4.41Å; R398-K408 PolarHBondContact N-O 2.81Å; R398-K408 PolarHBondContact O-N 3.35Å; K408-Y410 HydrophobicContact CD-CE1 3.86Å; K408-Y410 HydrophobicContact CD-CE2 4.47Å; K408-Y410 HydrophobicContact CG-CE1 4.21Å; K408-Y410 HydrophobicContact CG-CE2 4.34Å |
| 409 | V | 82.3 | Confident | 76.4 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 44% | 0.436 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130 | 177 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | C395 M397 V406 | C395-V409 HydrophobicContact CB-CG1 3.59Å; M397-V409 HydrophobicContact CG-CG1 4.29Å; M397-V409 HydrophobicContact CG-CG2 4.13Å; V406-V409 HydrophobicContact CG1-CG2 3.66Å |
| 410 | Y | 81.3 | Confident | 76 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 109.3 | 179.9 | -59.4 | -77.9 | 0 | 0 | 0 | 109.2 | C395 V396 K408 L412 F429 | C395-Y410 CarbonylContact C-O 3.43Å; C395-Y410 WeakPolarHBondContact CA-O 3.5Å; C395-Y410 VanDerWaalsContact CB-O 3.27Å; C395-Y410 WeakPolarHBondContact CB-O 3.38Å; V396-Y410 PolarHBondContact N-O 2.99Å; V396-Y410 PolarHBondContact O-N 3.28Å; K408-Y410 HydrophobicContact CD-CE1 3.86Å; K408-Y410 HydrophobicContact CD-CE2 4.47Å; K408-Y410 HydrophobicContact CG-CE1 4.21Å; K408-Y410 HydrophobicContact CG-CE2 4.34Å; Y410-L412 PolarHBondContact O-N 3.16Å; Y410-F429 AromaticContact CD1-CE1 3.73Å; Y410-F429 HydrophobicContact CD1-CE1 3.73Å; Y410-F429 HydrophobicContact CD1-CE2 4.3Å; Y410-F429 AromaticContact CD1-CZ 3.52Å; Y410-F429 HydrophobicContact CD1-CZ 3.52Å; Y410-F429 HydrophobicContact CD2-CZ 4.46Å; Y410-F429 HydrophobicContact CE1-CE1 4.37Å; Y410-F429 HydrophobicContact CE1-CE2 4.14Å; Y410-F429 AromaticContact CE1-CZ 3.75Å; Y410-F429 HydrophobicContact CE1-CZ 3.75Å; Y410-F429 HydrophobicContact CG-CE1 4.04Å; Y410-F429 AromaticContact CG-CZ 3.9Å; Y410-F429 HydrophobicContact CG-CZ 3.9Å |
| 411 | P | 81.5 | Confident | 75.5 | Confident | 53 Ų | 53 | 70 Ų | 70 | 34% | 0.344 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 136.5 | 173.9 | -23.6 | 33.7 | 0 | 0 | 0 | 111.6 | E413 Q414 | P411-E413 PolarHBondContact O-N 3.24Å; P411-Q414 HydrophobicContact CB-CG 4.36Å; P411-Q414 PolarHBondContact O-N 2.91Å |
| 412 | L | 78.5 | Confident | 75.4 | Confident | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -62 | -25.2 | 179.7 | -88.6 | 166.2 | 0 | 0 | 0 | 112.8 | N392 K393 D394 V396 Y410 Q414 V415 I451 I455 | N392-L412 VanDerWaalsContact O-CD1 3.29Å; N392-L412 WeakPolarHBondContact O-CD1 3.49Å; K393-L412 WeakPolarHBondContact O-CD1 3.41Å; D394-L412 PolarHBondContact O-N 3.43Å; V396-L412 HydrophobicContact CG2-CD2 4.26Å; Y410-L412 PolarHBondContact O-N 3.16Å; L412-Q414 PolarHBondContact O-N 2.9Å; L412-V415 PolarHBondContact O-N 3.03Å; L412-I451 HydrophobicContact CD2-CG1 4.42Å; L412-I451 HydrophobicContact CD2-CG2 3.96Å; L412-I455 HydrophobicContact CD2-CD1 4.47Å |
| 413 | E | 74.9 | Confident | 75.4 | Confident | 133 Ų | 133 | 65.4 Ų | 65.4 | 62% | 0.621 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -70.1 | -15.8 | 176.2 | -56.9 | -160.1 | 134.8 | 0 | 0 | 114.1 | P411 K462 | P411-E413 PolarHBondContact O-N 3.24Å; E413-K462 IonicContact OE1-NZ 3.83Å; E413-K462 PolarHBondContact OE1-NZ 3.46Å |
| 414 | Q | 79 | Confident | 74.9 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 34% | 0.341 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -91 | -10.9 | 175.5 | -66.7 | 179.1 | -9.1 | 0 | 0 | 113 | P411 L412 R416 F429 Y432 | P411-Q414 HydrophobicContact CB-CG 4.36Å; P411-Q414 PolarHBondContact O-N 2.91Å; L412-Q414 PolarHBondContact O-N 2.9Å; Q414-R416 PolarHBondContact O-N 2.96Å; Q414-F429 WeakPolarHBondContact O-CA 3.2Å; Q414-Y432 HydrophobicContact CB-CD2 4.08Å; Q414-Y432 HydrophobicContact CB-CG 4.14Å; Q414-Y432 HydrophobicContact CG-CD1 4.14Å; Q414-Y432 HydrophobicContact CG-CD2 4.31Å; Q414-Y432 HydrophobicContact CG-CE1 4.46Å; Q414-Y432 HydrophobicContact CG-CG 4.08Å |
| 415 | V | 75.8 | Confident | 75 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 9% | 0.085 | 33% | 0.328 | C | S | . | . | trans | -80.6 | 108.6 | 178.1 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | L412 W418 L427 F429 | L412-V415 PolarHBondContact O-N 3.03Å; V415-W418 HydrophobicContact CG1-CE3 3.9Å; V415-W418 HydrophobicContact CG1-CZ3 4.48Å; V415-L427 HydrophobicContact CG1-CD2 4.12Å; V415-F429 HydrophobicContact CG2-CD1 4.25Å; V415-F429 HydrophobicContact CG2-CE1 3.92Å | ||
| 416 | R | 76.1 | Confident | 74.8 | Confident | 149 Ų | 149 | 60.5 Ų | 60.5 | 56% | 0.562 | 31% | 0.311 | S | S | * | . | trans | -80.9 | -40.5 | -177.7 | -157.9 | -178.8 | -160.2 | 159.5 | 16 | 111.6 | Q414 D428 D431 | Q414-R416 PolarHBondContact O-N 2.96Å; R416-D428 PolarHBondContact N-O 3.08Å; R416-D431 IonicContact CZ-OD2 3.22Å; R416-D431 IonicContact NH1-OD1 2.82Å; R416-D431 IonicContact NH1-OD2 2.72Å; R416-D431 PolarHBondContact NH1-OD2 3.49Å; R416-D431 IonicContact NH2-OD2 2.87Å; R416-D431 PolarHBondContact NH2-OD2 2.91Å | ||
| 417 | R | 77.2 | Confident | 74.9 | Confident | 160 Ų | 160 | 58.5 Ų | 58.5 | 60% | 0.604 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 166 | 179.3 | -56.7 | -179.6 | 164.3 | -171.9 | -6.3 | 111 | D428 | R417-D428 HydrophobicContact CB-CB 4.01Å; R417-D428 PolarHBondContact N-O 2.87Å; R417-D428 PolarHBondContact O-N 3.44Å |
| 418 | W | 81.5 | Confident | 74.9 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 33% | 0.333 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 153.7 | 168 | 56.8 | 91.9 | 0 | 0 | 0 | 110.6 | V415 F425 T426 L427 I451 A452 I455 | V415-W418 HydrophobicContact CG1-CE3 3.9Å; V415-W418 HydrophobicContact CG1-CZ3 4.48Å; W418-F425 HydrophobicContact CB-CE2 4.4Å; W418-F425 HydrophobicContact CB-CZ 4.03Å; W418-F425 HydrophobicContact CG-CZ 4.35Å; W418-T426 CarbonylContact C-O 3.58Å; W418-T426 VanDerWaalsContact CA-O 3.22Å; W418-T426 WeakPolarHBondContact CA-O 3.41Å; W418-L427 HydrophobicContact CB-CD2 3.76Å; W418-I451 HydrophobicContact CD2-CG2 3.98Å; W418-I451 HydrophobicContact CE3-CG2 3.84Å; W418-I451 HydrophobicContact CH2-CG2 3.92Å; W418-I451 HydrophobicContact CZ2-CG2 4.02Å; W418-I451 HydrophobicContact CZ3-CG2 3.81Å; W418-A452 HydrophobicContact CZ2-CB 4.09Å; W418-I455 HydrophobicContact CH2-CD1 3.49Å; W418-I455 VanDerWaalsContact CH2-CD1 3.49Å; W418-I455 HydrophobicContact CZ3-CD1 3.52Å |
| 419 | A | 74.4 | Confident | 74.6 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 22% | 0.223 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F425 T426 | A419-F425 WeakPolarHBondContact O-CA 3.49Å; A419-F425 WeakPolarHBondContact O-CD2 3.38Å; A419-T426 PolarHBondContact N-O 3.39Å; A419-T426 PolarHBondContact O-N 3.47Å |
| 420 | A | 72.1 | Confident | 74 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 37% | 0.372 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | F425 E445 | A420-F425 HydrophobicContact CB-CD2 3.93Å; A420-F425 HydrophobicContact CB-CE2 4.38Å; A420-E445 HydrophobicContact CB-CG 4.36Å |
| 421 | S | 64.7 | Low | 73.4 | Confident | 35 Ų | 35 | 57.4 Ų | 57.4 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 161 | 175.5 | 126.5 | 0 | 0 | 0 | 0 | 107.8 | N423 T424 | S421-N423 PolarHBondContact O-N 2.91Å; S421-T424 VanDerWaalsContact CB-OG1 3.26Å; S421-T424 WeakPolarHBondContact CB-OG1 3.35Å; S421-T424 PolarHBondContact N-O 3.02Å; S421-T424 PolarHBondContact O-N 3.24Å; S421-T424 VanDerWaalsContact O-O 3.06Å; S421-T424 PolarHBondContact OG-OG1 3.25Å |
| 422 | P | 66.5 | Low | 72.5 | Confident | 92 Ų | 92 | 62.5 Ų | 62.5 | 60% | 0.597 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -22.1 | -175.9 | -29.1 | 36.2 | 0 | 0 | 0 | 116 | ||
| 423 | N | 64.6 | Low | 71.8 | Confident | 78 Ų | 78 | 63 Ų | 63 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | -0.1 | 178.5 | -72.1 | -60.4 | 0 | 0 | 0 | 114.4 | S421 Q440 T441 | S421-N423 PolarHBondContact O-N 2.91Å; N423-Q440 VanDerWaalsContact O-CA 3.27Å; N423-Q440 WeakPolarHBondContact O-CA 3.15Å; N423-T441 CarbonylContact C-O 3.49Å; N423-T441 WeakPolarHBondContact CA-O 3.2Å; N423-T441 PolarHBondContact O-N 2.9Å |
| 424 | T | 63.9 | Low | 70.8 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 29% | 0.288 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 148.6 | -174.6 | 49.8 | 0 | 0 | 0 | 0 | 112.9 | S421 V439 Q440 T441 | S421-T424 VanDerWaalsContact CB-OG1 3.26Å; S421-T424 WeakPolarHBondContact CB-OG1 3.35Å; S421-T424 PolarHBondContact N-O 3.02Å; S421-T424 PolarHBondContact O-N 3.24Å; S421-T424 VanDerWaalsContact O-O 3.06Å; S421-T424 PolarHBondContact OG-OG1 3.25Å; T424-V439 CarbonylContact C-O 3.54Å; T424-V439 WeakPolarHBondContact CA-O 3.37Å; T424-Q440 HydrophobicContact CG2-CG 4.04Å; T424-T441 PolarHBondContact N-O 3.48Å |
| 425 | F | 74.3 | Confident | 69.7 | Low | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 133.9 | 175.6 | -176.4 | -99.6 | 0 | 0 | 0 | 109.9 | W418 A419 A420 L427 S438 V439 T441 G444 I447 I451 | W418-F425 HydrophobicContact CB-CE2 4.4Å; W418-F425 HydrophobicContact CB-CZ 4.03Å; W418-F425 HydrophobicContact CG-CZ 4.35Å; A419-F425 WeakPolarHBondContact O-CA 3.49Å; A419-F425 WeakPolarHBondContact O-CD2 3.38Å; A420-F425 HydrophobicContact CB-CD2 3.93Å; A420-F425 HydrophobicContact CB-CE2 4.38Å; F425-L427 HydrophobicContact CE1-CD2 3.54Å; F425-L427 HydrophobicContact CE1-CG 3.93Å; F425-L427 HydrophobicContact CZ-CD2 3.85Å; F425-S438 WeakPolarHBondContact O-CA 3.42Å; F425-V439 HydrophobicContact CB-CG2 4.01Å; F425-V439 HydrophobicContact CD1-CG2 4.43Å; F425-V439 PolarHBondContact N-O 3.32Å; F425-V439 PolarHBondContact O-N 3.4Å; F425-T441 HydrophobicContact CB-CG2 3.62Å; F425-G444 WeakPolarHBondContact CD2-O 3.21Å; F425-G444 WeakPolarHBondContact CE2-O 3.24Å; F425-I447 HydrophobicContact CD1-CG2 4.08Å; F425-I447 HydrophobicContact CD2-CB 4.48Å; F425-I447 HydrophobicContact CE1-CB 4.31Å; F425-I447 HydrophobicContact CE1-CG2 3.55Å; F425-I447 HydrophobicContact CE2-CB 4.25Å; F425-I447 HydrophobicContact CE2-CG2 4.24Å; F425-I447 HydrophobicContact CZ-CB 4.18Å; F425-I447 HydrophobicContact CZ-CG2 3.65Å; F425-I451 HydrophobicContact CE1-CD1 4.37Å; F425-I451 HydrophobicContact CZ-CD1 4.07Å |
| 426 | T | 72.5 | Confident | 69.1 | Low | 25 Ų | 25 | 60.1 Ų | 60.1 | 15% | 0.153 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 133.3 | -174 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | W418 A419 Y436 Y437 S438 | W418-T426 CarbonylContact C-O 3.58Å; W418-T426 VanDerWaalsContact CA-O 3.22Å; W418-T426 WeakPolarHBondContact CA-O 3.41Å; A419-T426 PolarHBondContact N-O 3.39Å; A419-T426 PolarHBondContact O-N 3.47Å; T426-Y436 HydrophobicContact CG2-CG 4.41Å; T426-Y437 WeakPolarHBondContact CA-O 3.32Å; T426-S438 WeakPolarHBondContact OG1-CB 3.42Å |
| 427 | L | 77.9 | Confident | 68.8 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.6 | 171.2 | -61.5 | 177.8 | 0 | 0 | 0 | 110.7 | V396 V415 W418 F425 F429 Y436 Y437 I451 | V396-L427 HydrophobicContact CG1-CD1 4.33Å; V415-L427 HydrophobicContact CG1-CD2 4.12Å; W418-L427 HydrophobicContact CB-CD2 3.76Å; F425-L427 HydrophobicContact CE1-CD2 3.54Å; F425-L427 HydrophobicContact CE1-CG 3.93Å; F425-L427 HydrophobicContact CZ-CD2 3.85Å; L427-F429 HydrophobicContact CB-CE2 4.34Å; L427-F429 HydrophobicContact CB-CZ 4.09Å; L427-F429 HydrophobicContact CD1-CZ 4.34Å; L427-Y436 WeakPolarHBondContact O-CA 3.34Å; L427-Y437 HydrophobicContact CD1-CD1 4.29Å; L427-Y437 PolarHBondContact N-O 3.47Å; L427-Y437 PolarHBondContact O-N 2.72Å; L427-I451 HydrophobicContact CD2-CD1 3.98Å |
| 428 | D | 75.1 | Confident | 68.3 | Low | 16 Ų | 16 | 47.3 Ų | 47.3 | 9% | 0.086 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.6 | 174.1 | 163.1 | 33.4 | 0 | 0 | 0 | 109.6 | R416 R417 G430 Y436 | R416-D428 PolarHBondContact N-O 3.08Å; R417-D428 HydrophobicContact CB-CB 4.01Å; R417-D428 PolarHBondContact N-O 2.87Å; R417-D428 PolarHBondContact O-N 3.44Å; D428-G430 WeakPolarHBondContact OD1-CA 3.43Å; D428-G430 PolarHBondContact OD1-N 2.92Å; D428-Y436 HydrophobicContact CB-CD1 3.96Å; D428-Y436 HydrophobicContact CB-CE1 3.97Å; D428-Y436 VanDerWaalsContact OD1-CE1 3.25Å; D428-Y436 WeakPolarHBondContact OD1-CE1 3.28Å |
| 429 | F | 73.6 | Confident | 67.8 | Low | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | trans | -101.7 | -2.4 | 178.6 | -55.3 | -76.6 | 0 | 0 | 0 | 112.9 | Y410 Q414 V415 L427 D431 Y432 Q433 | Y410-F429 AromaticContact CD1-CE1 3.73Å; Y410-F429 HydrophobicContact CD1-CE1 3.73Å; Y410-F429 HydrophobicContact CD1-CE2 4.3Å; Y410-F429 AromaticContact CD1-CZ 3.52Å; Y410-F429 HydrophobicContact CD1-CZ 3.52Å; Y410-F429 HydrophobicContact CD2-CZ 4.46Å; Y410-F429 HydrophobicContact CE1-CE1 4.37Å; Y410-F429 HydrophobicContact CE1-CE2 4.14Å; Y410-F429 AromaticContact CE1-CZ 3.75Å; Y410-F429 HydrophobicContact CE1-CZ 3.75Å; Y410-F429 HydrophobicContact CG-CE1 4.04Å; Y410-F429 AromaticContact CG-CZ 3.9Å; Y410-F429 HydrophobicContact CG-CZ 3.9Å; Q414-F429 WeakPolarHBondContact O-CA 3.2Å; V415-F429 HydrophobicContact CG2-CD1 4.25Å; V415-F429 HydrophobicContact CG2-CE1 3.92Å; L427-F429 HydrophobicContact CB-CE2 4.34Å; L427-F429 HydrophobicContact CB-CZ 4.09Å; L427-F429 HydrophobicContact CD1-CZ 4.34Å; F429-D431 PolarHBondContact O-N 3.36Å; F429-Y432 WeakPolarHBondContact O-CB 3.3Å; F429-Y432 WeakPolarHBondContact O-CD2 3.42Å; F429-Y432 PolarHBondContact O-N 3.03Å; F429-Q433 HydrophobicContact CB-CB 4.06Å; F429-Q433 HydrophobicContact CD2-CB 4.2Å; F429-Q433 HydrophobicContact CG-CB 4.33Å | ||
| 430 | G | 69.1 | Low | 67.4 | Low | 18 Ų | 18 | 45.8 Ų | 45.8 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | 50.5 | -125.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D428 Y432 | D428-G430 WeakPolarHBondContact OD1-CA 3.43Å; D428-G430 PolarHBondContact OD1-N 2.92Å; G430-Y432 PolarHBondContact O-N 3.17Å |
| 431 | D | 67.8 | Low | 67.5 | Low | 141 Ų | 141 | 44.3 Ų | 44.3 | 75% | 0.754 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -78.5 | -2.8 | -172.9 | -41.3 | -55.8 | 0 | 0 | 0 | 113 | R416 F429 | R416-D431 IonicContact CZ-OD2 3.22Å; R416-D431 IonicContact NH1-OD1 2.82Å; R416-D431 IonicContact NH1-OD2 2.72Å; R416-D431 PolarHBondContact NH1-OD2 3.49Å; R416-D431 IonicContact NH2-OD2 2.87Å; R416-D431 PolarHBondContact NH2-OD2 2.91Å; F429-D431 PolarHBondContact O-N 3.36Å |
| 432 | Y | 64.1 | Low | 68 | Low | 160 Ų | 160 | 46 Ų | 46 | 63% | 0.627 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -80.1 | -23.9 | 177 | -67.4 | -69.6 | 0 | 0 | 0 | 113.7 | Q414 F429 G430 | Q414-Y432 HydrophobicContact CB-CD2 4.08Å; Q414-Y432 HydrophobicContact CB-CG 4.14Å; Q414-Y432 HydrophobicContact CG-CD1 4.14Å; Q414-Y432 HydrophobicContact CG-CD2 4.31Å; Q414-Y432 HydrophobicContact CG-CE1 4.46Å; Q414-Y432 HydrophobicContact CG-CG 4.08Å; F429-Y432 WeakPolarHBondContact O-CB 3.3Å; F429-Y432 WeakPolarHBondContact O-CD2 3.42Å; F429-Y432 PolarHBondContact O-N 3.03Å; G430-Y432 PolarHBondContact O-N 3.17Å |
| 433 | Q | 62.9 | Low | 68.5 | Low | 17 Ų | 17 | 44 Ų | 44 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -155.6 | 124.8 | 176.4 | 173 | 173.2 | -51.3 | 0 | 0 | 109.3 | L363 F429 A435 | L363-Q433 HydrophobicContact CD1-CG 4.01Å; L363-Q433 HydrophobicContact CG-CG 4.32Å; F429-Q433 HydrophobicContact CB-CB 4.06Å; F429-Q433 HydrophobicContact CD2-CB 4.2Å; F429-Q433 HydrophobicContact CG-CB 4.33Å; Q433-A435 PolarHBondContact NE2-O 3.33Å; Q433-A435 PolarHBondContact O-N 2.97Å |
| 434 | D | 53.8 | Low | 69 | Low | 103 Ų | 103 | 40.3 Ų | 40.3 | 55% | 0.551 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -57.8 | -7.2 | -173.2 | -72.9 | -67.8 | 0 | 0 | 0 | 117.3 | R1769 | D434-R1769 IonicContact OD1-CZ 2.84Å; D434-R1769 IonicContact OD1-NH2 3.59Å; D434-R1769 PolarHBondContact OD1-NH2 3.01Å |
| 435 | A | 55.8 | Low | 69.6 | Low | 6 Ų | 6 | 44.5 Ų | 44.5 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -141 | 137.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C362 Q433 | C362-A435 HydrophobicContact CB-CB 4.19Å; Q433-A435 PolarHBondContact NE2-O 3.33Å; Q433-A435 PolarHBondContact O-N 2.97Å |
| 436 | Y | 63.9 | Low | 69.8 | Low | 51 Ų | 51 | 48.7 Ų | 48.7 | 20% | 0.2 | 25% | 0.245 | C | C | . | . | trans | -62.9 | 152.2 | 171.1 | -53.5 | -27.8 | 0 | 0 | 0 | 111.8 | S361 T426 L427 D428 D1772 L1776 | S361-Y436 PolarHBondContact OG-O 2.96Å; T426-Y436 HydrophobicContact CG2-CG 4.41Å; L427-Y436 WeakPolarHBondContact O-CA 3.34Å; D428-Y436 HydrophobicContact CB-CD1 3.96Å; D428-Y436 HydrophobicContact CB-CE1 3.97Å; D428-Y436 VanDerWaalsContact OD1-CE1 3.25Å; D428-Y436 WeakPolarHBondContact OD1-CE1 3.28Å; Y436-D1772 HydrophobicContact CD2-CB 4.11Å; Y436-D1772 HydrophobicContact CE2-CB 3.61Å; Y436-L1776 HydrophobicContact CE2-CD1 4.41Å | ||
| 437 | Y | 70 | Confident | 70.3 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 101.8 | 174.6 | -179.4 | -101.9 | 0 | 0 | 0 | 110.2 | V358 L389 T426 L427 V439 | V358-Y437 HydrophobicContact CG1-CE2 3.82Å; V358-Y437 WeakPolarHBondContact CG2-OH 3.39Å; L389-Y437 HydrophobicContact CD1-CE1 3.82Å; T426-Y437 WeakPolarHBondContact CA-O 3.32Å; L427-Y437 HydrophobicContact CD1-CD1 4.29Å; L427-Y437 PolarHBondContact N-O 3.47Å; L427-Y437 PolarHBondContact O-N 2.72Å; Y437-V439 HydrophobicContact CD1-CG1 4.08Å; Y437-V439 HydrophobicContact CE1-CG1 3.46Å; Y437-V439 VanDerWaalsContact CE1-CG1 3.46Å |
| 438 | S | 65.7 | Low | 70.4 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.9 | -177.9 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | V359 F425 T426 | V359-S438 PolarHBondContact N-O 3.05Å; F425-S438 WeakPolarHBondContact O-CA 3.42Å; T426-S438 WeakPolarHBondContact OG1-CB 3.42Å |
| 439 | V | 71.6 | Confident | 70.6 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.3 | 179.6 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | V356 V358 T424 F425 Y437 T441 | V356-V439 HydrophobicContact CB-CB 3.99Å; V356-V439 HydrophobicContact CB-CG1 4.5Å; V356-V439 HydrophobicContact CB-CG2 3.97Å; V356-V439 HydrophobicContact CG1-CG2 4.09Å; V356-V439 HydrophobicContact CG2-CB 4.16Å; V356-V439 HydrophobicContact CG2-CG1 4.11Å; V356-V439 HydrophobicContact CG2-CG2 4.35Å; V358-V439 HydrophobicContact CB-CG1 4.39Å; V358-V439 HydrophobicContact CG1-CG1 4.37Å; V358-V439 HydrophobicContact CG2-CG1 3.85Å; T424-V439 CarbonylContact C-O 3.54Å; T424-V439 WeakPolarHBondContact CA-O 3.37Å; F425-V439 HydrophobicContact CB-CG2 4.01Å; F425-V439 HydrophobicContact CD1-CG2 4.43Å; F425-V439 PolarHBondContact N-O 3.32Å; F425-V439 PolarHBondContact O-N 3.4Å; Y437-V439 HydrophobicContact CD1-CG1 4.08Å; Y437-V439 HydrophobicContact CE1-CG1 3.46Å; Y437-V439 VanDerWaalsContact CE1-CG1 3.46Å; V439-T441 HydrophobicContact CG2-CG2 4.05Å |
| 440 | Q | 66.3 | Low | 71 | Confident | 82 Ų | 82 | 55.9 Ų | 55.9 | 38% | 0.383 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.3 | 167.1 | -78.1 | -178.5 | -5.6 | 0 | 0 | 109.8 | K357 N423 T424 | K357-Q440 HydrophobicContact CB-CB 4.15Å; K357-Q440 PolarHBondContact N-O 3.03Å; K357-Q440 PolarHBondContact O-N 3.42Å; N423-Q440 VanDerWaalsContact O-CA 3.27Å; N423-Q440 WeakPolarHBondContact O-CA 3.15Å; T424-Q440 HydrophobicContact CG2-CG 4.04Å |
| 441 | T | 72.8 | Confident | 71.6 | Confident | 13 Ų | 13 | 55 Ų | 55 | 8% | 0.08 | 27% | 0.271 | C | S | . | . | trans | -162.3 | 139.1 | 178.5 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | N423 T424 F425 V439 E443 I447 | N423-T441 CarbonylContact C-O 3.49Å; N423-T441 WeakPolarHBondContact CA-O 3.2Å; N423-T441 PolarHBondContact O-N 2.9Å; T424-T441 PolarHBondContact N-O 3.48Å; F425-T441 HydrophobicContact CB-CG2 3.62Å; V439-T441 HydrophobicContact CG2-CG2 4.05Å; T441-E443 PolarHBondContact OG1-N 3.46Å; T441-I447 HydrophobicContact CG2-CD1 4.09Å | ||
| 442 | T | 76.8 | Confident | 72 | Confident | 71 Ų | 71 | 50.2 Ų | 50.2 | 44% | 0.436 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -7.5 | 170.6 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | M178 | M178-T442 HydrophobicContact CE-CG2 3.79Å; M178-T442 HydrophobicContact CG-CG2 4.49Å; M178-T442 HydrophobicContact SD-CG2 4.46Å |
| 443 | E | 76.6 | Confident | 72.5 | Confident | 49 Ų | 49 | 44.1 Ų | 44.1 | 23% | 0.229 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 16.2 | -177.5 | -58.1 | -155.2 | 125.2 | 0 | 0 | 113.3 | F354 T441 E445 K446 I447 | F354-E443 HydrophobicContact CD1-CB 4.41Å; F354-E443 WeakPolarHBondContact CD1-OE2 3.32Å; T441-E443 PolarHBondContact OG1-N 3.46Å; E443-E445 PolarHBondContact O-N 2.79Å; E443-E445 VanDerWaalsContact O-N 3.15Å; E443-K446 HydrophobicContact CB-CB 4.42Å; E443-K446 HydrophobicContact CB-CD 4.18Å; E443-K446 HydrophobicContact CB-CG 4.46Å; E443-K446 HydrophobicContact CG-CD 4.26Å; E443-K446 WeakPolarHBondContact O-CA 3.35Å; E443-K446 WeakPolarHBondContact O-CB 3.43Å; E443-K446 PolarHBondContact O-N 3.49Å; E443-K446 WeakPolarHBondContact OE1-CE 3.34Å; E443-K446 IonicContact OE1-NZ 3.94Å; E443-K446 PolarHBondContact OE1-NZ 3.26Å; E443-I447 PolarHBondContact O-N 3.13Å; E443-I447 VanDerWaalsContact O-N 3.11Å |
| 444 | G | 74.3 | Confident | 73.1 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.9 | -37.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | F425 I447 G448 | F425-G444 WeakPolarHBondContact CD2-O 3.21Å; F425-G444 WeakPolarHBondContact CE2-O 3.24Å; G444-I447 PolarHBondContact O-N 3.44Å; G444-G448 PolarHBondContact O-N 3.46Å |
| 445 | E | 77.1 | Confident | 74 | Confident | 135 Ų | 135 | 42.7 Ų | 42.7 | 63% | 0.631 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -64.3 | -39.8 | 174.2 | -63.9 | -167 | 164.5 | 0 | 0 | 112.8 | A420 E443 G448 Q449 | A420-E445 HydrophobicContact CB-CG 4.36Å; E443-E445 PolarHBondContact O-N 2.79Å; E443-E445 VanDerWaalsContact O-N 3.15Å; E445-G448 PolarHBondContact O-N 2.85Å; E445-Q449 WeakPolarHBondContact O-CB 3.32Å; E445-Q449 VanDerWaalsContact O-CG 3.28Å; E445-Q449 WeakPolarHBondContact O-CG 3.49Å; E445-Q449 PolarHBondContact O-N 3.06Å |
| 446 | K | 78.7 | Confident | 74.5 | Confident | 91 Ų | 91 | 46.5 Ų | 46.5 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 177.7 | -57.3 | -177.3 | -172.3 | 172.8 | 0 | 110.8 | E443 Q449 L450 | E443-K446 HydrophobicContact CB-CB 4.42Å; E443-K446 HydrophobicContact CB-CD 4.18Å; E443-K446 HydrophobicContact CB-CG 4.46Å; E443-K446 HydrophobicContact CG-CD 4.26Å; E443-K446 WeakPolarHBondContact O-CA 3.35Å; E443-K446 WeakPolarHBondContact O-CB 3.43Å; E443-K446 PolarHBondContact O-N 3.49Å; E443-K446 WeakPolarHBondContact OE1-CE 3.34Å; E443-K446 IonicContact OE1-NZ 3.94Å; E443-K446 PolarHBondContact OE1-NZ 3.26Å; K446-Q449 PolarHBondContact O-N 3.27Å; K446-L450 PolarHBondContact O-N 2.95Å |
| 447 | I | 82 | Confident | 74.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 176 | -57.6 | 173.6 | 0 | 0 | 0 | 110.2 | F354 V356 L389 V391 F425 T441 E443 G444 Q449 L450 I451 | F354-I447 HydrophobicContact CB-CD1 4.07Å; F354-I447 HydrophobicContact CB-CG1 4.49Å; F354-I447 HydrophobicContact CD1-CD1 4.17Å; F354-I447 HydrophobicContact CD1-CG1 3.81Å; F354-I447 HydrophobicContact CD2-CD1 4.23Å; F354-I447 HydrophobicContact CD2-CG1 3.83Å; F354-I447 HydrophobicContact CE1-CG1 3.94Å; F354-I447 HydrophobicContact CE2-CG1 3.96Å; F354-I447 HydrophobicContact CG-CD1 3.88Å; F354-I447 HydrophobicContact CG-CG1 3.76Å; F354-I447 HydrophobicContact CZ-CG1 4.02Å; V356-I447 HydrophobicContact CG1-CD1 4.34Å; L389-I447 HydrophobicContact CD2-CD1 4.37Å; L389-I447 HydrophobicContact CD2-CG2 4.48Å; V391-I447 HydrophobicContact CG2-CG2 4.36Å; F425-I447 HydrophobicContact CD1-CG2 4.08Å; F425-I447 HydrophobicContact CD2-CB 4.48Å; F425-I447 HydrophobicContact CE1-CB 4.31Å; F425-I447 HydrophobicContact CE1-CG2 3.55Å; F425-I447 HydrophobicContact CE2-CB 4.25Å; F425-I447 HydrophobicContact CE2-CG2 4.24Å; F425-I447 HydrophobicContact CZ-CB 4.18Å; F425-I447 HydrophobicContact CZ-CG2 3.65Å; T441-I447 HydrophobicContact CG2-CD1 4.09Å; E443-I447 PolarHBondContact O-N 3.13Å; E443-I447 VanDerWaalsContact O-N 3.11Å; G444-I447 PolarHBondContact O-N 3.44Å; I447-Q449 PolarHBondContact O-N 2.9Å; I447-L450 PolarHBondContact O-N 3.34Å; I447-I451 HydrophobicContact CG2-CD1 4.09Å; I447-I451 WeakPolarHBondContact O-CG1 3.33Å; I447-I451 PolarHBondContact O-N 3.38Å |
| 448 | G | 81.3 | Confident | 74.6 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G444 E445 A452 | G444-G448 PolarHBondContact O-N 3.46Å; E445-G448 PolarHBondContact O-N 2.85Å; G448-A452 WeakPolarHBondContact O-CB 3.35Å; G448-A452 PolarHBondContact O-N 2.59Å |
| 449 | Q | 79.5 | Confident | 74.7 | Confident | 137 Ų | 137 | 52.6 Ų | 52.6 | 64% | 0.64 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.3 | -38.6 | 175 | -72.8 | 173.9 | 22.7 | 0 | 0 | 112.6 | E445 K446 I447 G453 | E445-Q449 WeakPolarHBondContact O-CB 3.32Å; E445-Q449 VanDerWaalsContact O-CG 3.28Å; E445-Q449 WeakPolarHBondContact O-CG 3.49Å; E445-Q449 PolarHBondContact O-N 3.06Å; K446-Q449 PolarHBondContact O-N 3.27Å; I447-Q449 PolarHBondContact O-N 2.9Å; Q449-G453 PolarHBondContact O-N 2.95Å |
| 450 | L | 80.7 | Confident | 74.4 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 175.8 | -103.7 | 156.7 | 0 | 0 | 0 | 112.4 | T352 F354 K446 I447 G453 Y454 | T352-L450 HydrophobicContact CG2-CD1 4.11Å; F354-L450 HydrophobicContact CE2-CD1 3.99Å; F354-L450 HydrophobicContact CZ-CD1 3.59Å; K446-L450 PolarHBondContact O-N 2.95Å; I447-L450 PolarHBondContact O-N 3.34Å; L450-G453 PolarHBondContact O-N 2.58Å; L450-Y454 HydrophobicContact CD2-CD2 4.37Å; L450-Y454 HydrophobicContact CD2-CE2 3.58Å; L450-Y454 VanDerWaalsContact O-CD2 3.31Å; L450-Y454 WeakPolarHBondContact O-CD2 3.32Å; L450-Y454 PolarHBondContact O-N 2.95Å |
| 451 | I | 81.4 | Confident | 74.1 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 176.4 | -70.4 | 174.8 | 0 | 0 | 0 | 110.5 | V391 V396 L412 W418 F425 L427 I447 G453 Y454 I455 | V391-I451 HydrophobicContact CG1-CG1 4.03Å; V396-I451 HydrophobicContact CG2-CD1 4.27Å; L412-I451 HydrophobicContact CD2-CG1 4.42Å; L412-I451 HydrophobicContact CD2-CG2 3.96Å; W418-I451 HydrophobicContact CD2-CG2 3.98Å; W418-I451 HydrophobicContact CE3-CG2 3.84Å; W418-I451 HydrophobicContact CH2-CG2 3.92Å; W418-I451 HydrophobicContact CZ2-CG2 4.02Å; W418-I451 HydrophobicContact CZ3-CG2 3.81Å; F425-I451 HydrophobicContact CE1-CD1 4.37Å; F425-I451 HydrophobicContact CZ-CD1 4.07Å; L427-I451 HydrophobicContact CD2-CD1 3.98Å; I447-I451 HydrophobicContact CG2-CD1 4.09Å; I447-I451 WeakPolarHBondContact O-CG1 3.33Å; I447-I451 PolarHBondContact O-N 3.38Å; I451-G453 VanDerWaalsContact C-N 3.34Å; I451-G453 PolarHBondContact O-N 2.74Å; I451-Y454 PolarHBondContact O-N 2.87Å; I451-I455 HydrophobicContact CG2-CD1 3.69Å; I451-I455 WeakPolarHBondContact O-CB 3.49Å; I451-I455 WeakPolarHBondContact O-CG1 3.33Å; I451-I455 PolarHBondContact O-N 2.97Å |
| 452 | A | 77.1 | Confident | 73.6 | Confident | 39 Ų | 39 | 67 Ų | 67 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58 | -44.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W418 G448 I455 D456 | W418-A452 HydrophobicContact CZ2-CB 4.09Å; G448-A452 WeakPolarHBondContact O-CB 3.35Å; G448-A452 PolarHBondContact O-N 2.59Å; A452-I455 PolarHBondContact O-N 2.84Å; A452-D456 WeakPolarHBondContact O-CB 3.47Å; A452-D456 PolarHBondContact O-N 3.21Å |
| 453 | G | 73.3 | Confident | 72.6 | Confident | 33 Ų | 33 | 72.5 Ų | 72.5 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q449 L450 I451 I457 | Q449-G453 PolarHBondContact O-N 2.95Å; L450-G453 PolarHBondContact O-N 2.58Å; I451-G453 VanDerWaalsContact C-N 3.34Å; I451-G453 PolarHBondContact O-N 2.74Å; G453-I457 WeakPolarHBondContact O-CG1 3.42Å; G453-I457 PolarHBondContact O-N 2.86Å |
| 454 | Y | 76 | Confident | 71.5 | Confident | 52 Ų | 52 | 73 Ų | 73 | 20% | 0.204 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 174.6 | -68.5 | -46.9 | 0 | 0 | 0 | 111.8 | V391 K393 L450 I451 D456 I457 I458 | V391-Y454 HydrophobicContact CG1-CD2 4.04Å; V391-Y454 HydrophobicContact CG1-CE2 3.91Å; K393-Y454 HydrophobicContact CB-CD1 4.14Å; K393-Y454 HydrophobicContact CB-CE1 4.36Å; L450-Y454 HydrophobicContact CD2-CD2 4.37Å; L450-Y454 HydrophobicContact CD2-CE2 3.58Å; L450-Y454 VanDerWaalsContact O-CD2 3.31Å; L450-Y454 WeakPolarHBondContact O-CD2 3.32Å; L450-Y454 PolarHBondContact O-N 2.95Å; I451-Y454 PolarHBondContact O-N 2.87Å; Y454-D456 PolarHBondContact O-N 3.34Å; Y454-I457 PolarHBondContact O-N 3.48Å; Y454-I457 VanDerWaalsContact O-N 3.16Å; Y454-I458 VanDerWaalsContact O-CG1 3.3Å; Y454-I458 WeakPolarHBondContact O-CG1 3.42Å; Y454-I458 PolarHBondContact O-N 2.95Å |
| 455 | I | 72 | Confident | 70.4 | Confident | 37 Ų | 37 | 81.3 Ų | 81.3 | 19% | 0.19 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 177.7 | -71.3 | 168.5 | 0 | 0 | 0 | 111.4 | L412 W418 I451 A452 I457 I458 L459 | L412-I455 HydrophobicContact CD2-CD1 4.47Å; W418-I455 HydrophobicContact CH2-CD1 3.49Å; W418-I455 VanDerWaalsContact CH2-CD1 3.49Å; W418-I455 HydrophobicContact CZ3-CD1 3.52Å; I451-I455 HydrophobicContact CG2-CD1 3.69Å; I451-I455 WeakPolarHBondContact O-CB 3.49Å; I451-I455 WeakPolarHBondContact O-CG1 3.33Å; I451-I455 PolarHBondContact O-N 2.97Å; A452-I455 PolarHBondContact O-N 2.84Å; I455-I457 VanDerWaalsContact C-N 3.29Å; I455-I457 PolarHBondContact O-N 3.43Å; I455-I458 PolarHBondContact O-N 3.02Å; I455-L459 HydrophobicContact CG2-CD1 3.72Å; I455-L459 HydrophobicContact CG2-CG 4.12Å; I455-L459 WeakPolarHBondContact O-CB 3.19Å; I455-L459 VanDerWaalsContact O-CG 3.29Å; I455-L459 WeakPolarHBondContact O-CG 3.45Å; I455-L459 PolarHBondContact O-N 3.41Å |
| 456 | D | 67.9 | Low | 69 | Low | 87 Ų | 87 | 81.2 Ų | 81.2 | 47% | 0.465 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.6 | -37.3 | 174.9 | -105.7 | 9.2 | 0 | 0 | 0 | 112.6 | A452 Y454 R460 | A452-D456 WeakPolarHBondContact O-CB 3.47Å; A452-D456 PolarHBondContact O-N 3.21Å; Y454-D456 PolarHBondContact O-N 3.34Å; D456-R460 WeakPolarHBondContact O-CB 3.44Å; D456-R460 WeakPolarHBondContact O-CG 3.35Å; D456-R460 PolarHBondContact O-N 3.38Å |
| 457 | I | 66.3 | Low | 67.7 | Low | 96 Ų | 96 | 84.4 Ų | 84.4 | 49% | 0.492 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.9 | -43.6 | 175.8 | -67.1 | 166.6 | 0 | 0 | 0 | 110.8 | G453 Y454 I455 R460 K461 | G453-I457 WeakPolarHBondContact O-CG1 3.42Å; G453-I457 PolarHBondContact O-N 2.86Å; Y454-I457 PolarHBondContact O-N 3.48Å; Y454-I457 VanDerWaalsContact O-N 3.16Å; I455-I457 VanDerWaalsContact C-N 3.29Å; I455-I457 PolarHBondContact O-N 3.43Å; I457-R460 PolarHBondContact O-N 2.66Å; I457-K461 PolarHBondContact O-N 2.92Å |
| 458 | I | 68.5 | Low | 65.7 | Low | 48 Ų | 48 | 93.2 Ų | 93.2 | 25% | 0.246 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 176.1 | -63.9 | 163.1 | 0 | 0 | 0 | 110.3 | K393 Y454 I455 K461 K462 | K393-I458 WeakPolarHBondContact O-CD1 3.17Å; Y454-I458 VanDerWaalsContact O-CG1 3.3Å; Y454-I458 WeakPolarHBondContact O-CG1 3.42Å; Y454-I458 PolarHBondContact O-N 2.95Å; I455-I458 PolarHBondContact O-N 3.02Å; I458-K461 CarbonylContact O-C 3.57Å; I458-K461 PolarHBondContact O-N 3.42Å; I458-K462 PolarHBondContact O-N 3.25Å |
| 459 | L | 67.4 | Low | 63.7 | Low | 75 Ų | 75 | 96 Ų | 96 | 39% | 0.393 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 178.7 | -71.2 | 175.5 | 0 | 0 | 0 | 112.1 | I455 R463 | I455-L459 HydrophobicContact CG2-CD1 3.72Å; I455-L459 HydrophobicContact CG2-CG 4.12Å; I455-L459 WeakPolarHBondContact O-CB 3.19Å; I455-L459 VanDerWaalsContact O-CG 3.29Å; I455-L459 WeakPolarHBondContact O-CG 3.45Å; I455-L459 PolarHBondContact O-N 3.41Å; L459-R463 WeakPolarHBondContact O-CB 3.43Å; L459-R463 WeakPolarHBondContact O-CG 3.44Å; L459-R463 PolarHBondContact O-N 3.08Å |
| 460 | R | 66.4 | Low | 61.8 | Low | 176 Ų | 176 | 96.9 Ų | 96.9 | 66% | 0.664 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.8 | -41.2 | 170.6 | -79.8 | -179.1 | -175.4 | 142.9 | 9 | 111.8 | D456 I457 A464 | D456-R460 WeakPolarHBondContact O-CB 3.44Å; D456-R460 WeakPolarHBondContact O-CG 3.35Å; D456-R460 PolarHBondContact O-N 3.38Å; I457-R460 PolarHBondContact O-N 2.66Å; R460-A464 VanDerWaalsContact O-CB 3.27Å; R460-A464 WeakPolarHBondContact O-CB 3.49Å; R460-A464 PolarHBondContact O-N 2.86Å |
| 461 | K | 60.8 | Low | 59.7 | Low | 117 Ų | 117 | 103.6 Ų | 103.6 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.8 | -36.2 | 178 | -102.9 | -174.1 | 172 | 179 | 0 | 113.9 | F220 I457 I458 A464 K465 | F220-K461 VanDerWaalsContact CZ-NZ 3.31Å; I457-K461 PolarHBondContact O-N 2.92Å; I458-K461 CarbonylContact O-C 3.57Å; I458-K461 PolarHBondContact O-N 3.42Å; K461-A464 PolarHBondContact O-N 3.42Å; K461-K465 WeakPolarHBondContact O-CB 3.26Å; K461-K465 PolarHBondContact O-N 2.99Å |
| 462 | K | 61.8 | Low | 57.5 | Low | 106 Ų | 106 | 107 Ų | 107 | 46% | 0.461 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.6 | -52.4 | 170.2 | -92.3 | 176 | 168.5 | 170.1 | 0 | 110.1 | E413 I458 A464 K465 D466 | E413-K462 IonicContact OE1-NZ 3.83Å; E413-K462 PolarHBondContact OE1-NZ 3.46Å; I458-K462 PolarHBondContact O-N 3.25Å; K462-A464 VanDerWaalsContact C-N 3.26Å; K462-A464 PolarHBondContact O-N 3.19Å; K462-K465 PolarHBondContact O-N 3.14Å; K462-K465 VanDerWaalsContact O-N 3.09Å; K462-D466 VanDerWaalsContact O-CG 3.27Å; K462-D466 PolarHBondContact O-N 3.41Å |
| 463 | R | 54.6 | Low | 55.5 | Low | 186 Ų | 186 | 112.4 Ų | 112.4 | 70% | 0.702 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.2 | -30.4 | 175.5 | -69.6 | 179.5 | -170.7 | 172.5 | 6.7 | 114.4 | L459 | L459-R463 WeakPolarHBondContact O-CB 3.43Å; L459-R463 WeakPolarHBondContact O-CG 3.44Å; L459-R463 PolarHBondContact O-N 3.08Å |
| 464 | A | 53.2 | Low | 53.7 | Low | 61 Ų | 61 | 120.3 Ų | 120.3 | 50% | 0.504 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -80.2 | -33.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R460 K461 K462 | R460-A464 VanDerWaalsContact O-CB 3.27Å; R460-A464 WeakPolarHBondContact O-CB 3.49Å; R460-A464 PolarHBondContact O-N 2.86Å; K461-A464 PolarHBondContact O-N 3.42Å; K462-A464 VanDerWaalsContact C-N 3.26Å; K462-A464 PolarHBondContact O-N 3.19Å |
| 465 | K | 52.4 | Low | 51.9 | Low | 175 Ų | 175 | 121.5 Ų | 121.5 | 76% | 0.761 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.5 | -35.2 | 173.8 | -89.5 | -168.7 | 165.5 | -168.5 | 0 | 112.3 | K461 K462 H467 F468 | K461-K465 WeakPolarHBondContact O-CB 3.26Å; K461-K465 PolarHBondContact O-N 2.99Å; K462-K465 PolarHBondContact O-N 3.14Å; K462-K465 VanDerWaalsContact O-N 3.09Å; K465-H467 PolarHBondContact O-N 2.86Å; K465-F468 PolarHBondContact O-N 2.85Å |
| 466 | D | 48.1 | Very low | 50.1 | Low | 133 Ų | 133 | 125.4 Ų | 125.4 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 2.3 | 177.4 | -64 | -22.8 | 0 | 0 | 0 | 113.8 | K462 | K462-D466 VanDerWaalsContact O-CG 3.27Å; K462-D466 PolarHBondContact O-N 3.41Å |
| 467 | H | 52 | Low | 48.5 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | 4 | -178.2 | -131.5 | 68.7 | 0 | 0 | 0 | 115.6 | K465 | K465-H467 PolarHBondContact O-N 2.86Š|
| 468 | F | 40 | Very low | 46.9 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 81% | 0.811 | 70% | 0.698 | S | S | * | * | trans | -136.9 | 95 | 172.8 | -88.1 | -86 | 0 | 0 | 0 | 111.2 | K465 | K465-F468 PolarHBondContact O-N 2.85Š| ||
| 469 | G | 37.8 | Very low | 45.3 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | -91.8 | 173.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 470 | I | 39.6 | Very low | 43.6 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | 99.7 | 90.3 | 176.8 | -54.8 | 165.8 | 0 | 0 | 0 | 115.1 | ||||
| 471 | E | 36.9 | Very low | 42.1 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | 70.9 | 135 | 129.8 | -62.8 | 169.8 | 176.5 | 0 | 0 | 123.7 | |||||
| 472 | G | 35.3 | Very low | 40.6 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | 94.4 | 91.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 473 | D | 34.6 | Very low | 39.2 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | cis | 62.4 | 98.4 | 45.1 | -160.1 | 20.6 | 0 | 0 | 0 | 116 | ||||
| 474 | E | 36.2 | Very low | 38.2 | Very low | 198 Ų | 198 | 137.9 Ų | 137.9 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -172.7 | 112.4 | 138.3 | -107.5 | -178.8 | -162.6 | 0 | 0 | 108.5 | ||||
| 475 | G | 38.2 | Very low | 37.1 | Very low | 78 Ų | 78 | 141.2 Ų | 141.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 157.8 | -8.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 476 | S | 34.9 | Very low | 36 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -93 | 111.7 | -174.4 | -80.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 477 | T | 33.7 | Very low | 35.1 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -175.2 | 128.7 | 148.1 | 47.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 478 | M | 33.3 | Very low | 34 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 82% | 0.823 | 80% | 0.803 | S | S | * | * | S | Bend | cis | -139.7 | 170.4 | 14 | -55 | 164.7 | 57 | 0 | 0 | 106.9 | ||
| 479 | L | 33.2 | Very low | 33.5 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 68% | 0.681 | 80% | 0.8 | S | S | * | * | cis | -156.7 | 141.9 | 8.9 | -145.8 | 169.7 | 0 | 0 | 0 | 107.7 | ||||
| 480 | E | 31.7 | Very low | 33.1 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -129.2 | 141.6 | 165.1 | -80.8 | -172.2 | 146.6 | 0 | 0 | 108.8 | ||||
| 481 | D | 35 | Very low | 32.5 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | -143.6 | 111 | 164.7 | -111.3 | -30.3 | 0 | 0 | 0 | 111.1 | ||||
| 482 | V | 30.3 | Very low | 32.1 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 62.5 | 94.8 | 151.5 | -163.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 483 | V | 31.8 | Very low | 31.9 | Very low | 143 Ų | 143 | 136 Ų | 136 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | -145.5 | 124.6 | 105.4 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 484 | T | 34.9 | Very low | 31.7 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -83.4 | 141.7 | -172.3 | 44.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 485 | P | 28.7 | Very low | 31.4 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | -88.9 | 119 | 173.2 | 33.1 | -31.1 | 0 | 0 | 0 | 111.7 | ||||
| 486 | A | 30 | Very low | 30.9 | Very low | 87 Ų | 87 | 128.8 Ų | 128.8 | 72% | 0.719 | 75% | 0.748 | S | S | * | * | trans | -150.2 | 82.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 487 | K | 28.4 | Very low | 30.7 | Very low | 212 Ų | 212 | 131.7 Ų | 131.7 | 92% | 0.922 | 75% | 0.745 | S | S | * | * | 168.1 | 101.6 | 119.8 | -93.7 | 174.7 | 176.9 | 176.9 | 0 | 112.8 | |||||
| 488 | A | 29 | Very low | 30.5 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | trans | -92.9 | 146 | 146.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 489 | T | 29.9 | Very low | 30.4 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | trans | 57.6 | 100.2 | 145.8 | -39.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 490 | L | 28.5 | Very low | 30.3 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -173.7 | 104.2 | 143.8 | -98.7 | 138.8 | 0 | 0 | 0 | 107.1 | ||||
| 491 | M | 27.1 | Very low | 30 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | 60.8 | 121.1 | 84.3 | -66.6 | -169.8 | 66.4 | 0 | 0 | 116 | |||||
| 492 | S | 29.9 | Very low | 29.7 | Very low | 69 Ų | 69 | 128.6 Ų | 128.6 | 48% | 0.483 | 74% | 0.737 | S | S | . | * | trans | 57.1 | 110.5 | 145.1 | 60.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 493 | H | 31.1 | Very low | 29.5 | Very low | 132 Ų | 132 | 131 Ų | 131 | 61% | 0.611 | 74% | 0.741 | S | S | * | * | trans | 70.4 | 132.9 | 151 | -64.8 | -74 | 0 | 0 | 0 | 120.3 | V508 P509 | H493-V508 WeakPolarHBondContact CA-O 3.26Å; H493-V508 PolarHBondContact N-O 3.3Å; H493-V508 VanDerWaalsContact N-O 3.12Å; H493-P509 PolarHBondContact CE1-O 3.25Å; H493-P509 VanDerWaalsContact N-CD 3.31Å; H493-P509 PolarHBondContact ND1-O 2.81Å | ||
| 494 | G | 29.9 | Very low | 29.3 | Very low | 64 Ų | 64 | 127.9 Ų | 127.9 | 66% | 0.66 | 74% | 0.737 | S | S | * | * | trans | 128.7 | 136.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 495 | L | 28.9 | Very low | 29 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 47% | 0.471 | 73% | 0.734 | S | S | . | * | trans | -116.1 | 175.8 | 178.4 | -90 | 135 | 0 | 0 | 0 | 111.5 | N505 I506 | L495-N505 HydrophobicContact CD2-CB 4.28Å; L495-N505 WeakPolarHBondContact CD2-OD1 3.06Å; L495-I506 HydrophobicContact CD2-CB 3.77Å; L495-I506 HydrophobicContact CD2-CD1 3.96Å; L495-I506 HydrophobicContact CD2-CG1 4.41Å; L495-I506 HydrophobicContact CD2-CG2 4.22Å; L495-I506 HydrophobicContact CG-CB 3.97Å; L495-I506 HydrophobicContact CG-CD1 4.38Å; L495-I506 HydrophobicContact CG-CG2 3.83Å | ||
| 496 | V | 29.7 | Very low | 28.8 | Very low | 122 Ų | 122 | 127 Ų | 127 | 74% | 0.739 | 72% | 0.719 | S | S | * | * | trans | 88.3 | 130.3 | 160.7 | -178.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 497 | K | 30 | Very low | 28.6 | Very low | 180 Ų | 180 | 127 Ų | 127 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | cis | -167.4 | 178.5 | -7.1 | -115.1 | -175.2 | -170.7 | 179 | 0 | 111.5 | ||||
| 498 | E | 30.1 | Very low | 28.9 | Very low | 182 Ų | 182 | 122.3 Ų | 122.3 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | trans | 87.4 | 131.6 | 158.6 | -44.7 | -164.1 | 164.5 | 0 | 0 | 118.6 | ||||
| 499 | A | 30 | Very low | 29.1 | Very low | 71 Ų | 71 | 121.2 Ų | 121.2 | 59% | 0.587 | 69% | 0.694 | S | S | * | * | S | Bend | cis | -167.2 | 146.2 | -23.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||
| 500 | Y | 30.5 | Very low | 28.9 | Very low | 239 Ų | 239 | 119.7 Ų | 119.7 | 94% | 0.937 | 69% | 0.693 | S | S | * | * | cis | -136.7 | 170 | 1.2 | -53.8 | -105.5 | 0 | 0 | 0 | 106.2 | ||||
| 501 | G | 25.9 | Very low | 28.9 | Very low | 68 Ų | 68 | 119.2 Ų | 119.2 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | cis | 161.8 | 149.9 | 1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 502 | L | 28.5 | Very low | 28.8 | Very low | 144 Ų | 144 | 119.5 Ų | 119.5 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | cis | -123.8 | 145.5 | 7.9 | -75 | 87.9 | 0 | 0 | 0 | 112 | ||||
| 503 | E | 27.4 | Very low | 28.6 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | 51.3 | 114.3 | 142.7 | -60.7 | 169 | -174.5 | 0 | 0 | 119.5 | ||||
| 504 | G | 27.9 | Very low | 28.4 | Very low | 76 Ų | 76 | 125.4 Ų | 125.4 | 78% | 0.784 | 72% | 0.716 | S | S | * | * | cis | 167.6 | -178.5 | 1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 505 | N | 27.4 | Very low | 28.3 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | cis | -178.3 | 115.3 | -17 | -135.7 | -8.9 | 0 | 0 | 0 | 107.6 | L495 | L495-N505 HydrophobicContact CD2-CB 4.28Å; L495-N505 WeakPolarHBondContact CD2-OD1 3.06Å | ||
| 506 | I | 24.8 | Very low | 28.4 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 53% | 0.528 | 73% | 0.727 | S | S | . | * | trans | 24.1 | 130.9 | 143.6 | -55.4 | 159.1 | 0 | 0 | 0 | 120.5 | L495 | L495-I506 HydrophobicContact CD2-CB 3.77Å; L495-I506 HydrophobicContact CD2-CD1 3.96Å; L495-I506 HydrophobicContact CD2-CG1 4.41Å; L495-I506 HydrophobicContact CD2-CG2 4.22Å; L495-I506 HydrophobicContact CG-CB 3.97Å; L495-I506 HydrophobicContact CG-CD1 4.38Å; L495-I506 HydrophobicContact CG-CG2 3.83Å | ||
| 507 | A | 26.7 | Very low | 28.4 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | 173.8 | 139.4 | 126.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 508 | V | 33.2 | Very low | 28.6 | Very low | 114 Ų | 114 | 124 Ų | 124 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | trans | -139.3 | 155 | 156 | 174.2 | 0 | 0 | 0 | 0 | 105.7 | H493 | H493-V508 WeakPolarHBondContact CA-O 3.26Å; H493-V508 PolarHBondContact N-O 3.3Å; H493-V508 VanDerWaalsContact N-O 3.12Å | ||
| 509 | P | 33.8 | Very low | 28.5 | Very low | 65 Ų | 65 | 123.2 Ų | 123.2 | 42% | 0.422 | 73% | 0.725 | S | S | . | * | cis | -115.9 | -168.8 | -30.6 | 40.8 | -28.7 | 0 | 0 | 0 | 110.5 | H493 | H493-P509 PolarHBondContact CE1-O 3.25Å; H493-P509 VanDerWaalsContact N-CD 3.31Å; H493-P509 PolarHBondContact ND1-O 2.81Å | ||
| 510 | A | 25.6 | Very low | 28.4 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -159.9 | 138 | 156.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 511 | I | 29.3 | Very low | 28.4 | Very low | 154 Ų | 154 | 120.1 Ų | 120.1 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | trans | -103.4 | 127.3 | 178.7 | -64.5 | 160.6 | 0 | 0 | 0 | 110.5 | ||||
| 512 | I | 25.1 | Very low | 28.2 | Very low | 160 Ų | 160 | 126.6 Ų | 126.6 | 82% | 0.821 | 73% | 0.728 | S | S | * | * | trans | -141 | 101.5 | 152.7 | -57.8 | -174.6 | 0 | 0 | 0 | 105.1 | ||||
| 513 | R | 25.6 | Very low | 28.3 | Very low | 214 Ų | 214 | 123.4 Ų | 123.4 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | 53 | 126 | 94.6 | -64.9 | -176.4 | -176.6 | -162.6 | 2.5 | 112.2 | |||||
| 514 | S | 26 | Very low | 28.4 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | cis | -154.8 | 163.7 | 7.8 | -56.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 515 | G | 29.1 | Very low | 28.5 | Very low | 61 Ų | 61 | 122.1 Ų | 122.1 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | cis | -162.1 | 157.8 | 0.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 516 | I | 29.4 | Very low | 28.6 | Very low | 141 Ų | 141 | 121.1 Ų | 121.1 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | 81 | 104.5 | 84.3 | -65.8 | 167.6 | 0 | 0 | 0 | 111.8 | |||||
| 517 | N | 30.5 | Very low | 28.6 | Very low | 154 Ų | 154 | 122.8 Ų | 122.8 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | 83 | 139.2 | 152.8 | -56.3 | -4.2 | 0 | 0 | 0 | 120.5 | ||||
| 518 | G | 33.6 | Very low | 28.7 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | 111.3 | 55.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 519 | E | 27.9 | Very low | 28.3 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | 52.7 | 112.3 | 74.9 | -80.6 | -166.5 | 153.2 | 0 | 0 | 115.6 | |||||
| 520 | I | 29.2 | Very low | 27.9 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | trans | 73.2 | 142.1 | 134.5 | -58.5 | 169.4 | 0 | 0 | 0 | 117.1 | ||||
| 521 | P | 29 | Very low | 28.1 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | cis | -136 | 178.8 | -24.6 | 38.2 | -19.5 | 0 | 0 | 0 | 115.4 | ||||
| 522 | F | 23.5 | Very low | 28.1 | Very low | 204 Ų | 204 | 137.7 Ų | 137.7 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | 5.1 | 127.7 | 149.7 | -69.9 | -92.6 | 0 | 0 | 0 | 120.7 | ||||
| 523 | G | 29.7 | Very low | 28.4 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -153.3 | 74.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G525 | G523-G525 PolarHBondContact O-N 2.88Š| ||
| 524 | T | 29.9 | Very low | 28.7 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -66.9 | 115.3 | 165.9 | 43.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 525 | G | 30.2 | Very low | 28.9 | Very low | 76 Ų | 76 | 129.8 Ų | 129.8 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | -174.2 | 128.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G523 | G523-G525 PolarHBondContact O-N 2.88Š| ||
| 526 | S | 27.8 | Very low | 29 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -62.9 | 164.1 | -177.7 | 59.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 527 | L | 25.5 | Very low | 29 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | trans | 84.5 | 130.6 | 152.7 | -98.8 | 73.8 | 0 | 0 | 0 | 120.5 | ||||
| 528 | Q | 28.1 | Very low | 28.9 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 71 | 103.4 | 142.1 | -68.3 | 177.4 | -4.2 | 0 | 0 | 121.9 | ||||
| 529 | R | 25.8 | Very low | 28.6 | Very low | 245 Ų | 245 | 130.8 Ų | 130.8 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | 68 | 122.6 | 115.2 | -146.2 | -178 | -166.9 | 176 | 4.6 | 120 | |||||
| 530 | A | 26 | Very low | 28.6 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 65% | 0.645 | 78% | 0.779 | S | S | * | * | trans | 83.6 | 112 | 144.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 531 | Q | 28.1 | Very low | 28.4 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | 87.5 | 135.8 | 117.9 | -72.8 | -176.4 | -11.8 | 0 | 0 | 124.1 | |||||
| 532 | F | 29.8 | Very low | 28.3 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | trans | 92.1 | 131.7 | 145.3 | -80.2 | -66.8 | 0 | 0 | 0 | 123.1 | ||||
| 533 | G | 31.2 | Very low | 28.4 | Very low | 72 Ų | 72 | 122 Ų | 122 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | 97.9 | 104.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 534 | A | 32.4 | Very low | 28.4 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | 88.7 | 138.9 | 20.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 535 | V | 30 | Very low | 28.5 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | trans | 98.2 | 121.1 | 160.3 | -171.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 536 | G | 31 | Very low | 28.4 | Very low | 74 Ų | 74 | 124 Ų | 124 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | 145.1 | 109.9 | 141.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 537 | G | 30.5 | Very low | 28.4 | Very low | 73 Ų | 73 | 125.2 Ų | 125.2 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | 85.6 | 115.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 538 | Q | 28.3 | Very low | 28.5 | Very low | 186 Ų | 186 | 121.5 Ų | 121.5 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | 93.6 | 109.8 | 53.1 | -82.2 | -170.7 | -42.7 | 0 | 0 | 115.5 | |||||
| 539 | V | 25.8 | Very low | 28.5 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | trans | 84.7 | 135.7 | 132.8 | -179.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 540 | T | 27.9 | Very low | 28.5 | Very low | 123 Ų | 123 | 119.1 Ų | 119.1 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 59.4 | 115.8 | 163.8 | 48.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 541 | S | 25.5 | Very low | 28.6 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | 86.7 | 91 | 54 | 76.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 542 | A | 27.6 | Very low | 28.5 | Very low | 90 Ų | 90 | 119.7 Ų | 119.7 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | 174.7 | 113.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 543 | S | 26.3 | Very low | 28.5 | Very low | 106 Ų | 106 | 116.4 Ų | 116.4 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | 71.8 | 140.3 | 65.7 | 74.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 544 | V | 28.9 | Very low | 28.3 | Very low | 133 Ų | 133 | 120.6 Ų | 120.6 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | 104.5 | 127 | 162.7 | 178.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 545 | P | 31 | Very low | 28.1 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | cis | -142.9 | 178.3 | -28.8 | 39.9 | -20.9 | 0 | 0 | 0 | 115.5 | ||||
| 546 | A | 28.8 | Very low | 28.1 | Very low | 99 Ų | 99 | 124 Ų | 124 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -111.5 | 155.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 547 | V | 28.2 | Very low | 27.9 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -151.5 | 134.6 | 171.8 | -175.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 548 | G | 27.4 | Very low | 27.7 | Very low | 61 Ų | 61 | 133.9 Ų | 133.9 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | cis | -163.1 | 167.3 | -11.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 549 | Y | 28.2 | Very low | 27.8 | Very low | 189 Ų | 189 | 131.1 Ų | 131.1 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | cis | -144.4 | 133.1 | 21.6 | -81.1 | -102.7 | 0 | 0 | 0 | 108.6 | ||||
| 550 | Q | 26.3 | Very low | 27.8 | Very low | 175 Ų | 175 | 130.3 Ų | 130.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | 51.3 | 128.3 | 109.2 | -60.7 | -178.3 | -10 | 0 | 0 | 115.4 | |||||
| 551 | S | 27.4 | Very low | 27.8 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | cis | -163.4 | 149.6 | 44.8 | 53.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 552 | N | 27.1 | Very low | 27.8 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | 57.8 | 139.6 | 152.6 | -63.4 | -13.5 | 0 | 0 | 0 | 120.2 | ||||
| 553 | S | 28.1 | Very low | 28 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | cis | -167.5 | 142.1 | -0.3 | 39.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 554 | Q | 28.4 | Very low | 28.2 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 71.4 | 115.3 | 142.8 | -68.4 | 175.3 | 9.5 | 0 | 0 | 123.2 | ||||
| 555 | Q | 27.7 | Very low | 28.2 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 69.6 | 144.2 | 137.3 | -54.2 | 173.8 | 17.2 | 0 | 0 | 118.3 | ||||
| 556 | L | 28.9 | Very low | 28.1 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | cis | -131.1 | 134 | 8.7 | -85 | 92.1 | 0 | 0 | 0 | 114.1 | ||||
| 557 | R | 28.1 | Very low | 28.4 | Very low | 229 Ų | 229 | 148.9 Ų | 148.9 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | 26.6 | 114.7 | 127.8 | -70.8 | -177.6 | 173.3 | 172.9 | -1.1 | 121.4 | |||||
| 558 | C | 25.5 | Very low | 28.7 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -60.8 | 148.5 | 147.2 | -174.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 559 | V | 30.6 | Very low | 29.4 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -133.4 | 121 | 159.1 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 560 | S | 26.2 | Very low | 30.3 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | -80.8 | 137.9 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 561 | M | 28.5 | Very low | 31.3 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -138.3 | 94.7 | 157.1 | -78.7 | -154.6 | -80.2 | 0 | 0 | 113.2 | ||||
| 562 | K | 25.8 | Very low | 32.4 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | trans | 36.3 | 108.4 | 135.3 | -59.4 | 173.2 | -179.6 | 173.9 | 0 | 118.2 | ||||
| 563 | F | 31.4 | Very low | 33.7 | Very low | 216 Ų | 216 | 148.2 Ų | 148.2 | 95% | 0.947 | 76% | 0.756 | S | S | * | * | trans | -140.8 | 130.2 | 130.8 | -109.9 | -81.1 | 0 | 0 | 0 | 110.7 | ||||
| 564 | Q | 29.3 | Very low | 35.2 | Very low | 195 Ų | 195 | 144.8 Ų | 144.8 | 91% | 0.911 | 73% | 0.73 | S | S | * | * | trans | -90.5 | 147.4 | -179 | -65.6 | 166.4 | -53.6 | 0 | 0 | 110.5 | ||||
| 565 | G | 28.8 | Very low | 37.2 | Very low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | 128 | 105 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 566 | Q | 30.4 | Very low | 39.1 | Very low | 195 Ų | 195 | 140.1 Ų | 140.1 | 91% | 0.911 | 71% | 0.705 | S | S | * | * | trans | 55.4 | 71.9 | 148 | -58.2 | -177.4 | -10.7 | 0 | 0 | 119.7 | ||||
| 567 | K | 33.5 | Very low | 40.9 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 57% | 0.57 | 68% | 0.677 | S | S | * | * | trans | -137.9 | 11.3 | 159.1 | -81.9 | -155.4 | 172.7 | -164.5 | 0 | 120.8 | K569 | K567-K569 PolarHBondContact O-N 2.69Š| ||
| 568 | P | 36.2 | Very low | 43.1 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -66.4 | -30.7 | -166.3 | -18.4 | 31.3 | 0 | 0 | 0 | 117 | I570 F571 | P568-I570 VanDerWaalsContact C-N 3.25Å; P568-I570 PolarHBondContact O-N 3.44Å; P568-I570 VanDerWaalsContact O-N 3.12Å; P568-F571 PolarHBondContact O-N 3.26Å |
| 569 | K | 41.2 | Very low | 45.5 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 67% | 0.665 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -72.1 | -5.4 | -167.3 | -82.7 | -169.1 | 173 | -173.8 | 0 | 116.7 | K567 | K567-K569 PolarHBondContact O-N 2.69Š|
| 570 | I | 47.8 | Very low | 47.5 | Very low | 98 Ų | 98 | 122.2 Ų | 122.2 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -95.9 | -22.7 | -179.7 | -61 | 174.7 | 0 | 0 | 0 | 111.2 | P568 D572 M573 M574 | P568-I570 VanDerWaalsContact C-N 3.25Å; P568-I570 PolarHBondContact O-N 3.44Å; P568-I570 VanDerWaalsContact O-N 3.12Å; I570-D572 PolarHBondContact O-N 2.87Å; I570-M573 PolarHBondContact O-N 2.88Å; I570-M574 HydrophobicContact CG2-CE 4.07Å; I570-M574 HydrophobicContact CG2-SD 4.42Å |
| 571 | F | 46.8 | Very low | 50.1 | Low | 116 Ų | 116 | 117.8 Ų | 117.8 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -69.9 | -33.1 | -173.5 | -104.2 | -91.2 | 0 | 0 | 0 | 114.3 | P568 M573 M574 R579 | P568-F571 PolarHBondContact O-N 3.26Å; F571-M573 VanDerWaalsContact C-N 3.27Å; F571-M573 PolarHBondContact O-N 2.77Å; F571-M574 PolarHBondContact O-N 3.29Å; F571-R579 HydrophobicContact CD1-CG 4.42Å; F571-R579 HydrophobicContact CE1-CG 4.36Å |
| 572 | D | 49.8 | Very low | 52.6 | Low | 155 Ų | 155 | 110.6 Ų | 110.6 | 83% | 0.829 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -75.4 | -11.4 | -178.1 | -67.9 | -28.3 | 0 | 0 | 0 | 114 | I570 | I570-D572 PolarHBondContact O-N 2.87Š|
| 573 | M | 54.4 | Low | 55.3 | Low | 173 Ų | 173 | 103.6 Ų | 103.6 | 85% | 0.852 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -100.4 | 2.1 | 176.2 | -65 | -169.7 | 72.5 | 0 | 0 | 113.3 | I570 F571 | I570-M573 PolarHBondContact O-N 2.88Å; F571-M573 VanDerWaalsContact C-N 3.27Å; F571-M573 PolarHBondContact O-N 2.77Å |
| 574 | M | 60.4 | Low | 57.7 | Low | 21 Ų | 21 | 94.5 Ų | 94.5 | 10% | 0.103 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -96.6 | 133 | -178.1 | -74.4 | 179.4 | 152.7 | 0 | 0 | 112.4 | I570 F571 Q578 R579 I582 P713 | I570-M574 HydrophobicContact CG2-CE 4.07Å; I570-M574 HydrophobicContact CG2-SD 4.42Å; F571-M574 PolarHBondContact O-N 3.29Å; M574-Q578 HydrophobicContact CB-CB 4.22Å; M574-R579 HydrophobicContact CB-CG 4.1Å; M574-R579 PolarHBondContact O-NE 3.31Å; M574-I582 HydrophobicContact CE-CD1 3.97Å; M574-I582 HydrophobicContact SD-CD1 3.73Å; M574-P713 HydrophobicContact CE-CB 4.35Å |
| 575 | T | 69.2 | Low | 60.3 | Low | 60 Ų | 60 | 85.4 Ų | 85.4 | 37% | 0.368 | 45% | 0.446 | S | S | . | . | trans | -62.5 | 163 | 178.1 | 69.4 | 0 | 0 | 0 | 0 | 111.9 | S577 Q578 R579 | T575-S577 PolarHBondContact O-N 3.3Å; T575-S577 PolarHBondContact OG1-OG 3.35Å; T575-Q578 PolarHBondContact O-N 2.91Å; T575-Q578 WeakPolarHBondContact OG1-CB 3.32Å; T575-Q578 VanDerWaalsContact OG1-CG 3.28Å; T575-Q578 WeakPolarHBondContact OG1-CG 3.32Å; T575-Q578 PolarHBondContact OG1-N 2.82Å; T575-R579 PolarHBondContact O-N 2.94Å | ||
| 576 | R | 68 | Low | 62.9 | Low | 170 Ų | 170 | 86.8 Ų | 86.8 | 64% | 0.642 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -58 | -40 | 175 | -168.5 | 180 | -176.2 | 176.1 | 2.7 | 111 | R579 A580 E1788 | R576-R579 PolarHBondContact O-N 3.48Å; R576-A580 PolarHBondContact O-N 2.84Å; R576-E1788 IonicContact CZ-OE1 3.69Å; R576-E1788 IonicContact NE-OE1 3.92Å; R576-E1788 IonicContact NH1-OE1 2.68Å; R576-E1788 PolarHBondContact NH1-OE1 3.3Å |
| 577 | S | 68 | Low | 65.5 | Low | 29 Ų | 29 | 81.3 Ų | 81.3 | 20% | 0.203 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -68 | -38.8 | 176.5 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | T575 R579 A580 L581 | T575-S577 PolarHBondContact O-N 3.3Å; T575-S577 PolarHBondContact OG1-OG 3.35Å; S577-R579 PolarHBondContact O-N 2.93Å; S577-A580 PolarHBondContact O-N 3.15Å; S577-L581 WeakPolarHBondContact O-CB 3.25Å; S577-L581 PolarHBondContact O-N 3.36Å |
| 578 | Q | 73.4 | Confident | 67.9 | Low | 40 Ų | 40 | 75.3 Ų | 75.3 | 19% | 0.187 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 172.9 | -74.7 | 171.1 | -3 | 0 | 0 | 112.4 | M574 T575 L581 I582 H656 | M574-Q578 HydrophobicContact CB-CB 4.22Å; T575-Q578 PolarHBondContact O-N 2.91Å; T575-Q578 WeakPolarHBondContact OG1-CB 3.32Å; T575-Q578 VanDerWaalsContact OG1-CG 3.28Å; T575-Q578 WeakPolarHBondContact OG1-CG 3.32Å; T575-Q578 PolarHBondContact OG1-N 2.82Å; Q578-L581 PolarHBondContact O-N 2.95Å; Q578-I582 WeakPolarHBondContact O-CG1 3.31Å; Q578-I582 PolarHBondContact O-N 2.88Å; Q578-I582 VanDerWaalsContact O-N 3.08Å; Q578-H656 WeakPolarHBondContact CG-CD2 3.49Å; Q578-H656 VanDerWaalsContact CG-NE2 3.29Å; Q578-H656 WeakPolarHBondContact CG-NE2 3.36Å; Q578-H656 PolarHBondContact NE2-NE2 2.89Å |
| 579 | R | 75.8 | Confident | 70.3 | Confident | 129 Ų | 129 | 72 Ų | 72 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 175.6 | -73.8 | -174.2 | -77 | 148.2 | -6.6 | 112.1 | F571 M574 T575 R576 S577 I582 G583 | F571-R579 HydrophobicContact CD1-CG 4.42Å; F571-R579 HydrophobicContact CE1-CG 4.36Å; M574-R579 HydrophobicContact CB-CG 4.1Å; M574-R579 PolarHBondContact O-NE 3.31Å; T575-R579 PolarHBondContact O-N 2.94Å; R576-R579 PolarHBondContact O-N 3.48Å; S577-R579 PolarHBondContact O-N 2.93Å; R579-I582 PolarHBondContact O-N 3.45Å; R579-G583 PolarHBondContact O-N 3.19Å |
| 580 | A | 73.3 | Confident | 72.5 | Confident | 59 Ų | 59 | 71 Ų | 71 | 49% | 0.488 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.2 | -49.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R576 S577 I582 G583 T584 | R576-A580 PolarHBondContact O-N 2.84Å; S577-A580 PolarHBondContact O-N 3.15Å; A580-I582 VanDerWaalsContact C-N 3.32Å; A580-I582 PolarHBondContact O-N 2.93Å; A580-G583 CarbonylContact O-C 3.48Å; A580-G583 WeakPolarHBondContact O-CA 3.45Å; A580-G583 PolarHBondContact O-N 3.4Å; A580-T584 PolarHBondContact O-N 2.9Å; A580-T584 PolarHBondContact O-OG1 2.99Å |
| 581 | L | 79.3 | Confident | 74.2 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.6 | -38.6 | 178.4 | 177.7 | 61 | 0 | 0 | 0 | 113.2 | S577 Q578 G583 T584 I585 H656 V659 I663 | S577-L581 WeakPolarHBondContact O-CB 3.25Å; S577-L581 PolarHBondContact O-N 3.36Å; Q578-L581 PolarHBondContact O-N 2.95Å; L581-G583 VanDerWaalsContact C-N 3.34Å; L581-T584 PolarHBondContact O-N 3.26Å; L581-I585 HydrophobicContact CD1-CD1 4.08Å; L581-I585 HydrophobicContact CD1-CG1 4.24Å; L581-I585 HydrophobicContact CG-CD1 3.98Å; L581-I585 WeakPolarHBondContact O-CB 3.41Å; L581-I585 VanDerWaalsContact O-CG1 3.28Å; L581-I585 WeakPolarHBondContact O-CG1 3.21Å; L581-I585 PolarHBondContact O-N 3.44Å; L581-H656 HydrophobicContact CD2-CB 4.01Å; L581-V659 HydrophobicContact CD1-CG1 4.11Å; L581-V659 HydrophobicContact CD2-CG1 4.2Å; L581-I663 HydrophobicContact CD1-CD1 4.19Å |
| 582 | I | 82.1 | Confident | 76.1 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 173.2 | -69.1 | 167.1 | 0 | 0 | 0 | 110.7 | M574 Q578 R579 A580 I585 E586 P713 | M574-I582 HydrophobicContact CE-CD1 3.97Å; M574-I582 HydrophobicContact SD-CD1 3.73Å; Q578-I582 WeakPolarHBondContact O-CG1 3.31Å; Q578-I582 PolarHBondContact O-N 2.88Å; Q578-I582 VanDerWaalsContact O-N 3.08Å; R579-I582 PolarHBondContact O-N 3.45Å; A580-I582 VanDerWaalsContact C-N 3.32Å; A580-I582 PolarHBondContact O-N 2.93Å; I582-I585 PolarHBondContact O-N 3.46Å; I582-E586 PolarHBondContact O-N 2.95Å; I582-P713 HydrophobicContact CD1-CG 4.24Å; I582-P713 HydrophobicContact CG1-CG 3.98Å |
| 583 | G | 81.8 | Confident | 77.9 | Confident | 34 Ų | 34 | 60 Ų | 60 | 35% | 0.351 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R579 A580 L581 T587 | R579-G583 PolarHBondContact O-N 3.19Å; A580-G583 CarbonylContact O-C 3.48Å; A580-G583 WeakPolarHBondContact O-CA 3.45Å; A580-G583 PolarHBondContact O-N 3.4Å; L581-G583 VanDerWaalsContact C-N 3.34Å; G583-T587 WeakPolarHBondContact O-CB 3.32Å; G583-T587 PolarHBondContact O-N 2.88Å; G583-T587 PolarHBondContact O-OG1 2.87Å |
| 584 | T | 82.2 | Confident | 79.4 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -51.8 | 173.1 | -45.6 | 0 | 0 | 0 | 0 | 110.4 | A580 L581 E586 T587 S588 I663 | A580-T584 PolarHBondContact O-N 2.9Å; A580-T584 PolarHBondContact O-OG1 2.99Å; L581-T584 PolarHBondContact O-N 3.26Å; T584-E586 PolarHBondContact O-N 3.35Å; T584-T587 PolarHBondContact O-N 2.97Å; T584-T587 VanDerWaalsContact O-N 3.1Å; T584-S588 WeakPolarHBondContact O-CB 3.26Å; T584-S588 PolarHBondContact O-N 3.38Å; T584-S588 PolarHBondContact O-OG 2.93Å; T584-I663 HydrophobicContact CG2-CG2 4.43Å |
| 585 | I | 83.4 | Confident | 80.5 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 179.8 | -70.3 | 167.4 | 0 | 0 | 0 | 112 | L581 I582 T587 S588 I589 I663 | L581-I585 HydrophobicContact CD1-CD1 4.08Å; L581-I585 HydrophobicContact CD1-CG1 4.24Å; L581-I585 HydrophobicContact CG-CD1 3.98Å; L581-I585 WeakPolarHBondContact O-CB 3.41Å; L581-I585 VanDerWaalsContact O-CG1 3.28Å; L581-I585 WeakPolarHBondContact O-CG1 3.21Å; L581-I585 PolarHBondContact O-N 3.44Å; I582-I585 PolarHBondContact O-N 3.46Å; I585-T587 VanDerWaalsContact C-N 3.33Å; I585-T587 PolarHBondContact O-N 2.93Å; I585-S588 PolarHBondContact O-N 3.08Å; I585-I589 HydrophobicContact CG2-CD1 3.83Å; I585-I589 HydrophobicContact CG2-CG1 4.49Å; I585-I589 WeakPolarHBondContact O-CG1 3.26Å; I585-I589 PolarHBondContact O-N 2.93Å; I585-I663 HydrophobicContact CD1-CD1 4.16Å; I585-I663 HydrophobicContact CG1-CD1 3.86Å; I585-I663 HydrophobicContact CG1-CG2 4.41Å |
| 586 | E | 84.8 | Confident | 81.3 | Confident | 97 Ų | 97 | 57.7 Ų | 57.7 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.2 | -36.6 | 176.8 | -75.7 | -169 | -167.4 | 0 | 0 | 112.6 | I582 T584 R590 | I582-E586 PolarHBondContact O-N 2.95Å; T584-E586 PolarHBondContact O-N 3.35Å; E586-R590 VanDerWaalsContact O-CG 3.31Å; E586-R590 WeakPolarHBondContact O-CG 3.4Å; E586-R590 PolarHBondContact O-N 2.88Å; E586-R590 IonicContact OE2-NH2 2.64Å; E586-R590 PolarHBondContact OE2-NH2 2.85Å; E586-R590 VanDerWaalsContact OE2-NH2 3.16Å |
| 587 | T | 83.7 | Confident | 82.1 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.1 | -40.7 | 176 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | G583 T584 I585 R590 S591 | G583-T587 WeakPolarHBondContact O-CB 3.32Å; G583-T587 PolarHBondContact O-N 2.88Å; G583-T587 PolarHBondContact O-OG1 2.87Å; T584-T587 PolarHBondContact O-N 2.97Å; T584-T587 VanDerWaalsContact O-N 3.1Å; I585-T587 VanDerWaalsContact C-N 3.33Å; I585-T587 PolarHBondContact O-N 2.93Å; T587-R590 PolarHBondContact O-N 3.08Å; T587-S591 PolarHBondContact O-N 3.37Å |
| 588 | S | 84.7 | Confident | 82.8 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.028 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -48.8 | 176.3 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | T584 I585 R590 S591 V592 I663 S667 | T584-S588 WeakPolarHBondContact O-CB 3.26Å; T584-S588 PolarHBondContact O-N 3.38Å; T584-S588 PolarHBondContact O-OG 2.93Å; I585-S588 PolarHBondContact O-N 3.08Å; S588-R590 VanDerWaalsContact C-N 3.3Å; S588-R590 PolarHBondContact O-N 2.75Å; S588-S591 WeakPolarHBondContact O-CA 3.35Å; S588-S591 VanDerWaalsContact O-CB 3.25Å; S588-S591 WeakPolarHBondContact O-CB 3.35Å; S588-S591 PolarHBondContact O-N 3Å; S588-V592 WeakPolarHBondContact O-CG2 3.46Å; S588-V592 PolarHBondContact O-N 2.86Å; S588-I663 WeakPolarHBondContact OG-CG2 3.5Å; S588-S667 VanDerWaalsContact CA-OG 3.29Å; S588-S667 WeakPolarHBondContact CA-OG 3.37Å; S588-S667 WeakPolarHBondContact CB-OG 3.32Å; S588-S667 VanDerWaalsContact OG-CB 3.29Å; S588-S667 WeakPolarHBondContact OG-CB 3.29Å; S588-S667 PolarHBondContact OG-OG 3.12Å |
| 589 | I | 86.5 | Confident | 83.3 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 18% | 0.179 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.7 | -44.6 | 177.4 | -70.8 | 167.7 | 0 | 0 | 0 | 110.7 | I585 S591 V592 E593 T705 L708 | I585-I589 HydrophobicContact CG2-CD1 3.83Å; I585-I589 HydrophobicContact CG2-CG1 4.49Å; I585-I589 WeakPolarHBondContact O-CG1 3.26Å; I585-I589 PolarHBondContact O-N 2.93Å; I589-S591 VanDerWaalsContact C-N 3.27Å; I589-S591 PolarHBondContact O-N 2.87Å; I589-V592 PolarHBondContact O-N 2.82Å; I589-V592 VanDerWaalsContact O-N 3.17Å; I589-E593 HydrophobicContact CG2-CG 4.33Å; I589-E593 WeakPolarHBondContact O-CG 3.09Å; I589-E593 PolarHBondContact O-N 3.08Å; I589-T705 HydrophobicContact CG2-CG2 4.24Å; I589-L708 HydrophobicContact CD1-CB 4.34Å; I589-L708 HydrophobicContact CG1-CB 4.09Å; I589-L708 HydrophobicContact CG1-CD1 4.2Å |
| 590 | R | 87.1 | Confident | 83.5 | Confident | 132 Ų | 132 | 55.8 Ų | 55.8 | 50% | 0.498 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.7 | -29.9 | 175.6 | -68 | 174.6 | -161.3 | 164.3 | 13.6 | 113.3 | E586 T587 S588 R594 | E586-R590 VanDerWaalsContact O-CG 3.31Å; E586-R590 WeakPolarHBondContact O-CG 3.4Å; E586-R590 PolarHBondContact O-N 2.88Å; E586-R590 IonicContact OE2-NH2 2.64Å; E586-R590 PolarHBondContact OE2-NH2 2.85Å; E586-R590 VanDerWaalsContact OE2-NH2 3.16Å; T587-R590 PolarHBondContact O-N 3.08Å; S588-R590 VanDerWaalsContact C-N 3.3Å; S588-R590 PolarHBondContact O-N 2.75Å; R590-R594 VanDerWaalsContact O-CG 3.28Å; R590-R594 WeakPolarHBondContact O-CG 3.24Å; R590-R594 PolarHBondContact O-N 2.96Å |
| 591 | S | 84.7 | Confident | 83.7 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 20% | 0.203 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.8 | -46 | 172.6 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | T587 S588 I589 R594 A595 | T587-S591 PolarHBondContact O-N 3.37Å; S588-S591 WeakPolarHBondContact O-CA 3.35Å; S588-S591 VanDerWaalsContact O-CB 3.25Å; S588-S591 WeakPolarHBondContact O-CB 3.35Å; S588-S591 PolarHBondContact O-N 3Å; I589-S591 VanDerWaalsContact C-N 3.27Å; I589-S591 PolarHBondContact O-N 2.87Å; S591-R594 PolarHBondContact O-N 2.66Å; S591-A595 PolarHBondContact O-N 2.8Å |
| 592 | V | 85.6 | Confident | 83 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.2 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | S588 I589 R594 A595 E596 I670 C701 I704 T705 | S588-V592 WeakPolarHBondContact O-CG2 3.46Å; S588-V592 PolarHBondContact O-N 2.86Å; I589-V592 PolarHBondContact O-N 2.82Å; I589-V592 VanDerWaalsContact O-N 3.17Å; V592-R594 PolarHBondContact O-N 2.71Å; V592-A595 PolarHBondContact O-N 2.75Å; V592-E596 PolarHBondContact O-N 3.12Å; V592-I670 HydrophobicContact CG1-CD1 4.44Å; V592-I670 HydrophobicContact CG2-CD1 3.54Å; V592-C701 HydrophobicContact CG1-CB 3.77Å; V592-C701 WeakPolarHBondContact CG1-O 3.45Å; V592-I704 HydrophobicContact CG2-CG2 4.34Å; V592-T705 WeakPolarHBondContact CG1-OG1 3.2Å |
| 593 | E | 86.6 | Confident | 82.4 | Confident | 109 Ų | 109 | 66 Ų | 66 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 177.2 | -73 | 174.9 | 156.9 | 0 | 0 | 112.2 | I589 E596 E597 | I589-E593 HydrophobicContact CG2-CG 4.33Å; I589-E593 WeakPolarHBondContact O-CG 3.09Å; I589-E593 PolarHBondContact O-N 3.08Å; E593-E596 PolarHBondContact O-N 3.32Å; E593-E597 PolarHBondContact O-N 3.42Å; E593-E597 VanDerWaalsContact O-N 3.09Å |
| 594 | R | 86.1 | Confident | 81.5 | Confident | 169 Ų | 169 | 73.4 Ų | 73.4 | 64% | 0.638 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 173.7 | -73.2 | 173 | -172.5 | 167.2 | 2.1 | 112 | R590 S591 V592 E597 D598 | R590-R594 VanDerWaalsContact O-CG 3.28Å; R590-R594 WeakPolarHBondContact O-CG 3.24Å; R590-R594 PolarHBondContact O-N 2.96Å; S591-R594 PolarHBondContact O-N 2.66Å; V592-R594 PolarHBondContact O-N 2.71Å; R594-E597 PolarHBondContact O-N 3.06Å; R594-E597 VanDerWaalsContact O-N 3.16Å; R594-D598 PolarHBondContact O-N 3.27Å |
| 595 | A | 83.9 | Confident | 80.6 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65 | -38.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S591 V592 E597 D598 L599 I670 T674 | S591-A595 PolarHBondContact O-N 2.8Å; V592-A595 PolarHBondContact O-N 2.75Å; A595-E597 VanDerWaalsContact C-N 3.29Å; A595-E597 PolarHBondContact O-N 3.48Å; A595-D598 PolarHBondContact O-N 3.36Å; A595-L599 WeakPolarHBondContact O-CG 3.39Å; A595-L599 PolarHBondContact O-N 3.26Å; A595-I670 HydrophobicContact CB-CG2 3.53Å; A595-T674 HydrophobicContact CB-CG2 4.04Å |
| 596 | E | 85.7 | Confident | 79.6 | Confident | 32 Ų | 32 | 79.4 Ų | 79.4 | 15% | 0.15 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.2 | -33.2 | 172.4 | -162.5 | -167.3 | 144.1 | 0 | 0 | 112.1 | V592 E593 R698 C701 R702 | V592-E596 PolarHBondContact O-N 3.12Å; E593-E596 PolarHBondContact O-N 3.32Å; E596-R698 HydrophobicContact CG-CB 4.45Å; E596-R698 HydrophobicContact CG-CG 4.16Å; E596-C701 HydrophobicContact CB-CB 4.42Å; E596-R702 IonicContact OE1-CZ 3.22Å; E596-R702 VanDerWaalsContact OE1-CZ 3.22Å; E596-R702 IonicContact OE1-NE 2.66Å; E596-R702 PolarHBondContact OE1-NE 2.95Å; E596-R702 IonicContact OE1-NH2 2.69Å; E596-R702 PolarHBondContact OE1-NH2 2.91Å; E596-R702 VanDerWaalsContact OE2-CG 3.32Å; E596-R702 WeakPolarHBondContact OE2-CG 3.4Å; E596-R702 IonicContact OE2-NE 2.72Å; E596-R702 PolarHBondContact OE2-NE 3.33Å |
| 597 | E | 85.1 | Confident | 78.3 | Confident | 118 Ų | 118 | 82 Ų | 82 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72 | -42.8 | 174 | -171.3 | 165.5 | -146.5 | 0 | 0 | 112.6 | E593 R594 A595 L599 K600 | E593-E597 PolarHBondContact O-N 3.42Å; E593-E597 VanDerWaalsContact O-N 3.09Å; R594-E597 PolarHBondContact O-N 3.06Å; R594-E597 VanDerWaalsContact O-N 3.16Å; A595-E597 VanDerWaalsContact C-N 3.29Å; A595-E597 PolarHBondContact O-N 3.48Å; E597-L599 VanDerWaalsContact C-N 3.33Å; E597-L599 PolarHBondContact O-N 2.88Å; E597-K600 VanDerWaalsContact O-CB 3.3Å; E597-K600 WeakPolarHBondContact O-CB 3.49Å; E597-K600 PolarHBondContact O-N 3.38Å; E597-K600 VanDerWaalsContact O-N 3.08Å |
| 598 | D | 83 | Confident | 77.3 | Confident | 71 Ų | 71 | 81.2 Ų | 81.2 | 38% | 0.38 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.7 | -26.3 | 178.4 | -83 | -29.4 | 0 | 0 | 0 | 113.6 | R594 A595 K600 K601 K678 | R594-D598 PolarHBondContact O-N 3.27Å; A595-D598 PolarHBondContact O-N 3.36Å; D598-K600 PolarHBondContact O-N 3.44Å; D598-K601 PolarHBondContact O-N 3.15Å; D598-K601 VanDerWaalsContact O-N 3.17Å; D598-K601 IonicContact OD1-NZ 2.88Å; D598-K601 PolarHBondContact OD1-NZ 2.93Å; D598-K678 PolarHBondContact O-NZ 2.98Å |
| 599 | L | 83.1 | Confident | 76.3 | Confident | 7 Ų | 7 | 81.7 Ų | 81.7 | 4% | 0.037 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.8 | 168.3 | -78 | 174.2 | 0 | 0 | 0 | 113.7 | A595 E597 K601 T674 V677 K678 L694 T697 R698 | A595-L599 WeakPolarHBondContact O-CG 3.39Å; A595-L599 PolarHBondContact O-N 3.26Å; E597-L599 VanDerWaalsContact C-N 3.33Å; E597-L599 PolarHBondContact O-N 2.88Å; L599-K601 VanDerWaalsContact C-N 3.31Å; L599-T674 HydrophobicContact CD1-CG2 3.75Å; L599-T674 HydrophobicContact CD2-CG2 3.88Å; L599-T674 HydrophobicContact CG-CG2 3.76Å; L599-V677 HydrophobicContact CD2-CG1 4.39Å; L599-K678 HydrophobicContact CD2-CD 4.32Å; L599-K678 HydrophobicContact CD2-CG 4Å; L599-L694 HydrophobicContact CD2-CD2 3.89Å; L599-T697 HydrophobicContact CD1-CG2 3.84Å; L599-T697 HydrophobicContact CD2-CG2 4.39Å; L599-R698 HydrophobicContact CB-CG 4.21Å; L599-R698 HydrophobicContact CD1-CG 3.82Å |
| 600 | K | 80.8 | Confident | 75.2 | Confident | 131 Ų | 131 | 87.6 Ų | 87.6 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -13.7 | 176.8 | -58.1 | 170.3 | -170.9 | 163.8 | 0 | 113.2 | E597 D598 | E597-K600 VanDerWaalsContact O-CB 3.3Å; E597-K600 WeakPolarHBondContact O-CB 3.49Å; E597-K600 PolarHBondContact O-N 3.38Å; E597-K600 VanDerWaalsContact O-N 3.08Å; D598-K600 PolarHBondContact O-N 3.44Å |
| 601 | K | 76.6 | Confident | 74.3 | Confident | 122 Ų | 122 | 81.8 Ų | 81.8 | 53% | 0.53 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -99.2 | 121.3 | 178.5 | -57.3 | 167.3 | -170 | 156.4 | 0 | 108.9 | D598 L599 K678 | D598-K601 PolarHBondContact O-N 3.15Å; D598-K601 VanDerWaalsContact O-N 3.17Å; D598-K601 IonicContact OD1-NZ 2.88Å; D598-K601 PolarHBondContact OD1-NZ 2.93Å; L599-K601 VanDerWaalsContact C-N 3.31Å; K601-K678 WeakPolarHBondContact O-CE 3.43Å; K601-K678 PolarHBondContact O-NZ 3.37Å |
| 602 | K | 65.9 | Low | 73.3 | Confident | 134 Ų | 134 | 82.6 Ų | 82.6 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 159 | 169 | -73.1 | -169.7 | 173.8 | -174.5 | 0 | 110.4 | E687 | K602-E687 IonicContact NZ-OE1 3.81Å; K602-E687 PolarHBondContact NZ-OE1 3.41Å |
| 603 | V | 68.8 | Low | 72.3 | Confident | 48 Ų | 48 | 84.1 Ų | 84.1 | 29% | 0.291 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 130.5 | 171 | 169.9 | 0 | 0 | 0 | 0 | 108.3 | F605 K678 A682 | V603-F605 HydrophobicContact CG1-CD1 4.3Å; V603-F605 HydrophobicContact CG1-CE1 4.05Å; V603-F605 HydrophobicContact CG1-CE2 4.33Å; V603-F605 HydrophobicContact CG1-CZ 4.07Å; V603-K678 HydrophobicContact CG2-CB 3.77Å; V603-A682 HydrophobicContact CB-CB 4.35Å |
| 604 | E | 63.1 | Low | 71.4 | Confident | 189 Ų | 189 | 79.5 Ų | 79.5 | 88% | 0.883 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -95.7 | 117.9 | 171.7 | -67.3 | 174.2 | -179.5 | 0 | 0 | 108.1 | ||
| 605 | F | 64.5 | Low | 70.8 | Confident | 67 Ų | 67 | 76.8 Ų | 76.8 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 152.1 | 169.9 | -65.6 | -69.9 | 0 | 0 | 0 | 110.1 | V603 T679 A682 L683 | V603-F605 HydrophobicContact CG1-CD1 4.3Å; V603-F605 HydrophobicContact CG1-CE1 4.05Å; V603-F605 HydrophobicContact CG1-CE2 4.33Å; V603-F605 HydrophobicContact CG1-CZ 4.07Å; F605-T679 HydrophobicContact CE1-CG2 4.27Å; F605-T679 HydrophobicContact CZ-CG2 3.79Å; F605-A682 HydrophobicContact CD2-CB 4.24Å; F605-A682 HydrophobicContact CE2-CB 3.55Å; F605-A682 HydrophobicContact CZ-CB 4.4Å; F605-L683 HydrophobicContact CD2-CD2 4.17Å; F605-L683 HydrophobicContact CE1-CD2 4.49Å; F605-L683 HydrophobicContact CE2-CD2 3.53Å; F605-L683 HydrophobicContact CE2-CG 3.83Å; F605-L683 HydrophobicContact CZ-CD1 4.41Å; F605-L683 HydrophobicContact CZ-CD2 3.73Å; F605-L683 HydrophobicContact CZ-CG 3.83Å |
| 606 | P | 61.7 | Low | 70.1 | Confident | 88 Ų | 88 | 81.5 Ų | 81.5 | 57% | 0.571 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 147.1 | 159.1 | -17.3 | 30.8 | 0 | 0 | 0 | 109.8 | L608 | P606-L608 PolarHBondContact O-N 2.87Š|
| 607 | E | 57.9 | Low | 69.5 | Low | 151 Ų | 151 | 83.4 Ų | 83.4 | 71% | 0.706 | 41% | 0.41 | S | S | * | . | trans | -58 | 101.7 | 176.9 | -74.8 | -177.4 | 177.7 | 0 | 0 | 111.6 | R1158 | E607-R1158 PolarHBondContact O-NH1 2.96Å; E607-R1158 IonicContact OE2-CZ 3.19Å; E607-R1158 IonicContact OE2-NH1 2.65Å; E607-R1158 PolarHBondContact OE2-NH1 2.86Å; E607-R1158 IonicContact OE2-NH2 3.95Å; E607-R1158 PolarHBondContact OE2-NH2 3.13Å; E607-R1158 VanDerWaalsContact OE2-NH2 3.09Å | ||
| 608 | L | 61.6 | Low | 69.1 | Low | 64 Ų | 64 | 80.5 Ų | 80.5 | 34% | 0.335 | 40% | 0.396 | S | S | . | . | trans | -63.6 | 142.5 | 175.3 | -62.3 | 170.3 | 0 | 0 | 0 | 110.5 | P606 W617 L683 | P606-L608 PolarHBondContact O-N 2.87Å; L608-W617 HydrophobicContact CD1-CZ3 4.2Å; L608-W617 HydrophobicContact CD2-CE3 4.07Å; L608-W617 HydrophobicContact CD2-CZ3 3.91Å; L608-L683 HydrophobicContact CD1-CD2 4.42Å | ||
| 609 | G | 63.2 | Low | 68.7 | Low | 15 Ų | 15 | 82.5 Ų | 82.5 | 16% | 0.155 | 40% | 0.403 | C | S | . | . | trans | -77.5 | 165.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D611 S614 | G609-D611 VanDerWaalsContact C-N 3.26Å; G609-S614 WeakPolarHBondContact O-CB 3.25Å | ||
| 610 | E | 64.6 | Low | 68.3 | Low | 159 Ų | 159 | 84 Ų | 84 | 74% | 0.743 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -83.9 | 0.3 | 170.3 | -65.6 | -164 | 161.4 | 0 | 0 | 113.4 | K615 | E610-K615 WeakPolarHBondContact O-CE 3.26Å; E610-K615 PolarHBondContact O-NZ 3.2Å; E610-K615 VanDerWaalsContact O-NZ 3.09Å |
| 611 | D | 67 | Low | 68.2 | Low | 9 Ų | 9 | 80 Ų | 80 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -64.8 | 148.4 | -178.9 | 67.5 | -58.9 | 0 | 0 | 0 | 112.2 | G609 A613 S614 K615 R1217 | G609-D611 VanDerWaalsContact C-N 3.26Å; D611-A613 PolarHBondContact O-N 3.37Å; D611-A613 VanDerWaalsContact O-N 3.08Å; D611-S614 PolarHBondContact O-N 3.13Å; D611-S614 WeakPolarHBondContact OD1-CB 3.37Å; D611-S614 PolarHBondContact OD1-OG 2.91Å; D611-K615 PolarHBondContact O-N 2.76Å; D611-K615 VanDerWaalsContact O-N 3.12Å; D611-R1217 IonicContact OD2-CZ 2.8Å; D611-R1217 IonicContact OD2-NE 2.85Å; D611-R1217 IonicContact OD2-NH2 3.15Å; D611-R1217 PolarHBondContact OD2-NH2 3.29Å |
| 612 | A | 65.4 | Low | 68.5 | Low | 47 Ų | 47 | 76.5 Ų | 76.5 | 39% | 0.388 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -55.1 | -34.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113 | K615 K616 | A612-K615 PolarHBondContact O-N 3.24Å; A612-K616 WeakPolarHBondContact O-CG 3.23Å; A612-K616 PolarHBondContact O-N 3.29Å |
| 613 | A | 64.2 | Low | 69.1 | Low | 31 Ų | 31 | 72.1 Ų | 72.1 | 26% | 0.256 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.3 | -32.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D611 K615 W617 | D611-A613 PolarHBondContact O-N 3.37Å; D611-A613 VanDerWaalsContact O-N 3.08Å; A613-K615 VanDerWaalsContact C-N 3.32Å; A613-W617 VanDerWaalsContact O-CB 3.28Å; A613-W617 WeakPolarHBondContact O-CB 3.44Å; A613-W617 PolarHBondContact O-N 3.5Å |
| 614 | S | 68.2 | Low | 69.8 | Low | 13 Ų | 13 | 70 Ų | 70 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.3 | -33.7 | 170.7 | -67.8 | 0 | 0 | 0 | 0 | 111.5 | G609 D611 K618 | G609-S614 WeakPolarHBondContact O-CB 3.25Å; D611-S614 PolarHBondContact O-N 3.13Å; D611-S614 WeakPolarHBondContact OD1-CB 3.37Å; D611-S614 PolarHBondContact OD1-OG 2.91Å; S614-K618 WeakPolarHBondContact O-CB 3.42Å; S614-K618 PolarHBondContact O-N 3.3Å |
| 615 | K | 72.2 | Confident | 70.8 | Confident | 111 Ų | 111 | 62.9 Ų | 62.9 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.1 | -52 | 172.1 | -68.3 | 175 | 179.4 | 158.7 | 0 | 111.9 | E610 D611 A612 A613 W617 K618 E619 | E610-K615 WeakPolarHBondContact O-CE 3.26Å; E610-K615 PolarHBondContact O-NZ 3.2Å; E610-K615 VanDerWaalsContact O-NZ 3.09Å; D611-K615 PolarHBondContact O-N 2.76Å; D611-K615 VanDerWaalsContact O-N 3.12Å; A612-K615 PolarHBondContact O-N 3.24Å; A613-K615 VanDerWaalsContact C-N 3.32Å; K615-W617 PolarHBondContact O-N 3Å; K615-K618 WeakPolarHBondContact O-CB 3.17Å; K615-K618 PolarHBondContact O-N 3.01Å; K615-E619 WeakPolarHBondContact O-CG 3.39Å; K615-E619 PolarHBondContact O-N 2.92Å |
| 616 | K | 70 | Confident | 71.7 | Confident | 105 Ų | 105 | 61.8 Ų | 61.8 | 46% | 0.457 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -52.6 | -42.8 | 171.9 | -73.6 | -178.7 | -179.8 | -178.1 | 0 | 110.9 | A612 E619 S620 E1144 | A612-K616 WeakPolarHBondContact O-CG 3.23Å; A612-K616 PolarHBondContact O-N 3.29Å; K616-E619 PolarHBondContact O-N 3.38Å; K616-S620 WeakPolarHBondContact O-CB 3.31Å; K616-S620 PolarHBondContact O-N 3.44Å; K616-S620 PolarHBondContact O-OG 3.4Å; K616-E1144 IonicContact NZ-OE1 3.13Å; K616-E1144 PolarHBondContact NZ-OE1 2.99Å |
| 617 | W | 73.6 | Confident | 72.6 | Confident | 71 Ų | 71 | 59.1 Ų | 59.1 | 27% | 0.269 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 176.1 | -174.6 | 93.7 | 0 | 0 | 0 | 113.3 | L608 A613 K615 E619 Q621 P1161 | L608-W617 HydrophobicContact CD1-CZ3 4.2Å; L608-W617 HydrophobicContact CD2-CE3 4.07Å; L608-W617 HydrophobicContact CD2-CZ3 3.91Å; A613-W617 VanDerWaalsContact O-CB 3.28Å; A613-W617 WeakPolarHBondContact O-CB 3.44Å; A613-W617 PolarHBondContact O-N 3.5Å; K615-W617 PolarHBondContact O-N 3Å; W617-E619 VanDerWaalsContact C-N 3.34Å; W617-Q621 HydrophobicContact CD2-CG 3.93Å; W617-Q621 HydrophobicContact CE3-CG 4.23Å; W617-Q621 HydrophobicContact CH2-CG 4.04Å; W617-Q621 HydrophobicContact CZ2-CG 3.72Å; W617-Q621 HydrophobicContact CZ3-CG 4.28Å; W617-Q621 VanDerWaalsContact O-CB 3.28Å; W617-Q621 WeakPolarHBondContact O-CB 3.24Å; W617-Q621 WeakPolarHBondContact O-CG 3.17Å; W617-Q621 PolarHBondContact O-N 2.9Å; W617-P1161 HydrophobicContact CH2-CG 4.4Å; W617-P1161 HydrophobicContact CZ2-CG 4.23Å |
| 618 | K | 75 | Confident | 73.8 | Confident | 58 Ų | 58 | 53.1 Ų | 53.1 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 174.7 | -178 | -171.2 | 177.3 | -170.5 | 0 | 110.9 | S614 K615 M622 L683 E685 | S614-K618 WeakPolarHBondContact O-CB 3.42Å; S614-K618 PolarHBondContact O-N 3.3Å; K615-K618 WeakPolarHBondContact O-CB 3.17Å; K615-K618 PolarHBondContact O-N 3.01Å; K618-M622 VanDerWaalsContact O-CB 3.25Å; K618-M622 WeakPolarHBondContact O-CB 3.39Å; K618-M622 PolarHBondContact O-N 3.15Å; K618-L683 WeakPolarHBondContact CE-O 3.26Å; K618-L683 HydrophobicContact CG-CD2 4.33Å; K618-E685 IonicContact NZ-OE1 2.69Å; K618-E685 PolarHBondContact NZ-OE1 3.03Å |
| 619 | E | 76.2 | Confident | 74.9 | Confident | 112 Ų | 112 | 50.1 Ų | 50.1 | 52% | 0.523 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.2 | -54.2 | 178 | -70.3 | 167.4 | 172.7 | 0 | 0 | 111.3 | K615 K616 W617 Q621 M622 D623 | K615-E619 WeakPolarHBondContact O-CG 3.39Å; K615-E619 PolarHBondContact O-N 2.92Å; K616-E619 PolarHBondContact O-N 3.38Å; W617-E619 VanDerWaalsContact C-N 3.34Å; E619-Q621 VanDerWaalsContact C-N 3.35Å; E619-Q621 PolarHBondContact O-N 3.19Å; E619-M622 WeakPolarHBondContact O-CB 3.49Å; E619-M622 PolarHBondContact O-N 2.98Å; E619-M622 VanDerWaalsContact O-N 3.08Å; E619-D623 PolarHBondContact O-N 2.98Å |
| 620 | S | 74.8 | Confident | 75.8 | Confident | 40 Ų | 40 | 51.4 Ų | 51.4 | 28% | 0.28 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 178.2 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | K616 D623 V624 | K616-S620 WeakPolarHBondContact O-CB 3.31Å; K616-S620 PolarHBondContact O-N 3.44Å; K616-S620 PolarHBondContact O-OG 3.4Å; S620-D623 PolarHBondContact O-N 3.27Å; S620-V624 WeakPolarHBondContact O-CB 3.34Å; S620-V624 VanDerWaalsContact O-CG2 3.24Å; S620-V624 WeakPolarHBondContact O-CG2 3.08Å; S620-V624 PolarHBondContact O-N 3.21Å |
| 621 | Q | 78.7 | Confident | 76.7 | Confident | 45 Ų | 45 | 44.7 Ų | 44.7 | 21% | 0.21 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.7 | -40.5 | 174.4 | -79.4 | -62.5 | -33.5 | 0 | 0 | 112.1 | W617 E619 D623 Q625 L683 | W617-Q621 HydrophobicContact CD2-CG 3.93Å; W617-Q621 HydrophobicContact CE3-CG 4.23Å; W617-Q621 HydrophobicContact CH2-CG 4.04Å; W617-Q621 HydrophobicContact CZ2-CG 3.72Å; W617-Q621 HydrophobicContact CZ3-CG 4.28Å; W617-Q621 VanDerWaalsContact O-CB 3.28Å; W617-Q621 WeakPolarHBondContact O-CB 3.24Å; W617-Q621 WeakPolarHBondContact O-CG 3.17Å; W617-Q621 PolarHBondContact O-N 2.9Å; E619-Q621 VanDerWaalsContact C-N 3.35Å; E619-Q621 PolarHBondContact O-N 3.19Å; Q621-D623 VanDerWaalsContact C-N 3.32Å; Q621-D623 PolarHBondContact O-N 2.96Å; Q621-Q625 WeakPolarHBondContact O-CB 3.28Å; Q621-Q625 WeakPolarHBondContact O-CG 3.29Å; Q621-Q625 PolarHBondContact O-N 3.04Å; Q621-L683 HydrophobicContact CB-CD1 4.13Å |
| 622 | M | 81.1 | Confident | 77.6 | Confident | 49 Ų | 49 | 44.5 Ų | 44.5 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 175.9 | -179.8 | 176.1 | 57.7 | 0 | 0 | 110.7 | K618 E619 Q625 K626 | K618-M622 VanDerWaalsContact O-CB 3.25Å; K618-M622 WeakPolarHBondContact O-CB 3.39Å; K618-M622 PolarHBondContact O-N 3.15Å; E619-M622 WeakPolarHBondContact O-CB 3.49Å; E619-M622 PolarHBondContact O-N 2.98Å; E619-M622 VanDerWaalsContact O-N 3.08Å; M622-Q625 PolarHBondContact O-N 3.45Å; M622-K626 HydrophobicContact CG-CD 4.21Å; M622-K626 HydrophobicContact CG-CG 4.37Å; M622-K626 WeakPolarHBondContact O-CB 3.37Å; M622-K626 WeakPolarHBondContact O-CG 3.48Å; M622-K626 PolarHBondContact O-N 2.98Å |
| 623 | D | 80.2 | Confident | 78.5 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.1 | -37.5 | -177.3 | -71.7 | -14.5 | 0 | 0 | 0 | 113.3 | E619 S620 Q621 K626 Q627 K1052 | E619-D623 PolarHBondContact O-N 2.98Å; S620-D623 PolarHBondContact O-N 3.27Å; Q621-D623 VanDerWaalsContact C-N 3.32Å; Q621-D623 PolarHBondContact O-N 2.96Å; D623-K626 PolarHBondContact O-N 2.89Å; D623-K626 IonicContact OD1-NZ 2.72Å; D623-K626 PolarHBondContact OD1-NZ 3.06Å; D623-Q627 PolarHBondContact O-N 3.22Å; D623-K1052 HydrophobicContact CB-CG 4.47Å |
| 624 | V | 82.2 | Confident | 79.4 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | 170 | 166.4 | 0 | 0 | 0 | 0 | 111.2 | S620 S628 N1045 I1048 | S620-V624 WeakPolarHBondContact O-CB 3.34Å; S620-V624 VanDerWaalsContact O-CG2 3.24Å; S620-V624 WeakPolarHBondContact O-CG2 3.08Å; S620-V624 PolarHBondContact O-N 3.21Å; V624-S628 WeakPolarHBondContact O-CB 3.29Å; V624-S628 PolarHBondContact O-N 3.48Å; V624-N1045 HydrophobicContact CG1-CB 4.46Å; V624-N1045 VanDerWaalsContact CG1-OD1 3.25Å; V624-N1045 WeakPolarHBondContact CG1-OD1 3.3Å; V624-N1045 HydrophobicContact CG2-CB 4.17Å; V624-I1048 HydrophobicContact CG2-CB 4.41Å; V624-I1048 HydrophobicContact CG2-CG2 4.28Å |
| 625 | Q | 84.7 | Confident | 80.1 | Confident | 38 Ų | 38 | 41.3 Ų | 41.3 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.4 | -36.9 | 178.6 | -62.5 | -52.2 | -49.8 | 0 | 0 | 112.1 | Q621 M622 V629 T679 I680 | Q621-Q625 WeakPolarHBondContact O-CB 3.28Å; Q621-Q625 WeakPolarHBondContact O-CG 3.29Å; Q621-Q625 PolarHBondContact O-N 3.04Å; M622-Q625 PolarHBondContact O-N 3.45Å; Q625-V629 WeakPolarHBondContact O-CB 3.37Å; Q625-V629 VanDerWaalsContact O-CG2 3.25Å; Q625-V629 WeakPolarHBondContact O-CG2 3.47Å; Q625-V629 PolarHBondContact O-N 2.96Å; Q625-T679 HydrophobicContact CG-CG2 3.89Å; Q625-I680 HydrophobicContact CB-CD1 4.12Å; Q625-I680 HydrophobicContact CB-CG1 3.74Å |
| 626 | K | 83.4 | Confident | 80.8 | Confident | 44 Ų | 44 | 36.1 Ų | 36.1 | 19% | 0.191 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.9 | -55.3 | 173.3 | -79.1 | 173.8 | -177.5 | 163.4 | 0 | 110.9 | M622 D623 S628 V629 T630 I680 I740 | M622-K626 HydrophobicContact CG-CD 4.21Å; M622-K626 HydrophobicContact CG-CG 4.37Å; M622-K626 WeakPolarHBondContact O-CB 3.37Å; M622-K626 WeakPolarHBondContact O-CG 3.48Å; M622-K626 PolarHBondContact O-N 2.98Å; D623-K626 PolarHBondContact O-N 2.89Å; D623-K626 IonicContact OD1-NZ 2.72Å; D623-K626 PolarHBondContact OD1-NZ 3.06Å; K626-S628 VanDerWaalsContact C-N 3.34Å; K626-S628 PolarHBondContact O-N 3.35Å; K626-V629 PolarHBondContact O-N 3.19Å; K626-T630 PolarHBondContact O-N 3.08Å; K626-T630 PolarHBondContact O-OG1 2.94Å; K626-I680 HydrophobicContact CG-CD1 4.45Å; K626-I740 HydrophobicContact CB-CG2 4.31Å; K626-I740 HydrophobicContact CD-CG2 4.46Å; K626-I740 HydrophobicContact CG-CG2 3.7Å |
| 627 | Q | 80.3 | Confident | 81.5 | Confident | 33 Ų | 33 | 31.4 Ų | 31.4 | 15% | 0.154 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | -179.8 | -173.9 | 61.9 | 47 | 0 | 0 | 110.6 | D623 V629 T630 D631 I1048 | D623-Q627 PolarHBondContact O-N 3.22Å; Q627-V629 VanDerWaalsContact C-N 3.34Å; Q627-V629 PolarHBondContact O-N 2.96Å; Q627-T630 PolarHBondContact O-N 2.75Å; Q627-T630 VanDerWaalsContact O-N 3.15Å; Q627-D631 PolarHBondContact NE2-OD1 3.48Å; Q627-D631 VanDerWaalsContact O-CG 3.24Å; Q627-D631 PolarHBondContact O-N 3Å; Q627-I1048 HydrophobicContact CB-CD1 4.44Å; Q627-I1048 HydrophobicContact CB-CG2 3.8Å; Q627-I1048 HydrophobicContact CG-CD1 4.26Å; Q627-I1048 HydrophobicContact CG-CG1 4.3Å; Q627-I1048 HydrophobicContact CG-CG2 4.09Å |
| 628 | S | 82.8 | Confident | 82.1 | Confident | 24 Ų | 24 | 28.5 Ų | 28.5 | 17% | 0.168 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 177.4 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | V624 K626 D631 H632 | V624-S628 WeakPolarHBondContact O-CB 3.29Å; V624-S628 PolarHBondContact O-N 3.48Å; K626-S628 VanDerWaalsContact C-N 3.34Å; K626-S628 PolarHBondContact O-N 3.35Å; S628-D631 PolarHBondContact O-N 2.96Å; S628-H632 PolarHBondContact O-N 3.41Å; S628-H632 PolarHBondContact O-ND1 3.33Å; S628-H632 PolarHBondContact OG-CE1 3.3Å; S628-H632 VanDerWaalsContact OG-CE1 3.28Å; S628-H632 PolarHBondContact OG-ND1 3.41Å |
| 629 | V | 85.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 177.5 | 167.5 | 0 | 0 | 0 | 0 | 111.6 | Q625 K626 Q627 H632 L633 M673 V677 I680 M736 I740 | Q625-V629 WeakPolarHBondContact O-CB 3.37Å; Q625-V629 VanDerWaalsContact O-CG2 3.25Å; Q625-V629 WeakPolarHBondContact O-CG2 3.47Å; Q625-V629 PolarHBondContact O-N 2.96Å; K626-V629 PolarHBondContact O-N 3.19Å; Q627-V629 VanDerWaalsContact C-N 3.34Å; Q627-V629 PolarHBondContact O-N 2.96Å; V629-H632 PolarHBondContact O-N 3.48Å; V629-L633 WeakPolarHBondContact O-CB 3.4Å; V629-L633 WeakPolarHBondContact O-CG 3.29Å; V629-L633 PolarHBondContact O-N 3.38Å; V629-M673 HydrophobicContact CG1-CG 4.31Å; V629-V677 HydrophobicContact CG1-CG2 4.04Å; V629-V677 HydrophobicContact CG2-CG2 4.15Å; V629-I680 HydrophobicContact CB-CD1 4.35Å; V629-I680 HydrophobicContact CG2-CD1 3.96Å; V629-M736 HydrophobicContact CG1-CE 3.21Å; V629-I740 HydrophobicContact CB-CD1 4.45Å; V629-I740 HydrophobicContact CG1-CD1 3.55Å |
| 630 | T | 82.9 | Confident | 83 | Confident | 43 Ų | 43 | 20.7 Ų | 20.7 | 26% | 0.264 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -63.3 | -42 | 173.5 | -60.8 | 0 | 0 | 0 | 0 | 112 | K626 Q627 L633 A634 | K626-T630 PolarHBondContact O-N 3.08Å; K626-T630 PolarHBondContact O-OG1 2.94Å; Q627-T630 PolarHBondContact O-N 2.75Å; Q627-T630 VanDerWaalsContact O-N 3.15Å; T630-L633 PolarHBondContact O-N 3.39Å; T630-A634 WeakPolarHBondContact O-CB 3.49Å; T630-A634 PolarHBondContact O-N 3.5Å |
| 631 | D | 82.4 | Confident | 83.5 | Confident | 18 Ų | 18 | 18.8 Ų | 18.8 | 10% | 0.096 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.1 | -42.1 | 177.8 | -65.5 | -19.5 | 0 | 0 | 0 | 111.7 | Q627 S628 A634 A635 A1008 | Q627-D631 PolarHBondContact NE2-OD1 3.48Å; Q627-D631 VanDerWaalsContact O-CG 3.24Å; Q627-D631 PolarHBondContact O-N 3Å; S628-D631 PolarHBondContact O-N 2.96Å; D631-A634 PolarHBondContact O-N 3.03Å; D631-A635 WeakPolarHBondContact O-CB 3.3Å; D631-A635 PolarHBondContact O-N 3.39Å; D631-A1008 HydrophobicContact CB-CB 4.38Å |
| 632 | H | 85.5 | Confident | 83.8 | Confident | 5 Ų | 5 | 20.1 Ų | 20.1 | 2% | 0.023 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 173.4 | -73 | 97.1 | 0 | 0 | 0 | 111.3 | S628 V629 M636 N669 S672 M673 | S628-H632 PolarHBondContact O-N 3.41Å; S628-H632 PolarHBondContact O-ND1 3.33Å; S628-H632 PolarHBondContact OG-CE1 3.3Å; S628-H632 VanDerWaalsContact OG-CE1 3.28Å; S628-H632 PolarHBondContact OG-ND1 3.41Å; V629-H632 PolarHBondContact O-N 3.48Å; H632-M636 WeakPolarHBondContact O-CB 3.24Å; H632-M636 WeakPolarHBondContact O-CG 3.44Å; H632-M636 PolarHBondContact O-N 2.93Å; H632-N669 HydrophobicContact CB-CB 4.33Å; H632-S672 WeakPolarHBondContact NE2-CB 3.47Å; H632-M673 HydrophobicContact CB-CB 4.2Å |
| 633 | L | 85.6 | Confident | 84 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 174.6 | -79.6 | -175.5 | 0 | 0 | 0 | 112.5 | V629 T630 M636 G637 M673 L700 M736 I737 T812 | V629-L633 WeakPolarHBondContact O-CB 3.4Å; V629-L633 WeakPolarHBondContact O-CG 3.29Å; V629-L633 PolarHBondContact O-N 3.38Å; T630-L633 PolarHBondContact O-N 3.39Å; L633-M636 CarbonylContact O-C 3.6Å; L633-M636 PolarHBondContact O-N 2.58Å; L633-G637 PolarHBondContact O-N 3.26Å; L633-M673 HydrophobicContact CD2-SD 3.64Å; L633-M673 HydrophobicContact CG-SD 4.24Å; L633-L700 HydrophobicContact CD2-CD2 3.59Å; L633-M736 HydrophobicContact CD1-CE 3.67Å; L633-M736 HydrophobicContact CD1-SD 4.38Å; L633-M736 HydrophobicContact CD2-CE 4.18Å; L633-M736 HydrophobicContact CD2-SD 4.44Å; L633-M736 HydrophobicContact CG-CE 4Å; L633-I737 HydrophobicContact CD1-CD1 3.89Å; L633-I737 HydrophobicContact CD1-CG1 3.55Å; L633-T812 HydrophobicContact CB-CG2 4.43Å |
| 634 | A | 82.1 | Confident | 84.2 | Confident | 4 Ų | 4 | 15.9 Ų | 15.9 | 3% | 0.033 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.4 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | T630 D631 G637 A638 T812 | T630-A634 WeakPolarHBondContact O-CB 3.49Å; T630-A634 PolarHBondContact O-N 3.5Å; D631-A634 PolarHBondContact O-N 3.03Å; A634-G637 PolarHBondContact O-N 3.34Å; A634-A638 WeakPolarHBondContact O-CB 3.38Å; A634-A638 PolarHBondContact O-N 3.29Å; A634-T812 HydrophobicContact CB-CG2 4.08Å |
| 635 | A | 83.4 | Confident | 84 | Confident | 17 Ų | 17 | 16.9 Ų | 16.9 | 14% | 0.14 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D631 A639 N669 Q1012 | D631-A635 WeakPolarHBondContact O-CB 3.3Å; D631-A635 PolarHBondContact O-N 3.39Å; A635-A639 WeakPolarHBondContact O-CB 3.47Å; A635-A639 PolarHBondContact O-N 3.05Å; A635-N669 WeakPolarHBondContact CB-ND2 3.49Å; A635-Q1012 VanDerWaalsContact CB-CD 3.45Å; A635-Q1012 HydrophobicContact CB-CG 4.28Å |
| 636 | M | 86.7 | Confident | 83.8 | Confident | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.015 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.3 | -36.8 | 173.4 | -73.3 | 167 | 61 | 0 | 0 | 112.3 | H632 L633 T640 N669 I670 M673 I704 | H632-M636 WeakPolarHBondContact O-CB 3.24Å; H632-M636 WeakPolarHBondContact O-CG 3.44Å; H632-M636 PolarHBondContact O-N 2.93Å; L633-M636 CarbonylContact O-C 3.6Å; L633-M636 PolarHBondContact O-N 2.58Å; M636-T640 WeakPolarHBondContact O-CB 3.45Å; M636-T640 PolarHBondContact O-N 3.17Å; M636-T640 PolarHBondContact O-OG1 2.78Å; M636-N669 HydrophobicContact CG-CB 3.74Å; M636-N669 HydrophobicContact SD-CB 3.79Å; M636-I670 HydrophobicContact CE-CD1 4.16Å; M636-I670 HydrophobicContact CE-CG1 3.6Å; M636-I670 HydrophobicContact SD-CG1 4.11Å; M636-M673 HydrophobicContact CE-CE 4.31Å; M636-M673 HydrophobicContact CE-SD 4.2Å; M636-M673 HydrophobicContact SD-SD 4Å; M636-I704 HydrophobicContact CE-CD1 3.37Å |
| 637 | G | 85.6 | Confident | 83.5 | Confident | 5 Ų | 5 | 16.6 Ų | 16.6 | 5% | 0.052 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.6 | -49.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L633 A634 T640 A641 V808 | L633-G637 PolarHBondContact O-N 3.26Å; A634-G637 PolarHBondContact O-N 3.34Å; G637-T640 PolarHBondContact O-N 3.46Å; G637-A641 WeakPolarHBondContact O-CB 3.49Å; G637-A641 PolarHBondContact O-N 2.93Å; G637-V808 VanDerWaalsContact O-CG1 3.25Å; G637-V808 WeakPolarHBondContact O-CG1 3.29Å |
| 638 | A | 84.9 | Confident | 82.9 | Confident | 11 Ų | 11 | 16.9 Ų | 16.9 | 9% | 0.091 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A634 T640 A641 Q642 A817 Q821 | A634-A638 WeakPolarHBondContact O-CB 3.38Å; A634-A638 PolarHBondContact O-N 3.29Å; A638-T640 VanDerWaalsContact C-N 3.34Å; A638-T640 PolarHBondContact O-N 3.12Å; A638-A641 CarbonylContact O-C 3.49Å; A638-A641 PolarHBondContact O-N 3.41Å; A638-Q642 WeakPolarHBondContact O-CB 3.46Å; A638-Q642 PolarHBondContact O-N 2.78Å; A638-A817 HydrophobicContact CB-CB 4.17Å; A638-Q821 HydrophobicContact CB-CG 4.24Å |
| 639 | A | 84.4 | Confident | 81.9 | Confident | 4 Ų | 4 | 18.1 Ų | 18.1 | 3% | 0.033 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65 | -35.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A635 Q642 V643 T665 I666 | A635-A639 WeakPolarHBondContact O-CB 3.47Å; A635-A639 PolarHBondContact O-N 3.05Å; A639-Q642 PolarHBondContact O-N 3.46Å; A639-V643 WeakPolarHBondContact O-CG2 3.27Å; A639-V643 PolarHBondContact O-N 2.89Å; A639-T665 HydrophobicContact CB-CG2 4.18Å; A639-I666 HydrophobicContact CB-CD1 4.15Å; A639-I666 HydrophobicContact CB-CG1 3.75Å |
| 640 | T | 86.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 173.6 | -64.1 | 0 | 0 | 0 | 0 | 111 | M636 G637 A638 Q642 V643 I644 M707 A726 V808 | M636-T640 WeakPolarHBondContact O-CB 3.45Å; M636-T640 PolarHBondContact O-N 3.17Å; M636-T640 PolarHBondContact O-OG1 2.78Å; G637-T640 PolarHBondContact O-N 3.46Å; A638-T640 VanDerWaalsContact C-N 3.34Å; A638-T640 PolarHBondContact O-N 3.12Å; T640-Q642 VanDerWaalsContact C-N 3.34Å; T640-V643 PolarHBondContact O-N 2.94Å; T640-I644 HydrophobicContact CG2-CD1 4.23Å; T640-I644 WeakPolarHBondContact O-CD1 3.14Å; T640-I644 VanDerWaalsContact O-CG1 3.29Å; T640-I644 WeakPolarHBondContact O-CG1 3.4Å; T640-I644 PolarHBondContact O-N 3.33Å; T640-M707 HydrophobicContact CG2-SD 3.71Å; T640-A726 HydrophobicContact CG2-CB 3.85Å; T640-V808 HydrophobicContact CG2-CG1 3.95Å; T640-V808 HydrophobicContact CG2-CG2 4.13Å |
| 641 | A | 85.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.5 | -39 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G637 A638 I644 Q645 C805 V809 Q821 | G637-A641 WeakPolarHBondContact O-CB 3.49Å; G637-A641 PolarHBondContact O-N 2.93Å; A638-A641 CarbonylContact O-C 3.49Å; A638-A641 PolarHBondContact O-N 3.41Å; A641-I644 CarbonylContact O-C 3.56Å; A641-I644 WeakPolarHBondContact O-CA 3.37Å; A641-I644 WeakPolarHBondContact O-CB 3.36Å; A641-I644 PolarHBondContact O-N 3.28Å; A641-Q645 WeakPolarHBondContact O-CG 3.41Å; A641-Q645 PolarHBondContact O-N 2.68Å; A641-C805 HydrophobicContact CB-CB 4.36Å; A641-V809 HydrophobicContact CB-CG1 4.24Å; A641-Q821 HydrophobicContact CB-CB 3.95Å; A641-Q821 HydrophobicContact CB-CG 4.33Å |
| 642 | Q | 84.8 | Confident | 78.4 | Confident | 73 Ų | 73 | 32 Ų | 32 | 34% | 0.341 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 176.3 | -166.7 | -175.3 | 22.8 | 0 | 0 | 112 | A638 A639 T640 I644 Q645 L646 | A638-Q642 WeakPolarHBondContact O-CB 3.46Å; A638-Q642 PolarHBondContact O-N 2.78Å; A639-Q642 PolarHBondContact O-N 3.46Å; T640-Q642 VanDerWaalsContact C-N 3.34Å; Q642-I644 VanDerWaalsContact C-N 3.28Å; Q642-I644 PolarHBondContact O-N 3.41Å; Q642-Q645 PolarHBondContact O-N 3.11Å; Q642-Q645 VanDerWaalsContact O-N 3.08Å; Q642-L646 HydrophobicContact CG-CD1 4Å; Q642-L646 HydrophobicContact CG-CG 4.31Å; Q642-L646 WeakPolarHBondContact O-CB 3.31Å; Q642-L646 WeakPolarHBondContact O-CG 3.37Å; Q642-L646 PolarHBondContact O-N 3.05Å |
| 643 | V | 84.9 | Confident | 77.4 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 171.1 | 171 | 0 | 0 | 0 | 0 | 110.3 | A639 T640 Q645 T647 A662 I663 I666 V711 | A639-V643 WeakPolarHBondContact O-CG2 3.27Å; A639-V643 PolarHBondContact O-N 2.89Å; T640-V643 PolarHBondContact O-N 2.94Å; V643-Q645 VanDerWaalsContact C-N 3.32Å; V643-Q645 PolarHBondContact O-N 3.08Å; V643-T647 HydrophobicContact CG1-CG2 4.49Å; V643-T647 WeakPolarHBondContact O-CB 3.33Å; V643-T647 PolarHBondContact O-N 2.99Å; V643-T647 VanDerWaalsContact O-N 3.14Å; V643-T647 PolarHBondContact O-OG1 2.96Å; V643-A662 HydrophobicContact CG2-CB 3.65Å; V643-I663 HydrophobicContact CG2-CG1 4.07Å; V643-I666 HydrophobicContact CG2-CD1 4.38Å; V643-V711 HydrophobicContact CG1-CG1 4.32Å; V643-V711 HydrophobicContact CG1-CG2 4.05Å |
| 644 | I | 83.9 | Confident | 76.4 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -34.9 | 173.5 | -70.6 | 160.5 | 0 | 0 | 0 | 112.1 | T640 A641 Q642 R719 L723 A726 Q801 A804 V808 | T640-I644 HydrophobicContact CG2-CD1 4.23Å; T640-I644 WeakPolarHBondContact O-CD1 3.14Å; T640-I644 VanDerWaalsContact O-CG1 3.29Å; T640-I644 WeakPolarHBondContact O-CG1 3.4Å; T640-I644 PolarHBondContact O-N 3.33Å; A641-I644 CarbonylContact O-C 3.56Å; A641-I644 WeakPolarHBondContact O-CA 3.37Å; A641-I644 WeakPolarHBondContact O-CB 3.36Å; A641-I644 PolarHBondContact O-N 3.28Å; Q642-I644 VanDerWaalsContact C-N 3.28Å; Q642-I644 PolarHBondContact O-N 3.41Å; I644-R719 PolarHBondContact O-NH2 2.89Å; I644-L723 HydrophobicContact CG1-CD2 4.43Å; I644-L723 HydrophobicContact CG2-CD2 3.64Å; I644-A726 HydrophobicContact CD1-CB 3.52Å; I644-A726 HydrophobicContact CG1-CB 3.94Å; I644-Q801 HydrophobicContact CG2-CB 4.47Å; I644-Q801 HydrophobicContact CG2-CG 3.36Å; I644-A804 HydrophobicContact CD1-CB 4.42Å; I644-V808 HydrophobicContact CD1-CG2 4.28Å |
| 645 | Q | 79.5 | Confident | 75.9 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 12% | 0.121 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.8 | -54.9 | 175.9 | -68.4 | -174.1 | 17.2 | 0 | 0 | 112.1 | A641 Q642 V643 T647 G648 Q821 | A641-Q645 WeakPolarHBondContact O-CG 3.41Å; A641-Q645 PolarHBondContact O-N 2.68Å; Q642-Q645 PolarHBondContact O-N 3.11Å; Q642-Q645 VanDerWaalsContact O-N 3.08Å; V643-Q645 VanDerWaalsContact C-N 3.32Å; V643-Q645 PolarHBondContact O-N 3.08Å; Q645-T647 VanDerWaalsContact C-N 3.28Å; Q645-T647 PolarHBondContact O-N 3.19Å; Q645-G648 WeakPolarHBondContact O-CA 3.45Å; Q645-G648 PolarHBondContact O-N 2.68Å; Q645-Q821 PolarHBondContact NE2-O 3.4Å |
| 646 | L | 78.8 | Confident | 75.4 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -37.7 | -174.9 | -69.3 | 172 | 0 | 0 | 0 | 112.7 | Q642 G648 A658 V659 | Q642-L646 HydrophobicContact CG-CD1 4Å; Q642-L646 HydrophobicContact CG-CG 4.31Å; Q642-L646 WeakPolarHBondContact O-CB 3.31Å; Q642-L646 WeakPolarHBondContact O-CG 3.37Å; Q642-L646 PolarHBondContact O-N 3.05Å; L646-G648 VanDerWaalsContact C-N 3.26Å; L646-G648 PolarHBondContact O-N 3.13Å; L646-A658 HydrophobicContact CD1-CB 3.77Å; L646-A658 HydrophobicContact CD2-CB 4.32Å; L646-V659 HydrophobicContact CB-CG2 3.66Å; L646-V659 HydrophobicContact CD1-CG2 4.03Å; L646-V659 HydrophobicContact CG-CG2 4.5Å |
| 647 | T | 78.2 | Confident | 74.8 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 6.8 | 177.7 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | V643 Q645 V659 V711 R719 | V643-T647 HydrophobicContact CG1-CG2 4.49Å; V643-T647 WeakPolarHBondContact O-CB 3.33Å; V643-T647 PolarHBondContact O-N 2.99Å; V643-T647 VanDerWaalsContact O-N 3.14Å; V643-T647 PolarHBondContact O-OG1 2.96Å; Q645-T647 VanDerWaalsContact C-N 3.28Å; Q645-T647 PolarHBondContact O-N 3.19Å; T647-V659 HydrophobicContact CG2-CG1 4.24Å; T647-V659 HydrophobicContact CG2-CG2 3.9Å; T647-V711 HydrophobicContact CG2-CG1 4.34Å; T647-R719 VanDerWaalsContact C-NH2 3.3Å; T647-R719 PolarHBondContact O-NH1 3.16Å; T647-R719 PolarHBondContact O-NH2 2.97Å; T647-R719 VanDerWaalsContact OG1-CZ 3.27Å; T647-R719 PolarHBondContact OG1-NH1 3.4Å; T647-R719 PolarHBondContact OG1-NH2 3.42Å |
| 648 | G | 66.6 | Low | 74.2 | Confident | 40 Ų | 40 | 45.4 Ų | 45.4 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -15.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q645 L646 | Q645-G648 WeakPolarHBondContact O-CA 3.45Å; Q645-G648 PolarHBondContact O-N 2.68Å; L646-G648 VanDerWaalsContact C-N 3.26Å; L646-G648 PolarHBondContact O-N 3.13Å |
| 649 | A | 62.1 | Low | 73.9 | Confident | 50 Ų | 50 | 45 Ų | 45 | 41% | 0.413 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -72.2 | 166 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V654 | A649-V654 HydrophobicContact CB-CG2 4.31Š|
| 650 | I | 61.1 | Low | 73.7 | Confident | 99 Ų | 99 | 44.9 Ų | 44.9 | 51% | 0.508 | 25% | 0.253 | S | S | . | . | trans | -55 | 134.8 | 170.3 | -58 | 172.5 | 0 | 0 | 0 | 108.4 | D652 K653 | I650-D652 PolarHBondContact O-N 2.96Å; I650-K653 PolarHBondContact O-N 3.39Å | ||
| 651 | P | 57.3 | Low | 73.2 | Confident | 95 Ų | 95 | 45.3 Ų | 45.3 | 62% | 0.617 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -50.4 | -37.7 | -171.7 | -31.3 | 36.1 | 0 | 0 | 0 | 115.4 | K653 V654 | P651-K653 PolarHBondContact O-N 2.86Å; P651-V654 PolarHBondContact O-N 3.15Å |
| 652 | D | 59.7 | Low | 73.1 | Confident | 159 Ų | 159 | 45.4 Ų | 45.4 | 85% | 0.85 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -74.2 | -6.5 | -179.2 | -50.4 | -41.4 | 0 | 0 | 0 | 113.9 | I650 | I650-D652 PolarHBondContact O-N 2.96Š|
| 653 | K | 63.7 | Low | 73.1 | Confident | 167 Ų | 167 | 41.9 Ų | 41.9 | 73% | 0.726 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -115 | 7.5 | 178 | -65.9 | -167.7 | 174.1 | -168.3 | 0 | 113.6 | I650 P651 D655 | I650-K653 PolarHBondContact O-N 3.39Å; P651-K653 PolarHBondContact O-N 2.86Å; K653-D655 PolarHBondContact O-N 3.48Å |
| 654 | V | 65.3 | Low | 73 | Confident | 22 Ų | 22 | 42.6 Ų | 42.6 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | trans | -78.7 | 118.5 | 178.4 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | A649 P651 H656 V659 | A649-V654 HydrophobicContact CB-CG2 4.31Å; P651-V654 PolarHBondContact O-N 3.15Å; V654-H656 PolarHBondContact O-N 2.88Å; V654-V659 HydrophobicContact CG1-CG2 3.96Å | ||
| 655 | D | 70.1 | Confident | 72.9 | Confident | 60 Ų | 60 | 43.6 Ų | 43.6 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | trans | -71.1 | 99 | 170.4 | -176.9 | -5 | 0 | 0 | 0 | 110.2 | K653 T657 A658 V659 | K653-D655 PolarHBondContact O-N 3.48Å; D655-T657 PolarHBondContact O-N 3.03Å; D655-T657 WeakPolarHBondContact OD1-CA 3.37Å; D655-T657 WeakPolarHBondContact OD1-CB 3.25Å; D655-T657 PolarHBondContact OD1-N 3.05Å; D655-T657 PolarHBondContact OD1-OG1 3.36Å; D655-T657 PolarHBondContact OD2-OG1 2.99Å; D655-A658 HydrophobicContact CB-CB 4.01Å; D655-A658 PolarHBondContact O-N 3.26Å; D655-A658 PolarHBondContact OD1-N 3.36Å; D655-A658 WeakPolarHBondContact OD2-CB 3.3Å; D655-V659 WeakPolarHBondContact O-CG2 3.34Å; D655-V659 PolarHBondContact O-N 2.93Å | ||
| 656 | H | 73.8 | Confident | 73.2 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 13% | 0.13 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.4 | -20.5 | 178.8 | -61.8 | -54.9 | 0 | 0 | 0 | 113.7 | Q578 L581 V654 G660 | Q578-H656 WeakPolarHBondContact CG-CD2 3.49Å; Q578-H656 VanDerWaalsContact CG-NE2 3.29Å; Q578-H656 WeakPolarHBondContact CG-NE2 3.36Å; Q578-H656 PolarHBondContact NE2-NE2 2.89Å; L581-H656 HydrophobicContact CD2-CB 4.01Å; V654-H656 PolarHBondContact O-N 2.88Å; H656-G660 PolarHBondContact O-N 3.18Å |
| 657 | T | 74.4 | Confident | 73.5 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 19% | 0.19 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -78.5 | -45.1 | 175.9 | 69.6 | 0 | 0 | 0 | 0 | 110.9 | D655 V659 G660 A661 | D655-T657 PolarHBondContact O-N 3.03Å; D655-T657 WeakPolarHBondContact OD1-CA 3.37Å; D655-T657 WeakPolarHBondContact OD1-CB 3.25Å; D655-T657 PolarHBondContact OD1-N 3.05Å; D655-T657 PolarHBondContact OD1-OG1 3.36Å; D655-T657 PolarHBondContact OD2-OG1 2.99Å; T657-V659 VanDerWaalsContact C-N 3.35Å; T657-V659 PolarHBondContact O-N 3.13Å; T657-G660 CarbonylContact O-C 3.58Å; T657-G660 WeakPolarHBondContact O-CA 3.46Å; T657-G660 PolarHBondContact O-N 3.11Å; T657-A661 PolarHBondContact O-N 2.73Å |
| 658 | A | 72.2 | Confident | 73.8 | Confident | 10 Ų | 10 | 40 Ų | 40 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.3 | -39.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L646 D655 G660 A661 A662 M1099 | L646-A658 HydrophobicContact CD1-CB 3.77Å; L646-A658 HydrophobicContact CD2-CB 4.32Å; D655-A658 HydrophobicContact CB-CB 4.01Å; D655-A658 PolarHBondContact O-N 3.26Å; D655-A658 PolarHBondContact OD1-N 3.36Å; D655-A658 WeakPolarHBondContact OD2-CB 3.3Å; A658-G660 VanDerWaalsContact C-N 3.31Å; A658-G660 PolarHBondContact O-N 3.47Å; A658-A661 PolarHBondContact O-N 3.24Å; A658-A662 PolarHBondContact O-N 2.85Å; A658-M1099 HydrophobicContact CB-CE 4.13Å |
| 659 | V | 79.8 | Confident | 74.7 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 171.8 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | L581 L646 T647 V654 D655 T657 I663 V711 | L581-V659 HydrophobicContact CD1-CG1 4.11Å; L581-V659 HydrophobicContact CD2-CG1 4.2Å; L646-V659 HydrophobicContact CB-CG2 3.66Å; L646-V659 HydrophobicContact CD1-CG2 4.03Å; L646-V659 HydrophobicContact CG-CG2 4.5Å; T647-V659 HydrophobicContact CG2-CG1 4.24Å; T647-V659 HydrophobicContact CG2-CG2 3.9Å; V654-V659 HydrophobicContact CG1-CG2 3.96Å; D655-V659 WeakPolarHBondContact O-CG2 3.34Å; D655-V659 PolarHBondContact O-N 2.93Å; T657-V659 VanDerWaalsContact C-N 3.35Å; T657-V659 PolarHBondContact O-N 3.13Å; V659-I663 HydrophobicContact CG1-CD1 3.86Å; V659-I663 WeakPolarHBondContact O-CB 3.35Å; V659-I663 VanDerWaalsContact O-CG1 3.27Å; V659-I663 WeakPolarHBondContact O-CG1 3.43Å; V659-I663 PolarHBondContact O-N 3.37Å; V659-V711 HydrophobicContact CG1-CG1 4.31Å |
| 660 | G | 79.9 | Confident | 76 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | H656 T657 A658 I663 S664 | H656-G660 PolarHBondContact O-N 3.18Å; T657-G660 CarbonylContact O-C 3.58Å; T657-G660 WeakPolarHBondContact O-CA 3.46Å; T657-G660 PolarHBondContact O-N 3.11Å; A658-G660 VanDerWaalsContact C-N 3.31Å; A658-G660 PolarHBondContact O-N 3.47Å; G660-I663 PolarHBondContact O-N 3.02Å; G660-S664 WeakPolarHBondContact O-CB 3.42Å; G660-S664 PolarHBondContact O-N 3.31Å |
| 661 | A | 76.8 | Confident | 77.1 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -46.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T657 A658 I663 S664 T665 M1099 | T657-A661 PolarHBondContact O-N 2.73Å; A658-A661 PolarHBondContact O-N 3.24Å; A661-I663 VanDerWaalsContact C-N 3.32Å; A661-I663 PolarHBondContact O-N 3.16Å; A661-S664 WeakPolarHBondContact O-CA 3.5Å; A661-S664 VanDerWaalsContact O-CB 3.31Å; A661-S664 WeakPolarHBondContact O-CB 3.35Å; A661-S664 PolarHBondContact O-N 2.76Å; A661-S664 VanDerWaalsContact O-N 3.09Å; A661-T665 PolarHBondContact O-N 3.16Å; A661-T665 PolarHBondContact O-OG1 3.46Å; A661-M1099 HydrophobicContact CB-CB 4.42Å; A661-M1099 HydrophobicContact CB-CG 4.28Å; A661-M1099 HydrophobicContact CB-SD 3.95Å |
| 662 | A | 81.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V643 A658 T665 I666 | V643-A662 HydrophobicContact CG2-CB 3.65Å; A658-A662 PolarHBondContact O-N 2.85Å; A662-T665 PolarHBondContact O-N 2.84Å; A662-I666 WeakPolarHBondContact O-CG1 3.32Å; A662-I666 PolarHBondContact O-N 3.06Å; A662-I666 VanDerWaalsContact O-N 3.15Å |
| 663 | I | 85.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.7 | -36.8 | 172.4 | -72.3 | 173.3 | 0 | 0 | 0 | 111.7 | L581 T584 I585 S588 V643 V659 G660 A661 I666 S667 L708 V711 | L581-I663 HydrophobicContact CD1-CD1 4.19Å; T584-I663 HydrophobicContact CG2-CG2 4.43Å; I585-I663 HydrophobicContact CD1-CD1 4.16Å; I585-I663 HydrophobicContact CG1-CD1 3.86Å; I585-I663 HydrophobicContact CG1-CG2 4.41Å; S588-I663 WeakPolarHBondContact OG-CG2 3.5Å; V643-I663 HydrophobicContact CG2-CG1 4.07Å; V659-I663 HydrophobicContact CG1-CD1 3.86Å; V659-I663 WeakPolarHBondContact O-CB 3.35Å; V659-I663 VanDerWaalsContact O-CG1 3.27Å; V659-I663 WeakPolarHBondContact O-CG1 3.43Å; V659-I663 PolarHBondContact O-N 3.37Å; G660-I663 PolarHBondContact O-N 3.02Å; A661-I663 VanDerWaalsContact C-N 3.32Å; A661-I663 PolarHBondContact O-N 3.16Å; I663-I666 PolarHBondContact O-N 3.22Å; I663-S667 VanDerWaalsContact O-CB 3.3Å; I663-S667 WeakPolarHBondContact O-CB 3.46Å; I663-S667 PolarHBondContact O-N 2.79Å; I663-L708 HydrophobicContact CB-CD2 4.3Å; I663-L708 HydrophobicContact CD1-CD2 4.07Å; I663-L708 HydrophobicContact CG1-CD2 3.82Å; I663-L708 HydrophobicContact CG2-CD2 3.69Å; I663-V711 HydrophobicContact CD1-CG1 4.17Å |
| 664 | S | 82.7 | Confident | 80.7 | Confident | 15 Ų | 15 | 15.3 Ų | 15.3 | 11% | 0.105 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 173.1 | -170 | 0 | 0 | 0 | 0 | 111.1 | G660 A661 I666 S667 S668 Q1100 | G660-S664 WeakPolarHBondContact O-CB 3.42Å; G660-S664 PolarHBondContact O-N 3.31Å; A661-S664 WeakPolarHBondContact O-CA 3.5Å; A661-S664 VanDerWaalsContact O-CB 3.31Å; A661-S664 WeakPolarHBondContact O-CB 3.35Å; A661-S664 PolarHBondContact O-N 2.76Å; A661-S664 VanDerWaalsContact O-N 3.09Å; S664-I666 VanDerWaalsContact C-N 3.34Å; S664-I666 PolarHBondContact O-N 3.48Å; S664-S667 CarbonylContact O-C 3.54Å; S664-S667 WeakPolarHBondContact O-CA 3.47Å; S664-S667 WeakPolarHBondContact O-CB 3.39Å; S664-S667 PolarHBondContact O-N 3Å; S664-S668 WeakPolarHBondContact O-CB 3.37Å; S664-S668 PolarHBondContact O-N 3.36Å; S664-S668 PolarHBondContact O-OG 3.35Å; S664-Q1100 VanDerWaalsContact CB-OE1 3.29Å; S664-Q1100 PolarHBondContact OG-OE1 2.99Å |
| 665 | T | 82.9 | Confident | 81.6 | Confident | 23 Ų | 23 | 21.5 Ų | 21.5 | 14% | 0.141 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.9 | -43.3 | 175 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | A639 A661 A662 S668 N669 | A639-T665 HydrophobicContact CB-CG2 4.18Å; A661-T665 PolarHBondContact O-N 3.16Å; A661-T665 PolarHBondContact O-OG1 3.46Å; A662-T665 PolarHBondContact O-N 2.84Å; T665-S668 PolarHBondContact O-OG 3.24Å; T665-N669 WeakPolarHBondContact O-CB 3.27Å; T665-N669 PolarHBondContact O-N 3.12Å; T665-N669 PolarHBondContact O-ND2 3.12Å |
| 666 | I | 85.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 174.4 | -65.9 | 161.5 | 0 | 0 | 0 | 110.4 | A639 V643 A662 I663 S664 I670 I704 M707 | A639-I666 HydrophobicContact CB-CD1 4.15Å; A639-I666 HydrophobicContact CB-CG1 3.75Å; V643-I666 HydrophobicContact CG2-CD1 4.38Å; A662-I666 WeakPolarHBondContact O-CG1 3.32Å; A662-I666 PolarHBondContact O-N 3.06Å; A662-I666 VanDerWaalsContact O-N 3.15Å; I663-I666 PolarHBondContact O-N 3.22Å; S664-I666 VanDerWaalsContact C-N 3.34Å; S664-I666 PolarHBondContact O-N 3.48Å; I666-I670 HydrophobicContact CG2-CD1 4.14Å; I666-I670 VanDerWaalsContact O-CD1 3.25Å; I666-I670 WeakPolarHBondContact O-CD1 3.49Å; I666-I670 VanDerWaalsContact O-CG1 3.28Å; I666-I670 WeakPolarHBondContact O-CG1 3.37Å; I666-I704 HydrophobicContact CG2-CG2 3.74Å; I666-M707 HydrophobicContact CD1-CE 3.98Å |
| 667 | S | 84.7 | Confident | 83 | Confident | 13 Ų | 13 | 17.4 Ų | 17.4 | 9% | 0.091 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.1 | -31.7 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 114.5 | S588 I663 S664 P671 | S588-S667 VanDerWaalsContact CA-OG 3.29Å; S588-S667 WeakPolarHBondContact CA-OG 3.37Å; S588-S667 WeakPolarHBondContact CB-OG 3.32Å; S588-S667 VanDerWaalsContact OG-CB 3.29Å; S588-S667 WeakPolarHBondContact OG-CB 3.29Å; S588-S667 PolarHBondContact OG-OG 3.12Å; I663-S667 VanDerWaalsContact O-CB 3.3Å; I663-S667 WeakPolarHBondContact O-CB 3.46Å; I663-S667 PolarHBondContact O-N 2.79Å; S664-S667 CarbonylContact O-C 3.54Å; S664-S667 WeakPolarHBondContact O-CA 3.47Å; S664-S667 WeakPolarHBondContact O-CB 3.39Å; S664-S667 PolarHBondContact O-N 3Å; S667-P671 VanDerWaalsContact O-CD 3.24Å; S667-P671 WeakPolarHBondContact O-CD 3.45Å |
| 668 | S | 83.6 | Confident | 83.6 | Confident | 13 Ų | 13 | 17.5 Ų | 17.5 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -81.1 | -31.6 | -178.2 | 63.4 | 0 | 0 | 0 | 0 | 112.3 | S664 T665 P671 T1015 V1019 Q1100 | S664-S668 WeakPolarHBondContact O-CB 3.37Å; S664-S668 PolarHBondContact O-N 3.36Å; S664-S668 PolarHBondContact O-OG 3.35Å; T665-S668 PolarHBondContact O-OG 3.24Å; S668-P671 WeakPolarHBondContact O-CD 3.43Å; S668-T1015 WeakPolarHBondContact O-CG2 3.48Å; S668-V1019 VanDerWaalsContact CB-CG2 3.45Å; S668-Q1100 PolarHBondContact OG-NE2 2.87Å |
| 669 | N | 86.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -76.2 | -25.3 | -178.7 | -70.6 | -1.5 | 0 | 0 | 0 | 112.3 | H632 A635 M636 T665 S672 M673 Q1012 T1015 | H632-N669 HydrophobicContact CB-CB 4.33Å; A635-N669 WeakPolarHBondContact CB-ND2 3.49Å; M636-N669 HydrophobicContact CG-CB 3.74Å; M636-N669 HydrophobicContact SD-CB 3.79Å; T665-N669 WeakPolarHBondContact O-CB 3.27Å; T665-N669 PolarHBondContact O-N 3.12Å; T665-N669 PolarHBondContact O-ND2 3.12Å; N669-S672 PolarHBondContact O-N 3.26Å; N669-M673 WeakPolarHBondContact O-CB 3.46Å; N669-M673 PolarHBondContact O-N 2.78Å; N669-Q1012 PolarHBondContact ND2-NE2 2.8Å; N669-Q1012 PolarHBondContact ND2-OE1 3.12Å; N669-T1015 WeakPolarHBondContact OD1-CG2 3.35Å |
| 670 | I | 88.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64 | -46.6 | -178.3 | -71.3 | 161.7 | 0 | 0 | 0 | 113.7 | V592 A595 M636 I666 S672 M673 T674 I704 | V592-I670 HydrophobicContact CG1-CD1 4.44Å; V592-I670 HydrophobicContact CG2-CD1 3.54Å; A595-I670 HydrophobicContact CB-CG2 3.53Å; M636-I670 HydrophobicContact CE-CD1 4.16Å; M636-I670 HydrophobicContact CE-CG1 3.6Å; M636-I670 HydrophobicContact SD-CG1 4.11Å; I666-I670 HydrophobicContact CG2-CD1 4.14Å; I666-I670 VanDerWaalsContact O-CD1 3.25Å; I666-I670 WeakPolarHBondContact O-CD1 3.49Å; I666-I670 VanDerWaalsContact O-CG1 3.28Å; I666-I670 WeakPolarHBondContact O-CG1 3.37Å; I670-S672 PolarHBondContact O-N 3.37Å; I670-M673 HydrophobicContact CG1-CE 4.42Å; I670-M673 PolarHBondContact O-N 3.48Å; I670-T674 HydrophobicContact CG2-CG2 4.34Å; I670-T674 WeakPolarHBondContact O-CB 3.44Å; I670-T674 WeakPolarHBondContact O-CG2 3.19Å; I670-T674 PolarHBondContact O-N 3.48Å; I670-T674 PolarHBondContact O-OG1 3.16Å; I670-I704 HydrophobicContact CD1-CD1 3.85Å; I670-I704 HydrophobicContact CD1-CG2 4.04Å; I670-I704 HydrophobicContact CG1-CD1 4.36Å |
| 671 | P | 84.9 | Confident | 84.5 | Confident | 57 Ų | 57 | 18.8 Ų | 18.8 | 37% | 0.37 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -58.4 | -42.6 | 173.4 | -28.6 | 36.1 | 0 | 0 | 0 | 114 | S667 S668 T674 K675 | S667-P671 VanDerWaalsContact O-CD 3.24Å; S667-P671 WeakPolarHBondContact O-CD 3.45Å; S668-P671 WeakPolarHBondContact O-CD 3.43Å; P671-T674 WeakPolarHBondContact CA-OG1 3.14Å; P671-T674 PolarHBondContact O-OG1 2.93Å; P671-T674 VanDerWaalsContact O-OG1 3.13Å; P671-K675 PolarHBondContact O-N 3.25Å |
| 672 | S | 82.3 | Confident | 84.7 | Confident | 28 Ų | 28 | 20.3 Ų | 20.3 | 20% | 0.196 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.6 | -47.7 | 176.7 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | H632 N669 I670 T674 K675 G676 | H632-S672 WeakPolarHBondContact NE2-CB 3.47Å; N669-S672 PolarHBondContact O-N 3.26Å; I670-S672 PolarHBondContact O-N 3.37Å; S672-T674 PolarHBondContact O-N 3.38Å; S672-K675 PolarHBondContact O-N 2.94Å; S672-G676 PolarHBondContact O-N 3.08Å |
| 673 | M | 87.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 176.4 | -178.4 | -166 | 67.5 | 0 | 0 | 111.8 | V629 H632 L633 M636 N669 I670 K675 G676 V677 T697 L700 M736 | V629-M673 HydrophobicContact CG1-CG 4.31Å; H632-M673 HydrophobicContact CB-CB 4.2Å; L633-M673 HydrophobicContact CD2-SD 3.64Å; L633-M673 HydrophobicContact CG-SD 4.24Å; M636-M673 HydrophobicContact CE-CE 4.31Å; M636-M673 HydrophobicContact CE-SD 4.2Å; M636-M673 HydrophobicContact SD-SD 4Å; N669-M673 WeakPolarHBondContact O-CB 3.46Å; N669-M673 PolarHBondContact O-N 2.78Å; I670-M673 HydrophobicContact CG1-CE 4.42Å; I670-M673 PolarHBondContact O-N 3.48Å; M673-K675 PolarHBondContact O-N 3.29Å; M673-G676 PolarHBondContact O-N 3.34Å; M673-V677 HydrophobicContact CG-CG2 4.4Å; M673-V677 WeakPolarHBondContact O-CB 3.33Å; M673-V677 WeakPolarHBondContact O-CG2 3.23Å; M673-V677 PolarHBondContact O-N 2.76Å; M673-T697 HydrophobicContact CE-CG2 3.78Å; M673-L700 HydrophobicContact CE-CD2 4.16Å; M673-L700 HydrophobicContact SD-CD2 4.07Å; M673-M736 HydrophobicContact CG-CE 4.04Å; M673-M736 HydrophobicContact SD-CE 3.94Å; M673-M736 HydrophobicContact SD-SD 4.32Å |
| 674 | T | 87.2 | Confident | 84.2 | Confident | 7 Ų | 7 | 22.2 Ų | 22.2 | 4% | 0.043 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.3 | -33.1 | 179.1 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | A595 L599 I670 P671 S672 K678 T697 | A595-T674 HydrophobicContact CB-CG2 4.04Å; L599-T674 HydrophobicContact CD1-CG2 3.75Å; L599-T674 HydrophobicContact CD2-CG2 3.88Å; L599-T674 HydrophobicContact CG-CG2 3.76Å; I670-T674 HydrophobicContact CG2-CG2 4.34Å; I670-T674 WeakPolarHBondContact O-CB 3.44Å; I670-T674 WeakPolarHBondContact O-CG2 3.19Å; I670-T674 PolarHBondContact O-N 3.48Å; I670-T674 PolarHBondContact O-OG1 3.16Å; P671-T674 WeakPolarHBondContact CA-OG1 3.14Å; P671-T674 PolarHBondContact O-OG1 2.93Å; P671-T674 VanDerWaalsContact O-OG1 3.13Å; S672-T674 PolarHBondContact O-N 3.38Å; T674-K678 WeakPolarHBondContact O-CB 3.46Å; T674-K678 WeakPolarHBondContact O-CD 3.39Å; T674-K678 WeakPolarHBondContact O-CG 3.3Å; T674-K678 PolarHBondContact O-N 2.89Å; T674-K678 VanDerWaalsContact O-N 3.08Å; T674-T697 HydrophobicContact CG2-CG2 4.16Å |
| 675 | K | 84.7 | Confident | 83.7 | Confident | 152 Ų | 152 | 29.7 Ų | 29.7 | 66% | 0.661 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -63.7 | -49.7 | 168.6 | -170.8 | -176.5 | 179.2 | -173.1 | 0 | 111.1 | P671 S672 M673 K678 T679 | P671-K675 PolarHBondContact O-N 3.25Å; S672-K675 PolarHBondContact O-N 2.94Å; M673-K675 PolarHBondContact O-N 3.29Å; K675-K678 PolarHBondContact O-N 3.38Å; K675-T679 PolarHBondContact O-N 2.92Å; K675-T679 PolarHBondContact O-OG1 3.47Å |
| 676 | G | 84.6 | Confident | 83.5 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S672 M673 K678 T679 I680 | S672-G676 PolarHBondContact O-N 3.08Å; M673-G676 PolarHBondContact O-N 3.34Å; G676-K678 VanDerWaalsContact C-N 3.33Å; G676-K678 PolarHBondContact O-N 3.03Å; G676-T679 WeakPolarHBondContact O-CB 3.44Å; G676-T679 PolarHBondContact O-N 3.36Å; G676-T679 VanDerWaalsContact O-N 3.13Å; G676-I680 WeakPolarHBondContact O-CG1 3.35Å; G676-I680 PolarHBondContact O-N 2.8Å |
| 677 | V | 87.4 | Confident | 83 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57 | -42.7 | 174.5 | 163 | 0 | 0 | 0 | 0 | 112.2 | L599 V629 M673 T679 I680 A681 L693 L694 T697 M736 | L599-V677 HydrophobicContact CD2-CG1 4.39Å; V629-V677 HydrophobicContact CG1-CG2 4.04Å; V629-V677 HydrophobicContact CG2-CG2 4.15Å; M673-V677 HydrophobicContact CG-CG2 4.4Å; M673-V677 WeakPolarHBondContact O-CB 3.33Å; M673-V677 WeakPolarHBondContact O-CG2 3.23Å; M673-V677 PolarHBondContact O-N 2.76Å; V677-T679 VanDerWaalsContact C-N 3.35Å; V677-I680 PolarHBondContact O-N 3.1Å; V677-A681 VanDerWaalsContact O-CB 3.29Å; V677-A681 WeakPolarHBondContact O-CB 3.05Å; V677-A681 PolarHBondContact O-N 3.03Å; V677-L693 HydrophobicContact CG1-CD2 4.2Å; V677-L693 HydrophobicContact CG1-CG 3.95Å; V677-L694 HydrophobicContact CG1-CD2 4.02Å; V677-T697 HydrophobicContact CG1-CG2 4.46Å; V677-T697 HydrophobicContact CG2-CG2 4.38Å; V677-M736 HydrophobicContact CG2-CE 3.59Å; V677-M736 HydrophobicContact CG2-SD 4.36Å |
| 678 | K | 86.8 | Confident | 82.8 | Confident | 33 Ų | 33 | 47.1 Ų | 47.1 | 14% | 0.143 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.9 | -37.6 | 177 | -76.2 | 171.2 | 57.8 | 157.8 | 0 | 112.4 | D598 L599 K601 V603 T674 K675 G676 A682 L694 | D598-K678 PolarHBondContact O-NZ 2.98Å; L599-K678 HydrophobicContact CD2-CD 4.32Å; L599-K678 HydrophobicContact CD2-CG 4Å; K601-K678 WeakPolarHBondContact O-CE 3.43Å; K601-K678 PolarHBondContact O-NZ 3.37Å; V603-K678 HydrophobicContact CG2-CB 3.77Å; T674-K678 WeakPolarHBondContact O-CB 3.46Å; T674-K678 WeakPolarHBondContact O-CD 3.39Å; T674-K678 WeakPolarHBondContact O-CG 3.3Å; T674-K678 PolarHBondContact O-N 2.89Å; T674-K678 VanDerWaalsContact O-N 3.08Å; K675-K678 PolarHBondContact O-N 3.38Å; G676-K678 VanDerWaalsContact C-N 3.33Å; G676-K678 PolarHBondContact O-N 3.03Å; K678-A682 WeakPolarHBondContact O-CB 3.17Å; K678-A682 PolarHBondContact O-N 2.78Å; K678-L694 HydrophobicContact CG-CD2 4.13Å |
| 679 | T | 83.4 | Confident | 82.7 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -49.3 | 173.3 | -49.1 | 0 | 0 | 0 | 0 | 110.1 | F605 Q625 K675 G676 V677 A682 L683 | F605-T679 HydrophobicContact CE1-CG2 4.27Å; F605-T679 HydrophobicContact CZ-CG2 3.79Å; Q625-T679 HydrophobicContact CG-CG2 3.89Å; K675-T679 PolarHBondContact O-N 2.92Å; K675-T679 PolarHBondContact O-OG1 3.47Å; G676-T679 WeakPolarHBondContact O-CB 3.44Å; G676-T679 PolarHBondContact O-N 3.36Å; G676-T679 VanDerWaalsContact O-N 3.13Å; V677-T679 VanDerWaalsContact C-N 3.35Å; T679-A682 PolarHBondContact O-N 3.05Å; T679-L683 HydrophobicContact CG2-CD1 3.96Å; T679-L683 HydrophobicContact CG2-CG 4.5Å; T679-L683 WeakPolarHBondContact O-CG 3.34Å; T679-L683 PolarHBondContact O-N 3.37Å |
| 680 | I | 84.1 | Confident | 82.5 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -54.1 | 176.2 | -64.9 | 166.1 | 0 | 0 | 0 | 110.5 | Q625 K626 V629 G676 V677 A682 L683 M684 L693 | Q625-I680 HydrophobicContact CB-CD1 4.12Å; Q625-I680 HydrophobicContact CB-CG1 3.74Å; K626-I680 HydrophobicContact CG-CD1 4.45Å; V629-I680 HydrophobicContact CB-CD1 4.35Å; V629-I680 HydrophobicContact CG2-CD1 3.96Å; G676-I680 WeakPolarHBondContact O-CG1 3.35Å; G676-I680 PolarHBondContact O-N 2.8Å; V677-I680 PolarHBondContact O-N 3.1Å; I680-A682 PolarHBondContact O-N 3.16Å; I680-L683 PolarHBondContact O-N 3.39Å; I680-M684 HydrophobicContact CG2-CG 4.01Å; I680-M684 HydrophobicContact CG2-SD 3.88Å; I680-M684 VanDerWaalsContact O-CG 3.28Å; I680-M684 WeakPolarHBondContact O-CG 3.46Å; I680-M684 PolarHBondContact O-N 3.14Å; I680-L693 HydrophobicContact CB-CD2 4.25Å; I680-L693 HydrophobicContact CG2-CD2 3.77Å |
| 681 | A | 83.5 | Confident | 82.3 | Confident | 20 Ų | 20 | 53.3 Ų | 53.3 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -18.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V677 L694 | V677-A681 VanDerWaalsContact O-CB 3.29Å; V677-A681 WeakPolarHBondContact O-CB 3.05Å; V677-A681 PolarHBondContact O-N 3.03Å; A681-L694 HydrophobicContact CB-CD1 4.11Å; A681-L694 HydrophobicContact CB-CD2 4.24Å; A681-L694 HydrophobicContact CB-CG 3.92Å |
| 682 | A | 81.5 | Confident | 82.4 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 35% | 0.347 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -97.8 | -15.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V603 F605 K678 T679 I680 | V603-A682 HydrophobicContact CB-CB 4.35Å; F605-A682 HydrophobicContact CD2-CB 4.24Å; F605-A682 HydrophobicContact CE2-CB 3.55Å; F605-A682 HydrophobicContact CZ-CB 4.4Å; K678-A682 WeakPolarHBondContact O-CB 3.17Å; K678-A682 PolarHBondContact O-N 2.78Å; T679-A682 PolarHBondContact O-N 3.05Å; I680-A682 PolarHBondContact O-N 3.16Å |
| 683 | L | 78.7 | Confident | 82.6 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -94.9 | -20.3 | 172.2 | -65.3 | 176.5 | 0 | 0 | 0 | 112.9 | F605 L608 K618 Q621 T679 I680 | F605-L683 HydrophobicContact CD2-CD2 4.17Å; F605-L683 HydrophobicContact CE1-CD2 4.49Å; F605-L683 HydrophobicContact CE2-CD2 3.53Å; F605-L683 HydrophobicContact CE2-CG 3.83Å; F605-L683 HydrophobicContact CZ-CD1 4.41Å; F605-L683 HydrophobicContact CZ-CD2 3.73Å; F605-L683 HydrophobicContact CZ-CG 3.83Å; L608-L683 HydrophobicContact CD1-CD2 4.42Å; K618-L683 WeakPolarHBondContact CE-O 3.26Å; K618-L683 HydrophobicContact CG-CD2 4.33Å; Q621-L683 HydrophobicContact CB-CD1 4.13Å; T679-L683 HydrophobicContact CG2-CD1 3.96Å; T679-L683 HydrophobicContact CG2-CG 4.5Å; T679-L683 WeakPolarHBondContact O-CG 3.34Å; T679-L683 PolarHBondContact O-N 3.37Å; I680-L683 PolarHBondContact O-N 3.39Å |
| 684 | M | 78.4 | Confident | 82.6 | Confident | 33 Ų | 33 | 54.9 Ų | 54.9 | 16% | 0.163 | 27% | 0.271 | C | S | . | . | trans | -61.1 | 137.1 | 174.1 | -77 | 177.5 | 110.9 | 0 | 0 | 111.8 | I680 R689 L693 | I680-M684 HydrophobicContact CG2-CG 4.01Å; I680-M684 HydrophobicContact CG2-SD 3.88Å; I680-M684 VanDerWaalsContact O-CG 3.28Å; I680-M684 WeakPolarHBondContact O-CG 3.46Å; I680-M684 PolarHBondContact O-N 3.14Å; M684-R689 HydrophobicContact CE-CB 4.08Å; M684-R689 HydrophobicContact CE-CG 3.56Å; M684-L693 HydrophobicContact SD-CD2 4.29Å | ||
| 685 | E | 72.5 | Confident | 82.5 | Confident | 171 Ų | 171 | 57.1 Ų | 57.1 | 80% | 0.799 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -76.7 | -26.7 | -178.4 | -50.6 | -164.1 | 151 | 0 | 0 | 112.5 | K618 | K618-E685 IonicContact NZ-OE1 2.69Å; K618-E685 PolarHBondContact NZ-OE1 3.03Å |
| 686 | E | 77.1 | Confident | 82.6 | Confident | 120 Ų | 120 | 50.4 Ų | 50.4 | 56% | 0.561 | 25% | 0.254 | S | S | * | . | trans | -95.6 | 103.3 | 177.1 | -64.8 | 178.3 | 160.7 | 0 | 0 | 111.1 | E688 R689 G690 | E686-E688 PolarHBondContact O-N 3.27Å; E686-R689 HydrophobicContact CB-CB 3.9Å; E686-R689 PolarHBondContact O-N 3.48Å; E686-R689 VanDerWaalsContact O-N 3.1Å; E686-R689 WeakPolarHBondContact OE2-CD 3.49Å; E686-G690 PolarHBondContact O-N 3.44Å; E686-G690 VanDerWaalsContact O-N 3.1Å | ||
| 687 | E | 75.6 | Confident | 82.8 | Confident | 127 Ų | 127 | 50.3 Ų | 50.3 | 59% | 0.593 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -55.9 | -35.6 | 177 | -81.9 | -147.2 | 113.2 | 0 | 0 | 113 | K602 R689 G690 N691 | K602-E687 IonicContact NZ-OE1 3.81Å; K602-E687 PolarHBondContact NZ-OE1 3.41Å; E687-R689 PolarHBondContact O-N 2.93Å; E687-G690 PolarHBondContact O-N 3.04Å; E687-N691 WeakPolarHBondContact O-CB 3.39Å; E687-N691 VanDerWaalsContact O-CG 3.26Å; E687-N691 PolarHBondContact O-N 3.09Å; E687-N691 PolarHBondContact O-ND2 3.39Å |
| 688 | E | 81.1 | Confident | 82.9 | Confident | 156 Ų | 156 | 53.8 Ų | 53.8 | 73% | 0.729 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.2 | -41.8 | 177.9 | -67.4 | -163.1 | 163.7 | 0 | 0 | 111.9 | E686 N691 N692 | E686-E688 PolarHBondContact O-N 3.27Å; E688-N691 PolarHBondContact O-N 2.84Å; E688-N692 WeakPolarHBondContact O-CB 3.43Å; E688-N692 PolarHBondContact O-N 3.15Å; E688-N692 PolarHBondContact O-ND2 3Å |
| 689 | R | 81.1 | Confident | 83.1 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 25% | 0.249 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 179.4 | -161.2 | 176.4 | 162.8 | 178.9 | -5.2 | 111.1 | M684 E686 E687 N692 L693 T739 I740 | M684-R689 HydrophobicContact CE-CB 4.08Å; M684-R689 HydrophobicContact CE-CG 3.56Å; E686-R689 HydrophobicContact CB-CB 3.9Å; E686-R689 PolarHBondContact O-N 3.48Å; E686-R689 VanDerWaalsContact O-N 3.1Å; E686-R689 WeakPolarHBondContact OE2-CD 3.49Å; E687-R689 PolarHBondContact O-N 2.93Å; R689-N692 PolarHBondContact O-N 3.46Å; R689-L693 WeakPolarHBondContact O-CB 3.48Å; R689-L693 PolarHBondContact O-N 3.15Å; R689-T739 PolarHBondContact NE-O 3.03Å; R689-T739 PolarHBondContact NH2-O 3.07Å; R689-T739 VanDerWaalsContact NH2-O 3.13Å; R689-I740 PolarHBondContact NH2-O 3.04Å; R689-I740 VanDerWaalsContact NH2-O 3.14Å |
| 690 | G | 82.2 | Confident | 83.4 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E686 E687 L693 L694 | E686-G690 PolarHBondContact O-N 3.44Å; E686-G690 VanDerWaalsContact O-N 3.1Å; E687-G690 PolarHBondContact O-N 3.04Å; G690-L693 PolarHBondContact O-N 3.06Å; G690-L694 WeakPolarHBondContact O-CG 3.47Å; G690-L694 PolarHBondContact O-N 2.97Å |
| 691 | N | 84.5 | Confident | 83.6 | Confident | 74 Ų | 74 | 55.2 Ų | 55.2 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 175.8 | -74 | -46.4 | 0 | 0 | 0 | 112.5 | E687 E688 L694 E695 | E687-N691 WeakPolarHBondContact O-CB 3.39Å; E687-N691 VanDerWaalsContact O-CG 3.26Å; E687-N691 PolarHBondContact O-N 3.09Å; E687-N691 PolarHBondContact O-ND2 3.39Å; E688-N691 PolarHBondContact O-N 2.84Å; N691-L694 PolarHBondContact O-N 3.39Å; N691-E695 PolarHBondContact O-N 3.21Å |
| 692 | N | 86.1 | Confident | 83.9 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 175.2 | -74.6 | -30.5 | 0 | 0 | 0 | 111.8 | E688 R689 E695 A696 T739 | E688-N692 WeakPolarHBondContact O-CB 3.43Å; E688-N692 PolarHBondContact O-N 3.15Å; E688-N692 PolarHBondContact O-ND2 3Å; R689-N692 PolarHBondContact O-N 3.46Å; N692-E695 PolarHBondContact O-N 3.44Å; N692-A696 PolarHBondContact O-N 3.28Å; N692-T739 HydrophobicContact CB-CG2 4.23Å |
| 693 | L | 86.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.1 | -50.5 | 173.2 | 177.1 | 59.2 | 0 | 0 | 0 | 111.4 | V677 I680 M684 R689 G690 E695 A696 T697 M736 I740 | V677-L693 HydrophobicContact CG1-CD2 4.2Å; V677-L693 HydrophobicContact CG1-CG 3.95Å; I680-L693 HydrophobicContact CB-CD2 4.25Å; I680-L693 HydrophobicContact CG2-CD2 3.77Å; M684-L693 HydrophobicContact SD-CD2 4.29Å; R689-L693 WeakPolarHBondContact O-CB 3.48Å; R689-L693 PolarHBondContact O-N 3.15Å; G690-L693 PolarHBondContact O-N 3.06Å; L693-E695 VanDerWaalsContact C-N 3.26Å; L693-E695 PolarHBondContact O-N 3.24Å; L693-A696 PolarHBondContact O-N 2.71Å; L693-A696 VanDerWaalsContact O-N 3.15Å; L693-T697 PolarHBondContact O-N 3.4Å; L693-T697 PolarHBondContact O-OG1 3.37Å; L693-T697 VanDerWaalsContact O-OG1 3.05Å; L693-M736 HydrophobicContact CD1-CG 3.61Å; L693-I740 HydrophobicContact CD1-CD1 4.07Å; L693-I740 HydrophobicContact CD1-CG1 3.58Å; L693-I740 HydrophobicContact CD2-CG1 4.02Å; L693-I740 HydrophobicContact CG-CG1 4.46Å |
| 694 | L | 86.5 | Confident | 84.7 | Confident | 22 Ų | 22 | 58 Ų | 58 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.5 | -37.8 | 176.8 | -70 | 169.2 | 0 | 0 | 0 | 112.4 | L599 V677 K678 A681 G690 N691 R698 | L599-L694 HydrophobicContact CD2-CD2 3.89Å; V677-L694 HydrophobicContact CG1-CD2 4.02Å; K678-L694 HydrophobicContact CG-CD2 4.13Å; A681-L694 HydrophobicContact CB-CD1 4.11Å; A681-L694 HydrophobicContact CB-CD2 4.24Å; A681-L694 HydrophobicContact CB-CG 3.92Å; G690-L694 WeakPolarHBondContact O-CG 3.47Å; G690-L694 PolarHBondContact O-N 2.97Å; N691-L694 PolarHBondContact O-N 3.39Å; L694-R698 WeakPolarHBondContact O-CG 3.3Å; L694-R698 PolarHBondContact O-N 2.79Å |
| 695 | E | 87 | Confident | 85.2 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -71.6 | -38.3 | 176.4 | 178.4 | 59.8 | -172.3 | 0 | 0 | 113.2 | N691 N692 L693 R698 K699 | N691-E695 PolarHBondContact O-N 3.21Å; N692-E695 PolarHBondContact O-N 3.44Å; L693-E695 VanDerWaalsContact C-N 3.26Å; L693-E695 PolarHBondContact O-N 3.24Å; E695-R698 PolarHBondContact O-N 2.92Å; E695-R698 IonicContact OE2-CZ 3.25Å; E695-R698 VanDerWaalsContact OE2-CZ 3.25Å; E695-R698 IonicContact OE2-NE 2.77Å; E695-R698 PolarHBondContact OE2-NE 3.48Å; E695-R698 VanDerWaalsContact OE2-NE 3.08Å; E695-R698 IonicContact OE2-NH2 2.66Å; E695-R698 PolarHBondContact OE2-NH2 3.45Å; E695-K699 WeakPolarHBondContact O-CG 3.44Å; E695-K699 PolarHBondContact O-N 3Å; E695-K699 VanDerWaalsContact O-N 3.12Å; E695-K699 WeakPolarHBondContact OE1-CE 3.38Å; E695-K699 IonicContact OE1-NZ 3.31Å; E695-K699 PolarHBondContact OE1-NZ 3.13Å |
| 696 | A | 86.5 | Confident | 85.8 | Confident | 12 Ų | 12 | 54 Ų | 54 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | N692 L693 R698 K699 L700 M736 | N692-A696 PolarHBondContact O-N 3.28Å; L693-A696 PolarHBondContact O-N 2.71Å; L693-A696 VanDerWaalsContact O-N 3.15Å; A696-R698 PolarHBondContact O-N 2.97Å; A696-K699 WeakPolarHBondContact O-CB 3.34Å; A696-K699 PolarHBondContact O-N 3.45Å; A696-L700 PolarHBondContact O-N 2.86Å; A696-M736 HydrophobicContact CB-CB 4.33Å; A696-M736 HydrophobicContact CB-CG 4.49Å |
| 697 | T | 89.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 177.6 | -47.6 | 0 | 0 | 0 | 0 | 112.4 | L599 M673 T674 V677 L693 K699 L700 C701 M736 | L599-T697 HydrophobicContact CD1-CG2 3.84Å; L599-T697 HydrophobicContact CD2-CG2 4.39Å; M673-T697 HydrophobicContact CE-CG2 3.78Å; T674-T697 HydrophobicContact CG2-CG2 4.16Å; V677-T697 HydrophobicContact CG1-CG2 4.46Å; V677-T697 HydrophobicContact CG2-CG2 4.38Å; L693-T697 PolarHBondContact O-N 3.4Å; L693-T697 PolarHBondContact O-OG1 3.37Å; L693-T697 VanDerWaalsContact O-OG1 3.05Å; T697-K699 VanDerWaalsContact C-N 3.33Å; T697-K699 PolarHBondContact O-N 3.01Å; T697-L700 WeakPolarHBondContact O-CB 3.43Å; T697-L700 PolarHBondContact O-N 3.06Å; T697-C701 PolarHBondContact O-N 3.35Å; T697-C701 PolarHBondContact O-SG 2.91Å; T697-C701 VanDerWaalsContact O-SG 3.37Å; T697-M736 HydrophobicContact CG2-SD 4.01Å; T697-M736 PolarHBondContact OG1-SD 2.85Å |
| 698 | R | 89.2 | Confident | 86.8 | Confident | 73 Ų | 73 | 42.3 Ų | 42.3 | 28% | 0.275 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62 | -38.5 | 173 | -73.6 | -168.8 | -58.2 | -160.5 | -1.9 | 112.7 | E596 L599 L694 E695 A696 C701 R702 | E596-R698 HydrophobicContact CG-CB 4.45Å; E596-R698 HydrophobicContact CG-CG 4.16Å; L599-R698 HydrophobicContact CB-CG 4.21Å; L599-R698 HydrophobicContact CD1-CG 3.82Å; L694-R698 WeakPolarHBondContact O-CG 3.3Å; L694-R698 PolarHBondContact O-N 2.79Å; E695-R698 PolarHBondContact O-N 2.92Å; E695-R698 IonicContact OE2-CZ 3.25Å; E695-R698 VanDerWaalsContact OE2-CZ 3.25Å; E695-R698 IonicContact OE2-NE 2.77Å; E695-R698 PolarHBondContact OE2-NE 3.48Å; E695-R698 VanDerWaalsContact OE2-NE 3.08Å; E695-R698 IonicContact OE2-NH2 2.66Å; E695-R698 PolarHBondContact OE2-NH2 3.45Å; A696-R698 PolarHBondContact O-N 2.97Å; R698-C701 PolarHBondContact O-N 3.17Å; R698-R702 WeakPolarHBondContact O-CG 3.35Å; R698-R702 PolarHBondContact O-N 3.45Å |
| 699 | K | 89.7 | Confident | 86.9 | Confident | 84 Ų | 84 | 36.2 Ų | 36.2 | 37% | 0.365 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.9 | -39.3 | 174.7 | -72.6 | 167.4 | 179.1 | 152 | 0 | 111.9 | E695 A696 T697 R702 A703 F732 | E695-K699 WeakPolarHBondContact O-CG 3.44Å; E695-K699 PolarHBondContact O-N 3Å; E695-K699 VanDerWaalsContact O-N 3.12Å; E695-K699 WeakPolarHBondContact OE1-CE 3.38Å; E695-K699 IonicContact OE1-NZ 3.31Å; E695-K699 PolarHBondContact OE1-NZ 3.13Å; A696-K699 WeakPolarHBondContact O-CB 3.34Å; A696-K699 PolarHBondContact O-N 3.45Å; T697-K699 VanDerWaalsContact C-N 3.33Å; T697-K699 PolarHBondContact O-N 3.01Å; K699-R702 PolarHBondContact O-N 2.99Å; K699-A703 PolarHBondContact O-N 2.76Å; K699-F732 HydrophobicContact CB-CD1 3.83Å; K699-F732 HydrophobicContact CB-CD2 4.34Å; K699-F732 HydrophobicContact CB-CE1 3.91Å; K699-F732 HydrophobicContact CB-CE2 4.41Å; K699-F732 HydrophobicContact CB-CG 4.07Å; K699-F732 HydrophobicContact CB-CZ 4.21Å; K699-F732 HydrophobicContact CD-CD1 4.39Å; K699-F732 HydrophobicContact CD-CE1 4.01Å; K699-F732 HydrophobicContact CG-CE1 4.4Å |
| 700 | L | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -48.2 | 173.6 | -179.7 | 61.1 | 0 | 0 | 0 | 111.8 | L633 M673 A696 T697 R702 A703 I704 V729 F732 M736 | L633-L700 HydrophobicContact CD2-CD2 3.59Å; M673-L700 HydrophobicContact CE-CD2 4.16Å; M673-L700 HydrophobicContact SD-CD2 4.07Å; A696-L700 PolarHBondContact O-N 2.86Å; T697-L700 WeakPolarHBondContact O-CB 3.43Å; T697-L700 PolarHBondContact O-N 3.06Å; L700-R702 VanDerWaalsContact C-N 3.3Å; L700-R702 PolarHBondContact O-N 3.24Å; L700-A703 PolarHBondContact O-N 3.41Å; L700-A703 VanDerWaalsContact O-N 3.15Å; L700-I704 HydrophobicContact CD1-CD1 4.1Å; L700-I704 HydrophobicContact CD1-CG1 4.4Å; L700-I704 HydrophobicContact CG-CD1 3.99Å; L700-I704 WeakPolarHBondContact O-CG1 3.44Å; L700-I704 PolarHBondContact O-N 3.16Å; L700-V729 HydrophobicContact CD1-CB 4.47Å; L700-V729 HydrophobicContact CD1-CG1 3.73Å; L700-F732 HydrophobicContact CB-CB 4.13Å; L700-F732 HydrophobicContact CD1-CB 4.22Å; L700-M736 HydrophobicContact CD2-SD 3.98Å |
| 701 | C | 89.1 | Confident | 87 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.1 | -44.7 | 175.1 | -69.1 | 0 | 0 | 0 | 0 | 112 | V592 E596 T697 R698 I704 T705 | V592-C701 HydrophobicContact CG1-CB 3.77Å; V592-C701 WeakPolarHBondContact CG1-O 3.45Å; E596-C701 HydrophobicContact CB-CB 4.42Å; T697-C701 PolarHBondContact O-N 3.35Å; T697-C701 PolarHBondContact O-SG 2.91Å; T697-C701 VanDerWaalsContact O-SG 3.37Å; R698-C701 PolarHBondContact O-N 3.17Å; C701-I704 PolarHBondContact O-N 3.33Å; C701-T705 PolarHBondContact O-N 3.13Å; C701-T705 PolarHBondContact O-OG1 3.45Å; C701-T705 VanDerWaalsContact O-OG1 3.11Å |
| 702 | R | 88.8 | Confident | 86.6 | Confident | 124 Ų | 124 | 32 Ų | 32 | 47% | 0.468 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.3 | -40.7 | 177.2 | -67.9 | 177.4 | -172.5 | 164.1 | 5.8 | 113.2 | E596 R698 K699 L700 I704 T705 D706 | E596-R702 IonicContact OE1-CZ 3.22Å; E596-R702 VanDerWaalsContact OE1-CZ 3.22Å; E596-R702 IonicContact OE1-NE 2.66Å; E596-R702 PolarHBondContact OE1-NE 2.95Å; E596-R702 IonicContact OE1-NH2 2.69Å; E596-R702 PolarHBondContact OE1-NH2 2.91Å; E596-R702 VanDerWaalsContact OE2-CG 3.32Å; E596-R702 WeakPolarHBondContact OE2-CG 3.4Å; E596-R702 IonicContact OE2-NE 2.72Å; E596-R702 PolarHBondContact OE2-NE 3.33Å; R698-R702 WeakPolarHBondContact O-CG 3.35Å; R698-R702 PolarHBondContact O-N 3.45Å; K699-R702 PolarHBondContact O-N 2.99Å; L700-R702 VanDerWaalsContact C-N 3.3Å; L700-R702 PolarHBondContact O-N 3.24Å; R702-I704 VanDerWaalsContact C-N 3.28Å; R702-I704 PolarHBondContact O-N 3.11Å; R702-T705 PolarHBondContact O-N 3.48Å; R702-D706 PolarHBondContact O-N 3.49Å |
| 703 | A | 88.4 | Confident | 85.9 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.4 | -34.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K699 L700 M707 R728 V729 F732 | K699-A703 PolarHBondContact O-N 2.76Å; L700-A703 PolarHBondContact O-N 3.41Å; L700-A703 VanDerWaalsContact O-N 3.15Å; A703-M707 WeakPolarHBondContact O-CB 3.21Å; A703-M707 PolarHBondContact O-N 2.97Å; A703-R728 HydrophobicContact CB-CB 4.28Å; A703-V729 HydrophobicContact CB-CG2 4.08Å; A703-F732 HydrophobicContact CB-CD2 3.74Å; A703-F732 HydrophobicContact CB-CE2 4.12Å |
| 704 | I | 88.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.1 | -42.6 | 173.5 | -65.6 | 166 | 0 | 0 | 0 | 110.8 | V592 M636 I666 I670 L700 C701 R702 D706 M707 L708 V729 | V592-I704 HydrophobicContact CG2-CG2 4.34Å; M636-I704 HydrophobicContact CE-CD1 3.37Å; I666-I704 HydrophobicContact CG2-CG2 3.74Å; I670-I704 HydrophobicContact CD1-CD1 3.85Å; I670-I704 HydrophobicContact CD1-CG2 4.04Å; I670-I704 HydrophobicContact CG1-CD1 4.36Å; L700-I704 HydrophobicContact CD1-CD1 4.1Å; L700-I704 HydrophobicContact CD1-CG1 4.4Å; L700-I704 HydrophobicContact CG-CD1 3.99Å; L700-I704 WeakPolarHBondContact O-CG1 3.44Å; L700-I704 PolarHBondContact O-N 3.16Å; C701-I704 PolarHBondContact O-N 3.33Å; R702-I704 VanDerWaalsContact C-N 3.28Å; R702-I704 PolarHBondContact O-N 3.11Å; I704-D706 PolarHBondContact O-N 2.94Å; I704-M707 WeakPolarHBondContact O-CB 3.24Å; I704-M707 PolarHBondContact O-N 3.49Å; I704-M707 VanDerWaalsContact O-N 3.14Å; I704-L708 HydrophobicContact CG2-CD1 4.02Å; I704-L708 HydrophobicContact CG2-CG 4.22Å; I704-L708 WeakPolarHBondContact O-CG 3.48Å; I704-L708 PolarHBondContact O-N 3.48Å; I704-V729 HydrophobicContact CD1-CG1 4.5Å; I704-V729 HydrophobicContact CG1-CG1 3.99Å; I704-V729 HydrophobicContact CG1-CG2 4.03Å |
| 705 | T | 88.8 | Confident | 84.1 | Confident | 35 Ų | 35 | 35.8 Ų | 35.8 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 174.8 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | I589 V592 C701 R702 M707 G709 | I589-T705 HydrophobicContact CG2-CG2 4.24Å; V592-T705 WeakPolarHBondContact CG1-OG1 3.2Å; C701-T705 PolarHBondContact O-N 3.13Å; C701-T705 PolarHBondContact O-OG1 3.45Å; C701-T705 VanDerWaalsContact O-OG1 3.11Å; R702-T705 PolarHBondContact O-N 3.48Å; T705-M707 VanDerWaalsContact C-N 3.35Å; T705-M707 PolarHBondContact O-N 3.41Å; T705-G709 PolarHBondContact O-N 2.77Å |
| 706 | D | 86.2 | Confident | 83.1 | Confident | 85 Ų | 85 | 39.2 Ų | 39.2 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.1 | -46.7 | 171.5 | -82.8 | -7.8 | 0 | 0 | 0 | 111.6 | R702 I704 G709 S710 R728 | R702-D706 PolarHBondContact O-N 3.49Å; I704-D706 PolarHBondContact O-N 2.94Å; D706-G709 PolarHBondContact O-N 3.32Å; D706-S710 PolarHBondContact O-N 3.03Å; D706-R728 IonicContact OD2-CZ 3.08Å; D706-R728 IonicContact OD2-NH2 3.79Å; D706-R728 PolarHBondContact OD2-NH2 3.32Å |
| 707 | M | 87.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.9 | -51.4 | -178.6 | -170.9 | -160.6 | 75.6 | 0 | 0 | 111.6 | T640 I666 A703 I704 T705 G709 S710 V711 A725 A726 V729 | T640-M707 HydrophobicContact CG2-SD 3.71Å; I666-M707 HydrophobicContact CD1-CE 3.98Å; A703-M707 WeakPolarHBondContact O-CB 3.21Å; A703-M707 PolarHBondContact O-N 2.97Å; I704-M707 WeakPolarHBondContact O-CB 3.24Å; I704-M707 PolarHBondContact O-N 3.49Å; I704-M707 VanDerWaalsContact O-N 3.14Å; T705-M707 VanDerWaalsContact C-N 3.35Å; T705-M707 PolarHBondContact O-N 3.41Å; M707-G709 VanDerWaalsContact C-N 3.27Å; M707-G709 PolarHBondContact O-N 2.96Å; M707-S710 WeakPolarHBondContact O-CA 3.24Å; M707-S710 WeakPolarHBondContact O-CB 3.27Å; M707-S710 PolarHBondContact O-N 3.21Å; M707-S710 PolarHBondContact O-OG 3.32Å; M707-V711 WeakPolarHBondContact O-CG2 3.44Å; M707-V711 PolarHBondContact O-N 2.98Å; M707-V711 VanDerWaalsContact O-N 3.13Å; M707-A725 HydrophobicContact CB-CB 4.23Å; M707-A725 HydrophobicContact CG-CB 4.48Å; M707-A726 HydrophobicContact CG-CB 4.34Å; M707-A726 HydrophobicContact SD-CB 4.02Å; M707-V729 HydrophobicContact CB-CG2 4.46Å; M707-V729 HydrophobicContact SD-CG2 4.35Å |
| 708 | L | 86.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -39 | 177.2 | -67.4 | 178.2 | 0 | 0 | 0 | 111.6 | I589 I663 I704 S710 V711 S712 | I589-L708 HydrophobicContact CD1-CB 4.34Å; I589-L708 HydrophobicContact CG1-CB 4.09Å; I589-L708 HydrophobicContact CG1-CD1 4.2Å; I663-L708 HydrophobicContact CB-CD2 4.3Å; I663-L708 HydrophobicContact CD1-CD2 4.07Å; I663-L708 HydrophobicContact CG1-CD2 3.82Å; I663-L708 HydrophobicContact CG2-CD2 3.69Å; I704-L708 HydrophobicContact CG2-CD1 4.02Å; I704-L708 HydrophobicContact CG2-CG 4.22Å; I704-L708 WeakPolarHBondContact O-CG 3.48Å; I704-L708 PolarHBondContact O-N 3.48Å; L708-S710 VanDerWaalsContact C-N 3.29Å; L708-S710 PolarHBondContact O-N 2.97Å; L708-V711 PolarHBondContact O-N 3.41Å; L708-S712 PolarHBondContact O-N 2.96Å |
| 709 | G | 83.7 | Confident | 81.2 | Confident | 28 Ų | 28 | 46 Ų | 46 | 29% | 0.289 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.8 | -30.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T705 D706 M707 | T705-G709 PolarHBondContact O-N 2.77Å; D706-G709 PolarHBondContact O-N 3.32Å; M707-G709 VanDerWaalsContact C-N 3.27Å; M707-G709 PolarHBondContact O-N 2.96Å |
| 710 | S | 82.7 | Confident | 80.6 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -81.1 | -23.4 | 178 | 77.7 | 0 | 0 | 0 | 0 | 114.4 | D706 M707 L708 | D706-S710 PolarHBondContact O-N 3.03Å; M707-S710 WeakPolarHBondContact O-CA 3.24Å; M707-S710 WeakPolarHBondContact O-CB 3.27Å; M707-S710 PolarHBondContact O-N 3.21Å; M707-S710 PolarHBondContact O-OG 3.32Å; L708-S710 VanDerWaalsContact C-N 3.29Å; L708-S710 PolarHBondContact O-N 2.97Å |
| 711 | V | 81.4 | Confident | 80.3 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 13% | 0.127 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -85.4 | -14.8 | -179.9 | 174.5 | 0 | 0 | 0 | 0 | 112.5 | V643 T647 V659 I663 M707 L708 P713 V722 | V643-V711 HydrophobicContact CG1-CG1 4.32Å; V643-V711 HydrophobicContact CG1-CG2 4.05Å; T647-V711 HydrophobicContact CG2-CG1 4.34Å; V659-V711 HydrophobicContact CG1-CG1 4.31Å; I663-V711 HydrophobicContact CD1-CG1 4.17Å; M707-V711 WeakPolarHBondContact O-CG2 3.44Å; M707-V711 PolarHBondContact O-N 2.98Å; M707-V711 VanDerWaalsContact O-N 3.13Å; L708-V711 PolarHBondContact O-N 3.41Å; V711-P713 WeakPolarHBondContact O-CD 3.09Å; V711-V722 HydrophobicContact CG2-CG1 3.88Å |
| 712 | S | 77.2 | Confident | 80 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | trans | -59.1 | 120.9 | -176.8 | -175.1 | 0 | 0 | 0 | 0 | 113.3 | L708 G714 K715 | L708-S712 PolarHBondContact O-N 2.96Å; S712-G714 PolarHBondContact O-N 3.31Å; S712-K715 PolarHBondContact O-N 3.28Å; S712-K715 VanDerWaalsContact O-N 3.08Å | ||
| 713 | P | 71.1 | Confident | 79.8 | Confident | 41 Ų | 41 | 47.1 Ų | 47.1 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -15 | -179.8 | 24.8 | -33.4 | 0 | 0 | 0 | 113.4 | M574 I582 V711 K715 | M574-P713 HydrophobicContact CE-CB 4.35Å; I582-P713 HydrophobicContact CD1-CG 4.24Å; I582-P713 HydrophobicContact CG1-CG 3.98Å; V711-P713 WeakPolarHBondContact O-CD 3.09Å; P713-K715 VanDerWaalsContact C-N 3.3Å; P713-K715 PolarHBondContact O-N 2.94Å |
| 714 | G | 66.8 | Low | 79.6 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 25% | 0.247 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -3.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | S712 | S712-G714 PolarHBondContact O-N 3.31Š|
| 715 | K | 69.6 | Low | 79.4 | Confident | 133 Ų | 133 | 49.5 Ų | 49.5 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -147.4 | 80.3 | 176.2 | -68.5 | -178.8 | -175.5 | 170.4 | 0 | 110.4 | S712 P713 Q717 | S712-K715 PolarHBondContact O-N 3.28Å; S712-K715 VanDerWaalsContact O-N 3.08Å; P713-K715 VanDerWaalsContact C-N 3.3Å; P713-K715 PolarHBondContact O-N 2.94Å; K715-Q717 PolarHBondContact O-N 3.05Å |
| 716 | P | 64.9 | Low | 79.3 | Confident | 127 Ų | 127 | 47.8 Ų | 47.8 | 83% | 0.825 | 28% | 0.277 | S | S | * | . | trans | -60.9 | 113.3 | -178.3 | 24.4 | -34 | 0 | 0 | 0 | 111.6 | ||||
| 717 | Q | 72.6 | Confident | 79.2 | Confident | 82 Ų | 82 | 43.9 Ų | 43.9 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | trans | -100.3 | 152.2 | 172.8 | -66 | -167.6 | 15.4 | 0 | 0 | 110.6 | K715 | K715-Q717 PolarHBondContact O-N 3.05Š| ||
| 718 | P | 74.6 | Confident | 79.2 | Confident | 89 Ų | 89 | 48.5 Ų | 48.5 | 58% | 0.578 | 27% | 0.274 | S | S | * | . | trans | -63.6 | 140.3 | 176.1 | 25.3 | -31.5 | 0 | 0 | 0 | 110.9 | Q720 T721 | P718-Q720 PolarHBondContact O-N 3.35Å; P718-T721 WeakPolarHBondContact O-CB 3.42Å; P718-T721 PolarHBondContact O-N 3.33Å; P718-T721 PolarHBondContact O-OG1 2.96Å | ||
| 719 | R | 77.4 | Confident | 79.3 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 21% | 0.208 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -51.1 | -37 | -170.7 | -171 | 67 | -173.7 | 154.3 | -1.7 | 114.2 | I644 T647 T721 V722 L723 | I644-R719 PolarHBondContact O-NH2 2.89Å; T647-R719 VanDerWaalsContact C-NH2 3.3Å; T647-R719 PolarHBondContact O-NH1 3.16Å; T647-R719 PolarHBondContact O-NH2 2.97Å; T647-R719 VanDerWaalsContact OG1-CZ 3.27Å; T647-R719 PolarHBondContact OG1-NH1 3.4Å; T647-R719 PolarHBondContact OG1-NH2 3.42Å; R719-T721 PolarHBondContact O-N 3.41Å; R719-V722 PolarHBondContact O-N 3.48Å; R719-V722 VanDerWaalsContact O-N 3.15Å; R719-L723 HydrophobicContact CG-CD1 4.41Å; R719-L723 WeakPolarHBondContact O-CG 3.12Å; R719-L723 PolarHBondContact O-N 2.77Å; R719-L723 VanDerWaalsContact O-N 3.08Å |
| 720 | Q | 77.8 | Confident | 79.3 | Confident | 146 Ų | 146 | 47.4 Ų | 47.4 | 68% | 0.682 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.7 | -30.7 | 177.7 | -70.6 | 174.5 | -20.8 | 0 | 0 | 113.1 | P718 A724 | P718-Q720 PolarHBondContact O-N 3.35Å; Q720-A724 VanDerWaalsContact O-CB 3.22Å; Q720-A724 WeakPolarHBondContact O-CB 3.29Å; Q720-A724 PolarHBondContact O-N 3.46Å |
| 721 | T | 82.8 | Confident | 79.4 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 36% | 0.362 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.9 | -39.2 | 176 | -49.1 | 0 | 0 | 0 | 0 | 111.6 | P718 R719 A724 A725 | P718-T721 WeakPolarHBondContact O-CB 3.42Å; P718-T721 PolarHBondContact O-N 3.33Å; P718-T721 PolarHBondContact O-OG1 2.96Å; R719-T721 PolarHBondContact O-N 3.41Å; T721-A724 PolarHBondContact O-N 3.49Å; T721-A725 WeakPolarHBondContact O-CB 3.05Å; T721-A725 PolarHBondContact O-N 3.14Å |
| 722 | V | 82.6 | Confident | 79.7 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.7 | -46.8 | 174.9 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | V711 R719 A724 A725 A726 | V711-V722 HydrophobicContact CG2-CG1 3.88Å; R719-V722 PolarHBondContact O-N 3.48Å; R719-V722 VanDerWaalsContact O-N 3.15Å; V722-A724 VanDerWaalsContact C-N 3.34Å; V722-A724 PolarHBondContact O-N 3.13Å; V722-A725 PolarHBondContact O-N 3.28Å; V722-A726 WeakPolarHBondContact O-CB 3.15Å; V722-A726 PolarHBondContact O-N 2.97Å |
| 723 | L | 84.7 | Confident | 80.1 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 176.4 | -62.8 | 177.6 | 0 | 0 | 0 | 112.3 | I644 R719 G727 A804 | I644-L723 HydrophobicContact CG1-CD2 4.43Å; I644-L723 HydrophobicContact CG2-CD2 3.64Å; R719-L723 HydrophobicContact CG-CD1 4.41Å; R719-L723 WeakPolarHBondContact O-CG 3.12Å; R719-L723 PolarHBondContact O-N 2.77Å; R719-L723 VanDerWaalsContact O-N 3.08Å; L723-G727 PolarHBondContact O-N 2.91Å; L723-A804 HydrophobicContact CB-CB 4.23Å; L723-A804 HydrophobicContact CD2-CB 3.84Å |
| 724 | A | 84.8 | Confident | 80.8 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.8 | -37.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q720 T721 V722 G727 R728 | Q720-A724 VanDerWaalsContact O-CB 3.22Å; Q720-A724 WeakPolarHBondContact O-CB 3.29Å; Q720-A724 PolarHBondContact O-N 3.46Å; T721-A724 PolarHBondContact O-N 3.49Å; V722-A724 VanDerWaalsContact C-N 3.34Å; V722-A724 PolarHBondContact O-N 3.13Å; A724-G727 PolarHBondContact O-N 2.89Å; A724-R728 PolarHBondContact O-N 3.34Å |
| 725 | A | 84.9 | Confident | 81.6 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | M707 T721 V722 G727 R728 V729 | M707-A725 HydrophobicContact CB-CB 4.23Å; M707-A725 HydrophobicContact CG-CB 4.48Å; T721-A725 WeakPolarHBondContact O-CB 3.05Å; T721-A725 PolarHBondContact O-N 3.14Å; V722-A725 PolarHBondContact O-N 3.28Å; A725-G727 VanDerWaalsContact C-N 3.33Å; A725-G727 PolarHBondContact O-N 3.21Å; A725-R728 WeakPolarHBondContact O-CB 3.24Å; A725-R728 PolarHBondContact O-N 3.13Å; A725-R728 VanDerWaalsContact O-N 3.13Å; A725-V729 PolarHBondContact O-N 2.84Å |
| 726 | A | 85.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T640 I644 M707 V722 R728 V729 G730 V808 | T640-A726 HydrophobicContact CG2-CB 3.85Å; I644-A726 HydrophobicContact CD1-CB 3.52Å; I644-A726 HydrophobicContact CG1-CB 3.94Å; M707-A726 HydrophobicContact CG-CB 4.34Å; M707-A726 HydrophobicContact SD-CB 4.02Å; V722-A726 WeakPolarHBondContact O-CB 3.15Å; V722-A726 PolarHBondContact O-N 2.97Å; A726-R728 VanDerWaalsContact C-N 3.28Å; A726-R728 PolarHBondContact O-N 3.04Å; A726-V729 VanDerWaalsContact O-CB 3.3Å; A726-V729 WeakPolarHBondContact O-CB 3.12Å; A726-V729 PolarHBondContact O-N 3.38Å; A726-G730 PolarHBondContact O-N 3.17Å; A726-V808 WeakPolarHBondContact O-CG2 3.31Å |
| 727 | G | 85.7 | Confident | 83.2 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.3 | -37.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L723 A724 A725 V729 G730 D731 | L723-G727 PolarHBondContact O-N 2.91Å; A724-G727 PolarHBondContact O-N 2.89Å; A725-G727 VanDerWaalsContact C-N 3.33Å; A725-G727 PolarHBondContact O-N 3.21Å; G727-V729 VanDerWaalsContact C-N 3.32Å; G727-V729 PolarHBondContact O-N 3.36Å; G727-G730 PolarHBondContact O-N 3.39Å; G727-D731 VanDerWaalsContact O-CG 3.28Å; G727-D731 PolarHBondContact O-N 2.91Å; G727-D731 VanDerWaalsContact O-N 3.09Å |
| 728 | R | 86.3 | Confident | 83.6 | Confident | 99 Ų | 99 | 42.1 Ų | 42.1 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.8 | -31.1 | 173.7 | -66.6 | -163.3 | -64 | -95.9 | 12.5 | 113 | A703 D706 A724 A725 A726 D731 F732 | A703-R728 HydrophobicContact CB-CB 4.28Å; D706-R728 IonicContact OD2-CZ 3.08Å; D706-R728 IonicContact OD2-NH2 3.79Å; D706-R728 PolarHBondContact OD2-NH2 3.32Å; A724-R728 PolarHBondContact O-N 3.34Å; A725-R728 WeakPolarHBondContact O-CB 3.24Å; A725-R728 PolarHBondContact O-N 3.13Å; A725-R728 VanDerWaalsContact O-N 3.13Å; A726-R728 VanDerWaalsContact C-N 3.28Å; A726-R728 PolarHBondContact O-N 3.04Å; R728-D731 PolarHBondContact O-N 3.4Å; R728-F732 HydrophobicContact CB-CD2 4.43Å; R728-F732 HydrophobicContact CB-CE2 4.26Å; R728-F732 WeakPolarHBondContact O-CD2 3.33Å; R728-F732 PolarHBondContact O-N 2.93Å |
| 729 | V | 87.4 | Confident | 83.9 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | 173.9 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | L700 A703 I704 M707 A725 A726 G727 D731 F732 S733 | L700-V729 HydrophobicContact CD1-CB 4.47Å; L700-V729 HydrophobicContact CD1-CG1 3.73Å; A703-V729 HydrophobicContact CB-CG2 4.08Å; I704-V729 HydrophobicContact CD1-CG1 4.5Å; I704-V729 HydrophobicContact CG1-CG1 3.99Å; I704-V729 HydrophobicContact CG1-CG2 4.03Å; M707-V729 HydrophobicContact CB-CG2 4.46Å; M707-V729 HydrophobicContact SD-CG2 4.35Å; A725-V729 PolarHBondContact O-N 2.84Å; A726-V729 VanDerWaalsContact O-CB 3.3Å; A726-V729 WeakPolarHBondContact O-CB 3.12Å; A726-V729 PolarHBondContact O-N 3.38Å; G727-V729 VanDerWaalsContact C-N 3.32Å; G727-V729 PolarHBondContact O-N 3.36Å; V729-D731 PolarHBondContact O-N 3.08Å; V729-F732 PolarHBondContact O-N 3.1Å; V729-S733 WeakPolarHBondContact O-CB 3.15Å; V729-S733 PolarHBondContact O-N 3.07Å; V729-S733 PolarHBondContact O-OG 3.46Å; V729-S733 VanDerWaalsContact O-OG 3.05Å |
| 730 | G | 85 | Confident | 83.9 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.7 | -47.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A726 G727 F732 S733 H734 | A726-G730 PolarHBondContact O-N 3.17Å; G727-G730 PolarHBondContact O-N 3.39Å; G730-F732 PolarHBondContact O-N 3.4Å; G730-S733 PolarHBondContact O-N 3.16Å; G730-H734 PolarHBondContact O-N 2.97Å |
| 731 | D | 84.3 | Confident | 83.6 | Confident | 70 Ų | 70 | 34.4 Ų | 34.4 | 37% | 0.374 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.3 | -43.1 | 179.6 | -61.9 | -30.3 | 0 | 0 | 0 | 112.5 | G727 R728 V729 A735 R807 | G727-D731 VanDerWaalsContact O-CG 3.28Å; G727-D731 PolarHBondContact O-N 2.91Å; G727-D731 VanDerWaalsContact O-N 3.09Å; R728-D731 PolarHBondContact O-N 3.4Å; V729-D731 PolarHBondContact O-N 3.08Å; D731-A735 PolarHBondContact O-N 3.45Å; D731-A735 VanDerWaalsContact O-N 3.15Å; D731-R807 IonicContact OD1-CZ 3.75Å; D731-R807 IonicContact OD1-NE 2.67Å; D731-R807 IonicContact OD1-NH2 3.59Å; D731-R807 PolarHBondContact OD1-NH2 3.25Å; D731-R807 IonicContact OD2-CZ 2.61Å; D731-R807 IonicContact OD2-NH2 3.83Å; D731-R807 PolarHBondContact OD2-NH2 3.02Å |
| 732 | F | 88 | Confident | 82.6 | Confident | 64 Ų | 64 | 38.6 Ų | 38.6 | 28% | 0.281 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -77.6 | -30.6 | 178.6 | -66.8 | -54.1 | 0 | 0 | 0 | 113.4 | K699 L700 A703 R728 V729 G730 A735 M736 | K699-F732 HydrophobicContact CB-CD1 3.83Å; K699-F732 HydrophobicContact CB-CD2 4.34Å; K699-F732 HydrophobicContact CB-CE1 3.91Å; K699-F732 HydrophobicContact CB-CE2 4.41Å; K699-F732 HydrophobicContact CB-CG 4.07Å; K699-F732 HydrophobicContact CB-CZ 4.21Å; K699-F732 HydrophobicContact CD-CD1 4.39Å; K699-F732 HydrophobicContact CD-CE1 4.01Å; K699-F732 HydrophobicContact CG-CE1 4.4Å; L700-F732 HydrophobicContact CB-CB 4.13Å; L700-F732 HydrophobicContact CD1-CB 4.22Å; A703-F732 HydrophobicContact CB-CD2 3.74Å; A703-F732 HydrophobicContact CB-CE2 4.12Å; R728-F732 HydrophobicContact CB-CD2 4.43Å; R728-F732 HydrophobicContact CB-CE2 4.26Å; R728-F732 WeakPolarHBondContact O-CD2 3.33Å; R728-F732 PolarHBondContact O-N 2.93Å; V729-F732 PolarHBondContact O-N 3.1Å; G730-F732 PolarHBondContact O-N 3.4Å; F732-A735 PolarHBondContact O-N 3.4Å; F732-M736 WeakPolarHBondContact O-CB 3.28Å; F732-M736 PolarHBondContact O-N 3.02Å |
| 733 | S | 86.3 | Confident | 81.4 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 169.4 | -66.5 | 0 | 0 | 0 | 0 | 111.3 | V729 G730 M736 I737 | V729-S733 WeakPolarHBondContact O-CB 3.15Å; V729-S733 PolarHBondContact O-N 3.07Å; V729-S733 PolarHBondContact O-OG 3.46Å; V729-S733 VanDerWaalsContact O-OG 3.05Å; G730-S733 PolarHBondContact O-N 3.16Å; S733-M736 WeakPolarHBondContact O-CB 3.47Å; S733-M736 PolarHBondContact O-N 3.37Å; S733-I737 PolarHBondContact O-N 3.13Å |
| 734 | H | 83.9 | Confident | 80.3 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 26% | 0.259 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -44 | 175.6 | -173.3 | 75.8 | 0 | 0 | 0 | 112 | G730 M736 I737 Q738 Q751 P811 | G730-H734 PolarHBondContact O-N 2.97Å; H734-M736 VanDerWaalsContact C-N 3.28Å; H734-M736 PolarHBondContact O-N 2.92Å; H734-I737 PolarHBondContact O-N 2.88Å; H734-Q738 PolarHBondContact CD2-NE2 2.93Å; H734-Q738 PolarHBondContact NE2-NE2 3.36Å; H734-Q738 WeakPolarHBondContact O-CG 3.37Å; H734-Q738 PolarHBondContact O-N 3.43Å; H734-Q751 PolarHBondContact CE1-OE1 3.16Å; H734-Q751 VanDerWaalsContact CE1-OE1 3.28Å; H734-P811 HydrophobicContact CB-CB 3.84Å; H734-P811 HydrophobicContact CB-CG 4.19Å |
| 735 | A | 83.7 | Confident | 79.3 | Confident | 37 Ų | 37 | 51 Ų | 51 | 31% | 0.306 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -32.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D731 F732 T739 | D731-A735 PolarHBondContact O-N 3.45Å; D731-A735 VanDerWaalsContact O-N 3.15Å; F732-A735 PolarHBondContact O-N 3.4Å; A735-T739 PolarHBondContact O-N 2.85Å; A735-T739 PolarHBondContact O-OG1 2.91Å |
| 736 | M | 86.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.3 | -44.6 | 175.4 | -161.9 | -178.9 | 115.6 | 0 | 0 | 111.5 | V629 L633 M673 V677 L693 A696 T697 L700 F732 S733 H734 T739 I740 | V629-M736 HydrophobicContact CG1-CE 3.21Å; L633-M736 HydrophobicContact CD1-CE 3.67Å; L633-M736 HydrophobicContact CD1-SD 4.38Å; L633-M736 HydrophobicContact CD2-CE 4.18Å; L633-M736 HydrophobicContact CD2-SD 4.44Å; L633-M736 HydrophobicContact CG-CE 4Å; M673-M736 HydrophobicContact CG-CE 4.04Å; M673-M736 HydrophobicContact SD-CE 3.94Å; M673-M736 HydrophobicContact SD-SD 4.32Å; V677-M736 HydrophobicContact CG2-CE 3.59Å; V677-M736 HydrophobicContact CG2-SD 4.36Å; L693-M736 HydrophobicContact CD1-CG 3.61Å; A696-M736 HydrophobicContact CB-CB 4.33Å; A696-M736 HydrophobicContact CB-CG 4.49Å; T697-M736 HydrophobicContact CG2-SD 4.01Å; T697-M736 PolarHBondContact OG1-SD 2.85Å; L700-M736 HydrophobicContact CD2-SD 3.98Å; F732-M736 WeakPolarHBondContact O-CB 3.28Å; F732-M736 PolarHBondContact O-N 3.02Å; S733-M736 WeakPolarHBondContact O-CB 3.47Å; S733-M736 PolarHBondContact O-N 3.37Å; H734-M736 VanDerWaalsContact C-N 3.28Å; H734-M736 PolarHBondContact O-N 2.92Å; M736-T739 PolarHBondContact O-N 3.32Å; M736-T739 PolarHBondContact O-OG1 2.96Å; M736-I740 HydrophobicContact CE-CD1 4.01Å; M736-I740 HydrophobicContact CG-CD1 4.43Å; M736-I740 WeakPolarHBondContact O-CG1 3.37Å; M736-I740 PolarHBondContact O-N 3.48Å; M736-I740 VanDerWaalsContact O-N 3.15Å |
| 737 | I | 81.8 | Confident | 77.4 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 176.2 | -66.9 | -178.8 | 0 | 0 | 0 | 110.6 | L633 S733 H734 T739 I740 D741 P811 T812 | L633-I737 HydrophobicContact CD1-CD1 3.89Å; L633-I737 HydrophobicContact CD1-CG1 3.55Å; S733-I737 PolarHBondContact O-N 3.13Å; H734-I737 PolarHBondContact O-N 2.88Å; I737-T739 PolarHBondContact O-N 2.68Å; I737-T739 VanDerWaalsContact O-N 3.14Å; I737-I740 PolarHBondContact O-N 3.39Å; I737-D741 PolarHBondContact O-N 2.85Å; I737-P811 HydrophobicContact CD1-CB 4.27Å; I737-P811 WeakPolarHBondContact CD1-O 3.39Å; I737-T812 HydrophobicContact CD1-CG2 3.82Å |
| 738 | Q | 81.1 | Confident | 76.7 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.7 | -25.5 | 176.5 | -75.4 | -174 | -7.9 | 0 | 0 | 114.6 | H734 D741 P743 | H734-Q738 PolarHBondContact CD2-NE2 2.93Å; H734-Q738 PolarHBondContact NE2-NE2 3.36Å; H734-Q738 WeakPolarHBondContact O-CG 3.37Å; H734-Q738 PolarHBondContact O-N 3.43Å; Q738-D741 CarbonylContact C-O 3.6Å; Q738-D741 WeakPolarHBondContact CA-O 3.42Å; Q738-P743 HydrophobicContact CG-CG 4.45Å |
| 739 | T | 81.4 | Confident | 76.3 | Confident | 29 Ų | 29 | 62.8 Ų | 62.8 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -83.2 | -32.8 | 174.4 | 31.4 | 0 | 0 | 0 | 0 | 112.3 | R689 N692 A735 M736 I737 | R689-T739 PolarHBondContact NE-O 3.03Å; R689-T739 PolarHBondContact NH2-O 3.07Å; R689-T739 VanDerWaalsContact NH2-O 3.13Å; N692-T739 HydrophobicContact CB-CG2 4.23Å; A735-T739 PolarHBondContact O-N 2.85Å; A735-T739 PolarHBondContact O-OG1 2.91Å; M736-T739 PolarHBondContact O-N 3.32Å; M736-T739 PolarHBondContact O-OG1 2.96Å; I737-T739 PolarHBondContact O-N 2.68Å; I737-T739 VanDerWaalsContact O-N 3.14Å |
| 740 | I | 78.5 | Confident | 75.8 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.7 | -53.2 | 175.1 | -64.7 | 169.6 | 0 | 0 | 0 | 110.4 | K626 V629 R689 L693 M736 I737 | K626-I740 HydrophobicContact CB-CG2 4.31Å; K626-I740 HydrophobicContact CD-CG2 4.46Å; K626-I740 HydrophobicContact CG-CG2 3.7Å; V629-I740 HydrophobicContact CB-CD1 4.45Å; V629-I740 HydrophobicContact CG1-CD1 3.55Å; R689-I740 PolarHBondContact NH2-O 3.04Å; R689-I740 VanDerWaalsContact NH2-O 3.14Å; L693-I740 HydrophobicContact CD1-CD1 4.07Å; L693-I740 HydrophobicContact CD1-CG1 3.58Å; L693-I740 HydrophobicContact CD2-CG1 4.02Å; L693-I740 HydrophobicContact CG-CG1 4.46Å; M736-I740 HydrophobicContact CE-CD1 4.01Å; M736-I740 HydrophobicContact CG-CD1 4.43Å; M736-I740 WeakPolarHBondContact O-CG1 3.37Å; M736-I740 PolarHBondContact O-N 3.48Å; M736-I740 VanDerWaalsContact O-N 3.15Å; I737-I740 PolarHBondContact O-N 3.39Å |
| 741 | D | 69.9 | Low | 75.5 | Confident | 90 Ų | 90 | 65.1 Ų | 65.1 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -137.3 | 144.2 | -175.2 | -144.4 | -7.8 | 0 | 0 | 0 | 110.7 | I737 Q738 P743 | I737-D741 PolarHBondContact O-N 2.85Å; Q738-D741 CarbonylContact C-O 3.6Å; Q738-D741 WeakPolarHBondContact CA-O 3.42Å; D741-P743 WeakPolarHBondContact O-CD 3.31Å |
| 742 | Q | 62.3 | Low | 75.4 | Confident | 148 Ų | 148 | 65.8 Ų | 65.8 | 69% | 0.692 | 35% | 0.345 | S | S | * | . | trans | -87.6 | 112.7 | 176.3 | -71.8 | -176.2 | 2.8 | 0 | 0 | 107.8 | D744 | Q742-D744 PolarHBondContact O-N 3.19Š| ||
| 743 | P | 57.7 | Low | 75.2 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 33% | 0.331 | 35% | 0.348 | S | S | . | . | trans | -67 | 136.1 | -177.7 | 27.4 | -34.2 | 0 | 0 | 0 | 110.6 | Q738 D741 | Q738-P743 HydrophobicContact CG-CG 4.45Å; D741-P743 WeakPolarHBondContact O-CD 3.31Å | ||
| 744 | D | 62.1 | Low | 75.2 | Confident | 120 Ų | 120 | 65.2 Ų | 65.2 | 64% | 0.642 | 35% | 0.346 | S | S | * | . | trans | -53.3 | 145.7 | 170 | -70.3 | -42.7 | 0 | 0 | 0 | 110.9 | Q742 T746 A747 K748 | Q742-D744 PolarHBondContact O-N 3.19Å; D744-T746 PolarHBondContact O-N 2.95Å; D744-T746 VanDerWaalsContact O-N 3.14Å; D744-A747 PolarHBondContact O-N 3.3Å; D744-K748 PolarHBondContact O-N 2.97Å; D744-K748 VanDerWaalsContact O-N 3.09Å | ||
| 745 | E | 63.1 | Low | 75.3 | Confident | 167 Ų | 167 | 63.5 Ų | 63.5 | 78% | 0.78 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -55.9 | -35 | -179.5 | -71.2 | -162.8 | 135.7 | 0 | 0 | 112 | K748 D749 | E745-K748 PolarHBondContact O-N 3.01Å; E745-D749 WeakPolarHBondContact O-CB 3.43Å; E745-D749 PolarHBondContact O-N 3.28Å |
| 746 | T | 64.8 | Low | 75.4 | Confident | 111 Ų | 111 | 67 Ų | 67 | 68% | 0.681 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 175.8 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | D744 F750 | D744-T746 PolarHBondContact O-N 2.95Å; D744-T746 VanDerWaalsContact O-N 3.14Å; T746-F750 WeakPolarHBondContact O-CB 3.48Å; T746-F750 PolarHBondContact O-N 3.31Å; T746-F750 VanDerWaalsContact O-N 3.1Å |
| 747 | A | 66.5 | Low | 75.5 | Confident | 35 Ų | 35 | 68.5 Ų | 68.5 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.4 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D744 F750 Q751 | D744-A747 PolarHBondContact O-N 3.3Å; A747-F750 PolarHBondContact O-N 2.9Å; A747-Q751 VanDerWaalsContact O-CG 3.28Å; A747-Q751 WeakPolarHBondContact O-CG 3.37Å; A747-Q751 PolarHBondContact O-N 2.73Å |
| 748 | K | 71.1 | Confident | 75.9 | Confident | 100 Ų | 100 | 67.2 Ų | 67.2 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -46.6 | 176.7 | -173.6 | -175.9 | 173.9 | -169.4 | 0 | 112.1 | D744 E745 F750 Q751 D752 | D744-K748 PolarHBondContact O-N 2.97Å; D744-K748 VanDerWaalsContact O-N 3.09Å; E745-K748 PolarHBondContact O-N 3.01Å; K748-F750 VanDerWaalsContact C-N 3.31Å; K748-F750 PolarHBondContact O-N 2.92Å; K748-Q751 PolarHBondContact O-N 3.04Å; K748-D752 PolarHBondContact O-N 3.12Å |
| 749 | D | 76.7 | Confident | 76.2 | Confident | 105 Ų | 105 | 68.2 Ų | 68.2 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.7 | -41 | 176.6 | -80.2 | -8.1 | 0 | 0 | 0 | 111.4 | E745 Q751 D752 V753 | E745-D749 WeakPolarHBondContact O-CB 3.43Å; E745-D749 PolarHBondContact O-N 3.28Å; D749-Q751 PolarHBondContact O-N 3.13Å; D749-D752 PolarHBondContact O-N 3.48Å; D749-V753 WeakPolarHBondContact O-CB 3.44Å; D749-V753 VanDerWaalsContact O-CG2 3.26Å; D749-V753 WeakPolarHBondContact O-CG2 3.4Å; D749-V753 PolarHBondContact O-N 2.89Å |
| 750 | F | 76.5 | Confident | 76.6 | Confident | 34 Ų | 34 | 70.8 Ų | 70.8 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.3 | -174.1 | -88.8 | 0 | 0 | 0 | 112.4 | T746 A747 K748 L754 I813 H870 | T746-F750 WeakPolarHBondContact O-CB 3.48Å; T746-F750 PolarHBondContact O-N 3.31Å; T746-F750 VanDerWaalsContact O-N 3.1Å; A747-F750 PolarHBondContact O-N 2.9Å; K748-F750 VanDerWaalsContact C-N 3.31Å; K748-F750 PolarHBondContact O-N 2.92Å; F750-L754 WeakPolarHBondContact O-CB 3.46Å; F750-L754 PolarHBondContact O-N 3.31Å; F750-I813 HydrophobicContact CD1-CG2 4.02Å; F750-I813 HydrophobicContact CE1-CG1 4.09Å; F750-I813 HydrophobicContact CE1-CG2 3.9Å; F750-H870 AromaticContact CD2-CE1 3.55Å; F750-H870 AromaticContact CD2-NE2 3.38Å; F750-H870 WeakPolarHBondContact CD2-NE2 3.46Å; F750-H870 AromaticContact CE2-CD2 3.79Å; F750-H870 AromaticContact CE2-CE1 3.57Å; F750-H870 AromaticContact CE2-NE2 3.3Å; F750-H870 VanDerWaalsContact CE2-NE2 3.3Å; F750-H870 WeakPolarHBondContact CE2-NE2 3.35Å; F750-H870 AromaticContact CG-NE2 3.77Å; F750-H870 AromaticContact CZ-CD2 3.79Å; F750-H870 AromaticContact CZ-NE2 3.63Å; F750-H870 VanDerWaalsContact CZ-O 3.29Å; F750-H870 WeakPolarHBondContact CZ-O 3.46Å; F750-H870 PolarHBondContact O-NE2 3.34Å |
| 751 | Q | 79 | Confident | 77.1 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 177.5 | -69.4 | 177.8 | 20.4 | 0 | 0 | 112.4 | H734 A747 K748 D749 L754 V755 A810 I813 | H734-Q751 PolarHBondContact CE1-OE1 3.16Å; H734-Q751 VanDerWaalsContact CE1-OE1 3.28Å; A747-Q751 VanDerWaalsContact O-CG 3.28Å; A747-Q751 WeakPolarHBondContact O-CG 3.37Å; A747-Q751 PolarHBondContact O-N 2.73Å; K748-Q751 PolarHBondContact O-N 3.04Å; D749-Q751 PolarHBondContact O-N 3.13Å; Q751-L754 WeakPolarHBondContact O-CB 3.49Å; Q751-L754 PolarHBondContact O-N 3.16Å; Q751-V755 PolarHBondContact O-N 3.27Å; Q751-A810 VanDerWaalsContact CD-O 3.31Å; Q751-A810 VanDerWaalsContact CG-O 3.29Å; Q751-A810 WeakPolarHBondContact CG-O 3.24Å; Q751-I813 HydrophobicContact CG-CG2 4.43Å |
| 752 | D | 82 | Confident | 78 | Confident | 84 Ų | 84 | 67.7 Ų | 67.7 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 178.2 | -88.6 | -31.1 | 0 | 0 | 0 | 111.6 | K748 D749 V755 Q756 | K748-D752 PolarHBondContact O-N 3.12Å; D749-D752 PolarHBondContact O-N 3.48Å; D752-V755 PolarHBondContact O-N 3.15Å; D752-Q756 VanDerWaalsContact O-CG 3.3Å; D752-Q756 WeakPolarHBondContact O-CG 3.39Å; D752-Q756 PolarHBondContact O-N 2.92Å |
| 753 | V | 84.9 | Confident | 79.3 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 35% | 0.345 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 173.8 | 171 | 0 | 0 | 0 | 0 | 111.4 | D749 V755 Q756 L757 | D749-V753 WeakPolarHBondContact O-CB 3.44Å; D749-V753 VanDerWaalsContact O-CG2 3.26Å; D749-V753 WeakPolarHBondContact O-CG2 3.4Å; D749-V753 PolarHBondContact O-N 2.89Å; V753-V755 PolarHBondContact O-N 3.02Å; V753-Q756 PolarHBondContact O-N 3.17Å; V753-Q756 VanDerWaalsContact O-N 3.17Å; V753-L757 HydrophobicContact CG1-CD1 3.96Å; V753-L757 HydrophobicContact CG1-CG 4.22Å; V753-L757 WeakPolarHBondContact O-CG 3.45Å; V753-L757 PolarHBondContact O-N 2.64Å |
| 754 | L | 85.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.2 | -47.5 | 176.5 | -172.2 | 77 | 0 | 0 | 0 | 111.9 | F750 Q751 Q756 L757 A758 A810 I813 L822 L867 V871 | F750-L754 WeakPolarHBondContact O-CB 3.46Å; F750-L754 PolarHBondContact O-N 3.31Å; Q751-L754 WeakPolarHBondContact O-CB 3.49Å; Q751-L754 PolarHBondContact O-N 3.16Å; L754-Q756 VanDerWaalsContact C-N 3.34Å; L754-L757 PolarHBondContact O-N 3.05Å; L754-A758 PolarHBondContact O-N 3.3Å; L754-A810 HydrophobicContact CD2-CB 4.38Å; L754-I813 HydrophobicContact CD2-CB 4.42Å; L754-I813 HydrophobicContact CD2-CD1 3.84Å; L754-I813 HydrophobicContact CD2-CG1 3.88Å; L754-L822 HydrophobicContact CD1-CD2 3.82Å; L754-L822 HydrophobicContact CD2-CD2 3.93Å; L754-L822 HydrophobicContact CG-CD2 4.14Å; L754-L867 HydrophobicContact CD1-CD1 3.89Å; L754-V871 HydrophobicContact CD1-CG2 3.67Å |
| 755 | V | 85.7 | Confident | 82 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 13% | 0.127 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69 | -32.9 | 178.6 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | Q751 D752 V753 K759 R807 A810 | Q751-V755 PolarHBondContact O-N 3.27Å; D752-V755 PolarHBondContact O-N 3.15Å; V753-V755 PolarHBondContact O-N 3.02Å; V755-K759 HydrophobicContact CG1-CD 4.31Å; V755-K759 VanDerWaalsContact O-CG 3.28Å; V755-K759 WeakPolarHBondContact O-CG 3.36Å; V755-K759 PolarHBondContact O-N 3.25Å; V755-K759 VanDerWaalsContact O-N 3.08Å; V755-R807 HydrophobicContact CG1-CG 4.4Å; V755-A810 HydrophobicContact CG2-CB 3.9Å |
| 756 | Q | 87.3 | Confident | 83.2 | Confident | 111 Ų | 111 | 52.1 Ų | 52.1 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.6 | -44.3 | 172.2 | -73.1 | 179.9 | 34.2 | 0 | 0 | 112.3 | D752 V753 L754 A758 K759 N760 | D752-Q756 VanDerWaalsContact O-CG 3.3Å; D752-Q756 WeakPolarHBondContact O-CG 3.39Å; D752-Q756 PolarHBondContact O-N 2.92Å; V753-Q756 PolarHBondContact O-N 3.17Å; V753-Q756 VanDerWaalsContact O-N 3.17Å; L754-Q756 VanDerWaalsContact C-N 3.34Å; Q756-A758 PolarHBondContact O-N 3.42Å; Q756-K759 CarbonylContact O-C 3.52Å; Q756-K759 WeakPolarHBondContact O-CB 3.38Å; Q756-K759 PolarHBondContact O-N 3.41Å; Q756-K759 VanDerWaalsContact O-N 3.16Å; Q756-N760 VanDerWaalsContact O-CG 3.23Å; Q756-N760 PolarHBondContact O-N 2.94Å; Q756-N760 PolarHBondContact O-ND2 2.83Å; Q756-N760 PolarHBondContact O-OD1 3.32Å |
| 757 | L | 88.3 | Confident | 84.4 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.6 | -71.3 | 173.3 | 0 | 0 | 0 | 111.5 | V753 L754 K759 N760 V761 A866 L867 H870 | V753-L757 HydrophobicContact CG1-CD1 3.96Å; V753-L757 HydrophobicContact CG1-CG 4.22Å; V753-L757 WeakPolarHBondContact O-CG 3.45Å; V753-L757 PolarHBondContact O-N 2.64Å; L754-L757 PolarHBondContact O-N 3.05Å; L757-K759 VanDerWaalsContact C-N 3.34Å; L757-K759 PolarHBondContact O-N 3.16Å; L757-N760 WeakPolarHBondContact O-CB 3.48Å; L757-N760 PolarHBondContact O-N 3.06Å; L757-N760 VanDerWaalsContact O-N 3.11Å; L757-V761 PolarHBondContact O-N 3.03Å; L757-A866 HydrophobicContact CD2-CB 4.27Å; L757-L867 HydrophobicContact CB-CB 4.27Å; L757-L867 HydrophobicContact CB-CD1 3.79Å; L757-H870 HydrophobicContact CD1-CB 3.58Å |
| 758 | A | 88.6 | Confident | 85.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L754 Q756 N760 V761 A762 V803 A806 | L754-A758 PolarHBondContact O-N 3.3Å; Q756-A758 PolarHBondContact O-N 3.42Å; A758-N760 VanDerWaalsContact C-N 3.35Å; A758-V761 PolarHBondContact O-N 3.36Å; A758-A762 PolarHBondContact O-N 3.22Å; A758-A762 VanDerWaalsContact O-N 3.13Å; A758-V803 HydrophobicContact CB-CG2 4.4Å; A758-V803 WeakPolarHBondContact O-CG2 3.26Å; A758-A806 HydrophobicContact CB-CB 3.61Å |
| 759 | K | 89.1 | Confident | 86.4 | Confident | 109 Ų | 109 | 45.2 Ų | 45.2 | 47% | 0.474 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.4 | -35 | 172.4 | -73.7 | 166.7 | -177.9 | 167.6 | 0 | 112.4 | V755 Q756 L757 A762 T763 | V755-K759 HydrophobicContact CG1-CD 4.31Å; V755-K759 VanDerWaalsContact O-CG 3.28Å; V755-K759 WeakPolarHBondContact O-CG 3.36Å; V755-K759 PolarHBondContact O-N 3.25Å; V755-K759 VanDerWaalsContact O-N 3.08Å; Q756-K759 CarbonylContact O-C 3.52Å; Q756-K759 WeakPolarHBondContact O-CB 3.38Å; Q756-K759 PolarHBondContact O-N 3.41Å; Q756-K759 VanDerWaalsContact O-N 3.16Å; L757-K759 VanDerWaalsContact C-N 3.34Å; L757-K759 PolarHBondContact O-N 3.16Å; K759-A762 WeakPolarHBondContact O-CA 3.47Å; K759-A762 WeakPolarHBondContact O-CB 3.47Å; K759-A762 PolarHBondContact O-N 2.73Å; K759-A762 VanDerWaalsContact O-N 3.14Å; K759-T763 PolarHBondContact O-N 3.18Å |
| 760 | N | 88.5 | Confident | 87 | Confident | 82 Ų | 82 | 45.9 Ų | 45.9 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 175.5 | -67.7 | -19.2 | 0 | 0 | 0 | 111.9 | Q756 L757 A758 A762 T763 G764 | Q756-N760 VanDerWaalsContact O-CG 3.23Å; Q756-N760 PolarHBondContact O-N 2.94Å; Q756-N760 PolarHBondContact O-ND2 2.83Å; Q756-N760 PolarHBondContact O-OD1 3.32Å; L757-N760 WeakPolarHBondContact O-CB 3.48Å; L757-N760 PolarHBondContact O-N 3.06Å; L757-N760 VanDerWaalsContact O-N 3.11Å; A758-N760 VanDerWaalsContact C-N 3.35Å; N760-A762 VanDerWaalsContact C-N 3.3Å; N760-A762 PolarHBondContact O-N 3.38Å; N760-T763 PolarHBondContact O-N 2.74Å; N760-T763 PolarHBondContact O-OG1 2.76Å; N760-G764 PolarHBondContact O-N 3.08Å |
| 761 | V | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 169.7 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | L757 A758 G764 T765 T799 L802 V829 V860 A863 L864 L867 | L757-V761 PolarHBondContact O-N 3.03Å; A758-V761 PolarHBondContact O-N 3.36Å; V761-G764 PolarHBondContact O-N 2.74Å; V761-T765 PolarHBondContact O-N 3.41Å; V761-T765 PolarHBondContact O-OG1 2.77Å; V761-T799 HydrophobicContact CB-CG2 4.38Å; V761-T799 HydrophobicContact CG1-CG2 3.82Å; V761-L802 HydrophobicContact CB-CD2 4.25Å; V761-L802 HydrophobicContact CG1-CD2 3.97Å; V761-L802 HydrophobicContact CG2-CD2 4.47Å; V761-V829 HydrophobicContact CG1-CG1 4.01Å; V761-V860 HydrophobicContact CG1-CG1 4.16Å; V761-A863 HydrophobicContact CG2-CB 3.94Å; V761-L864 HydrophobicContact CG1-CD1 4.12Å; V761-L864 HydrophobicContact CG2-CD1 4.24Å; V761-L867 HydrophobicContact CG2-CD2 4.38Å |
| 762 | A | 88.8 | Confident | 87.9 | Confident | 34 Ų | 34 | 46 Ų | 46 | 28% | 0.281 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A758 K759 N760 A766 T799 V803 | A758-A762 PolarHBondContact O-N 3.22Å; A758-A762 VanDerWaalsContact O-N 3.13Å; K759-A762 WeakPolarHBondContact O-CA 3.47Å; K759-A762 WeakPolarHBondContact O-CB 3.47Å; K759-A762 PolarHBondContact O-N 2.73Å; K759-A762 VanDerWaalsContact O-N 3.14Å; N760-A762 VanDerWaalsContact C-N 3.3Å; N760-A762 PolarHBondContact O-N 3.38Å; A762-A766 WeakPolarHBondContact O-CB 3.45Å; A762-A766 PolarHBondContact O-N 2.74Å; A762-T799 VanDerWaalsContact CA-CG2 3.46Å; A762-T799 HydrophobicContact CB-CG2 3.94Å; A762-V803 HydrophobicContact CB-CG2 3.8Å |
| 763 | T | 89.6 | Confident | 88 | Confident | 94 Ų | 94 | 48.1 Ų | 48.1 | 58% | 0.577 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.3 | -39.8 | 174.8 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | K759 N760 A766 H767 | K759-T763 PolarHBondContact O-N 3.18Å; N760-T763 PolarHBondContact O-N 2.74Å; N760-T763 PolarHBondContact O-OG1 2.76Å; T763-A766 PolarHBondContact O-N 3.28Å; T763-H767 PolarHBondContact O-N 3.48Å; T763-H767 VanDerWaalsContact O-N 3.1Å |
| 764 | G | 88.1 | Confident | 87.9 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N760 V761 A766 H767 L768 | N760-G764 PolarHBondContact O-N 3.08Å; V761-G764 PolarHBondContact O-N 2.74Å; G764-A766 VanDerWaalsContact C-N 3.33Å; G764-A766 PolarHBondContact O-N 2.75Å; G764-H767 WeakPolarHBondContact O-CB 3.42Å; G764-H767 PolarHBondContact O-N 2.74Å; G764-H767 VanDerWaalsContact O-N 3.15Å; G764-L768 PolarHBondContact O-N 3.37Å |
| 765 | T | 88.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 178.3 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | V761 H767 L768 V769 C795 T799 | V761-T765 PolarHBondContact O-N 3.41Å; V761-T765 PolarHBondContact O-OG1 2.77Å; T765-H767 VanDerWaalsContact C-N 3.3Å; T765-H767 PolarHBondContact O-N 3.25Å; T765-L768 PolarHBondContact O-N 2.81Å; T765-V769 HydrophobicContact CG2-CG2 3.96Å; T765-V769 WeakPolarHBondContact O-CB 3.26Å; T765-V769 VanDerWaalsContact O-CG2 3.23Å; T765-V769 WeakPolarHBondContact O-CG2 3.43Å; T765-V769 PolarHBondContact O-N 3.26Å; T765-C795 HydrophobicContact CG2-CB 4.44Å; T765-C795 VanDerWaalsContact CG2-SG 3.58Å; T765-T799 WeakPolarHBondContact CB-OG1 3.47Å; T765-T799 WeakPolarHBondContact CG2-OG1 3.2Å; T765-T799 PolarHBondContact OG1-OG1 3.25Å |
| 766 | A | 88.5 | Confident | 87.6 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 44% | 0.438 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A762 T763 G764 V769 L770 | A762-A766 WeakPolarHBondContact O-CB 3.45Å; A762-A766 PolarHBondContact O-N 2.74Å; T763-A766 PolarHBondContact O-N 3.28Å; G764-A766 VanDerWaalsContact C-N 3.33Å; G764-A766 PolarHBondContact O-N 2.75Å; A766-V769 PolarHBondContact O-N 3.29Å; A766-L770 VanDerWaalsContact O-CG 3.3Å; A766-L770 WeakPolarHBondContact O-CG 3.3Å; A766-L770 PolarHBondContact O-N 3.37Å |
| 767 | H | 89.5 | Confident | 87.3 | Confident | 74 Ų | 74 | 46 Ų | 46 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 173.6 | -176.8 | -124.3 | 0 | 0 | 0 | 112.1 | T763 G764 T765 V769 L770 K771 | T763-H767 PolarHBondContact O-N 3.48Å; T763-H767 VanDerWaalsContact O-N 3.1Å; G764-H767 WeakPolarHBondContact O-CB 3.42Å; G764-H767 PolarHBondContact O-N 2.74Å; G764-H767 VanDerWaalsContact O-N 3.15Å; T765-H767 VanDerWaalsContact C-N 3.3Å; T765-H767 PolarHBondContact O-N 3.25Å; H767-V769 PolarHBondContact O-N 2.82Å; H767-L770 PolarHBondContact O-N 3.49Å; H767-K771 WeakPolarHBondContact NE2-CE 3.5Å; H767-K771 WeakPolarHBondContact O-CG 3.44Å; H767-K771 PolarHBondContact O-N 3.39Å |
| 768 | L | 90.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 175 | 177.1 | 62.9 | 0 | 0 | 0 | 112.3 | G764 T765 K771 A772 V833 L836 L853 A856 A857 V860 | G764-L768 PolarHBondContact O-N 3.37Å; T765-L768 PolarHBondContact O-N 2.81Å; L768-K771 PolarHBondContact O-N 3.35Å; L768-A772 WeakPolarHBondContact O-CB 3.45Å; L768-A772 PolarHBondContact O-N 3.05Å; L768-V833 HydrophobicContact CD2-CB 4.37Å; L768-V833 HydrophobicContact CD2-CG1 3.97Å; L768-V833 HydrophobicContact CD2-CG2 3.86Å; L768-L836 HydrophobicContact CD1-CD2 4.33Å; L768-L836 HydrophobicContact CD2-CD2 3.98Å; L768-L836 HydrophobicContact CG-CD2 3.85Å; L768-L853 HydrophobicContact CD1-CD1 3.57Å; L768-L853 HydrophobicContact CD1-CG 3.93Å; L768-A856 HydrophobicContact CB-CB 4.29Å; L768-A856 HydrophobicContact CD1-CB 4.03Å; L768-A857 HydrophobicContact CD1-CB 3.96Å; L768-A857 HydrophobicContact CD2-CB 4.39Å; L768-V860 HydrophobicContact CB-CG2 4.19Å; L768-V860 HydrophobicContact CD2-CG2 4.13Å |
| 769 | V | 89.6 | Confident | 86.2 | Confident | 27 Ų | 27 | 50.5 Ų | 50.5 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.8 | -35.2 | 178.9 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | T765 A766 H767 A772 K773 A792 A796 | T765-V769 HydrophobicContact CG2-CG2 3.96Å; T765-V769 WeakPolarHBondContact O-CB 3.26Å; T765-V769 VanDerWaalsContact O-CG2 3.23Å; T765-V769 WeakPolarHBondContact O-CG2 3.43Å; T765-V769 PolarHBondContact O-N 3.26Å; A766-V769 PolarHBondContact O-N 3.29Å; H767-V769 PolarHBondContact O-N 2.82Å; V769-A772 PolarHBondContact O-N 2.72Å; V769-K773 PolarHBondContact O-N 2.99Å; V769-A792 HydrophobicContact CG1-CB 4.33Å; V769-A792 HydrophobicContact CG2-CB 4.31Å; V769-A792 VanDerWaalsContact CG2-O 3.32Å; V769-A792 WeakPolarHBondContact CG2-O 3.18Å; V769-A796 HydrophobicContact CG2-CB 4.2Å |
| 770 | L | 88.6 | Confident | 85.5 | Confident | 118 Ų | 118 | 54.9 Ų | 54.9 | 62% | 0.618 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.7 | -42.4 | 171.6 | -72.1 | 169.8 | 0 | 0 | 0 | 111.6 | A766 H767 K773 A774 | A766-L770 VanDerWaalsContact O-CG 3.3Å; A766-L770 WeakPolarHBondContact O-CG 3.3Å; A766-L770 PolarHBondContact O-N 3.37Å; H767-L770 PolarHBondContact O-N 3.49Å; L770-K773 PolarHBondContact O-N 3.36Å; L770-A774 PolarHBondContact O-N 2.89Å |
| 771 | K | 87.5 | Confident | 85 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 172.7 | -68.5 | -66.4 | -167.3 | 172 | 0 | 111.8 | H767 L768 K773 A774 V775 D852 L853 A856 | H767-K771 WeakPolarHBondContact NE2-CE 3.5Å; H767-K771 WeakPolarHBondContact O-CG 3.44Å; H767-K771 PolarHBondContact O-N 3.39Å; L768-K771 PolarHBondContact O-N 3.35Å; K771-K773 PolarHBondContact O-N 3.4Å; K771-A774 WeakPolarHBondContact O-CA 3.41Å; K771-A774 WeakPolarHBondContact O-CB 3.49Å; K771-A774 PolarHBondContact O-N 2.9Å; K771-A774 VanDerWaalsContact O-N 3.08Å; K771-V775 WeakPolarHBondContact O-CG2 3.5Å; K771-V775 PolarHBondContact O-N 3.16Å; K771-D852 HydrophobicContact CD-CB 4.25Å; K771-D852 IonicContact NZ-OD2 2.66Å; K771-D852 PolarHBondContact NZ-OD2 3.26Å; K771-L853 HydrophobicContact CB-CD1 3.76Å; K771-A856 HydrophobicContact CG-CB 4.18Å |
| 772 | A | 86.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L768 V769 A774 V775 S776 V788 A792 L836 L853 | L768-A772 WeakPolarHBondContact O-CB 3.45Å; L768-A772 PolarHBondContact O-N 3.05Å; V769-A772 PolarHBondContact O-N 2.72Å; A772-A774 VanDerWaalsContact C-N 3.35Å; A772-V775 PolarHBondContact O-N 3.23Å; A772-S776 WeakPolarHBondContact O-CB 3.43Å; A772-S776 PolarHBondContact O-N 3.03Å; A772-V788 HydrophobicContact CB-CG1 4.35Å; A772-A792 HydrophobicContact CB-CB 3.81Å; A772-L836 HydrophobicContact CB-CD1 3.92Å; A772-L836 HydrophobicContact CB-CD2 4.09Å; A772-L836 HydrophobicContact CB-CG 4.42Å; A772-L853 HydrophobicContact CB-CD1 3.94Å |
| 773 | K | 85.5 | Confident | 84.1 | Confident | 128 Ų | 128 | 64.3 Ų | 64.3 | 56% | 0.557 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.7 | -35.9 | 170.5 | -100.5 | -176.2 | 174.4 | 178.4 | 0 | 112.9 | V769 L770 K771 S776 S777 | V769-K773 PolarHBondContact O-N 2.99Å; L770-K773 PolarHBondContact O-N 3.36Å; K771-K773 PolarHBondContact O-N 3.4Å; K773-S776 PolarHBondContact O-OG 3.48Å; K773-S777 WeakPolarHBondContact O-CB 3.37Å; K773-S777 PolarHBondContact O-N 2.69Å; K773-S777 PolarHBondContact O-OG 3.48Å |
| 774 | A | 83.4 | Confident | 83.7 | Confident | 49 Ų | 49 | 62 Ų | 62 | 41% | 0.405 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L770 K771 A772 S777 K778 | L770-A774 PolarHBondContact O-N 2.89Å; K771-A774 WeakPolarHBondContact O-CA 3.41Å; K771-A774 WeakPolarHBondContact O-CB 3.49Å; K771-A774 PolarHBondContact O-N 2.9Å; K771-A774 VanDerWaalsContact O-N 3.08Å; A772-A774 VanDerWaalsContact C-N 3.35Å; A774-S777 PolarHBondContact O-N 3.34Å; A774-S777 PolarHBondContact O-OG 3.3Å; A774-K778 PolarHBondContact O-N 3.44Å |
| 775 | V | 83 | Confident | 83.4 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 172.7 | 174.4 | 0 | 0 | 0 | 0 | 111 | K771 A772 S777 K778 C779 A840 C844 L853 | K771-V775 WeakPolarHBondContact O-CG2 3.5Å; K771-V775 PolarHBondContact O-N 3.16Å; A772-V775 PolarHBondContact O-N 3.23Å; V775-S777 VanDerWaalsContact C-N 3.28Å; V775-S777 PolarHBondContact O-N 3.07Å; V775-K778 WeakPolarHBondContact O-CB 3.39Å; V775-K778 PolarHBondContact O-N 3.38Å; V775-C779 PolarHBondContact O-N 3.08Å; V775-A840 HydrophobicContact CG1-CB 4.26Å; V775-C844 HydrophobicContact CG1-CB 3.55Å; V775-L853 HydrophobicContact CG2-CB 4.38Å; V775-L853 HydrophobicContact CG2-CD2 4.48Å |
| 776 | S | 81.3 | Confident | 83.2 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.8 | -32.6 | -179.9 | 83.2 | 0 | 0 | 0 | 0 | 111.9 | A772 K773 K778 C779 Q785 | A772-S776 WeakPolarHBondContact O-CB 3.43Å; A772-S776 PolarHBondContact O-N 3.03Å; K773-S776 PolarHBondContact O-OG 3.48Å; S776-K778 PolarHBondContact O-N 2.94Å; S776-C779 WeakPolarHBondContact O-CB 3.38Å; S776-C779 PolarHBondContact O-N 2.62Å; S776-C779 VanDerWaalsContact O-N 3.13Å; S776-Q785 WeakPolarHBondContact O-CG 3.19Å; S776-Q785 PolarHBondContact O-NE2 3.14Å |
| 777 | S | 81.5 | Confident | 83 | Confident | 88 Ų | 88 | 69 Ų | 69 | 62% | 0.615 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -68.2 | -15.7 | 173.8 | 76.8 | 0 | 0 | 0 | 0 | 114.4 | K773 A774 V775 | K773-S777 WeakPolarHBondContact O-CB 3.37Å; K773-S777 PolarHBondContact O-N 2.69Å; K773-S777 PolarHBondContact O-OG 3.48Å; A774-S777 PolarHBondContact O-N 3.34Å; A774-S777 PolarHBondContact O-OG 3.3Å; V775-S777 VanDerWaalsContact C-N 3.28Å; V775-S777 PolarHBondContact O-N 3.07Å |
| 778 | K | 79.3 | Confident | 82.8 | Confident | 114 Ų | 114 | 65.4 Ų | 65.4 | 50% | 0.496 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -5.7 | 172.2 | -70.1 | -179.8 | 170 | -177.1 | 0 | 113.6 | A774 V775 S776 D846 S849 | A774-K778 PolarHBondContact O-N 3.44Å; V775-K778 WeakPolarHBondContact O-CB 3.39Å; V775-K778 PolarHBondContact O-N 3.38Å; S776-K778 PolarHBondContact O-N 2.94Å; K778-D846 IonicContact NZ-OD2 2.71Å; K778-D846 PolarHBondContact NZ-OD2 2.65Å; K778-S849 WeakPolarHBondContact CD-OG 3.32Å; K778-S849 PolarHBondContact NZ-OG 3.04Å |
| 779 | C | 73.8 | Confident | 82.6 | Confident | 12 Ų | 12 | 68 Ų | 68 | 8% | 0.081 | 35% | 0.35 | C | S | . | . | trans | -81.3 | 123.6 | 178.5 | -168.7 | 0 | 0 | 0 | 0 | 109.9 | V775 S776 E781 Q785 S843 | V775-C779 PolarHBondContact O-N 3.08Å; S776-C779 WeakPolarHBondContact O-CB 3.38Å; S776-C779 PolarHBondContact O-N 2.62Å; S776-C779 VanDerWaalsContact O-N 3.13Å; C779-E781 VanDerWaalsContact C-N 3.35Å; C779-Q785 HydrophobicContact CB-CB 4.29Å; C779-S843 PolarHBondContact SG-O 2.71Å | ||
| 780 | E | 74.8 | Confident | 82.4 | Confident | 200 Ų | 200 | 72.3 Ų | 72.3 | 94% | 0.935 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -75.6 | -21.8 | -178.3 | -63 | -178.8 | 163.1 | 0 | 0 | 113 | ||
| 781 | E | 78.4 | Confident | 82.3 | Confident | 116 Ų | 116 | 67 Ų | 67 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | trans | -98.7 | 114.6 | -178.8 | -71.5 | -168 | 176.4 | 0 | 0 | 112.3 | C779 P783 L784 Q785 | C779-E781 VanDerWaalsContact C-N 3.35Å; E781-P783 VanDerWaalsContact C-CD 3.48Å; E781-L784 HydrophobicContact CB-CB 4.29Å; E781-L784 HydrophobicContact CB-CD1 4.24Å; E781-L784 HydrophobicContact CB-CG 4.44Å; E781-L784 PolarHBondContact O-N 3.21Å; E781-L784 VanDerWaalsContact O-N 3.13Å; E781-L784 WeakPolarHBondContact OE2-CD1 3.49Å; E781-Q785 PolarHBondContact O-N 3.33Å | ||
| 782 | Q | 79.6 | Confident | 82.2 | Confident | 106 Ų | 106 | 64.4 Ų | 64.4 | 50% | 0.495 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -48 | -47.2 | 175.8 | -164.3 | 66.2 | 51.9 | 0 | 0 | 114.9 | L784 Q785 D786 | Q782-L784 VanDerWaalsContact C-N 3.33Å; Q782-L784 PolarHBondContact O-N 3.28Å; Q782-Q785 WeakPolarHBondContact O-CB 3.27Å; Q782-Q785 PolarHBondContact O-N 2.96Å; Q782-D786 PolarHBondContact NE2-OD1 3.3Å; Q782-D786 WeakPolarHBondContact O-CB 3.35Å; Q782-D786 PolarHBondContact O-N 3.15Å |
| 783 | P | 79.9 | Confident | 82.3 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 60% | 0.597 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.1 | -31.4 | -178.4 | 26.3 | -35.6 | 0 | 0 | 0 | 113.3 | E781 K787 | E781-P783 VanDerWaalsContact C-CD 3.48Å; P783-K787 WeakPolarHBondContact O-CB 3.22Å; P783-K787 PolarHBondContact O-N 3.32Å |
| 784 | L | 79.8 | Confident | 82.2 | Confident | 46 Ų | 46 | 66 Ų | 66 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -75.7 | -39.7 | 173.9 | -72.4 | 174.6 | 0 | 0 | 0 | 111.1 | E781 Q782 K787 V788 | E781-L784 HydrophobicContact CB-CB 4.29Å; E781-L784 HydrophobicContact CB-CD1 4.24Å; E781-L784 HydrophobicContact CB-CG 4.44Å; E781-L784 PolarHBondContact O-N 3.21Å; E781-L784 VanDerWaalsContact O-N 3.13Å; E781-L784 WeakPolarHBondContact OE2-CD1 3.49Å; Q782-L784 VanDerWaalsContact C-N 3.33Å; Q782-L784 PolarHBondContact O-N 3.28Å; L784-K787 PolarHBondContact O-N 2.66Å; L784-V788 WeakPolarHBondContact O-CG2 3.3Å; L784-V788 PolarHBondContact O-N 2.83Å |
| 785 | Q | 82.2 | Confident | 82.4 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.7 | -49.7 | 171 | 175.6 | 178.2 | 94.9 | 0 | 0 | 111.3 | S776 C779 E781 Q782 K787 V788 I789 | S776-Q785 WeakPolarHBondContact O-CG 3.19Å; S776-Q785 PolarHBondContact O-NE2 3.14Å; C779-Q785 HydrophobicContact CB-CB 4.29Å; E781-Q785 PolarHBondContact O-N 3.33Å; Q782-Q785 WeakPolarHBondContact O-CB 3.27Å; Q782-Q785 PolarHBondContact O-N 2.96Å; Q785-K787 VanDerWaalsContact C-N 3.3Å; Q785-K787 PolarHBondContact O-N 3.22Å; Q785-V788 PolarHBondContact O-N 3.17Å; Q785-I789 HydrophobicContact CG-CD1 3.83Å; Q785-I789 WeakPolarHBondContact O-CB 3.47Å; Q785-I789 VanDerWaalsContact O-CG1 3.27Å; Q785-I789 WeakPolarHBondContact O-CG1 3.35Å; Q785-I789 PolarHBondContact O-N 3.02Å |
| 786 | D | 83.7 | Confident | 82.6 | Confident | 84 Ų | 84 | 65 Ų | 65 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63 | -36.9 | 178.4 | -69.3 | -14.1 | 0 | 0 | 0 | 111.2 | Q782 I789 H790 | Q782-D786 PolarHBondContact NE2-OD1 3.3Å; Q782-D786 WeakPolarHBondContact O-CB 3.35Å; Q782-D786 PolarHBondContact O-N 3.15Å; D786-I789 PolarHBondContact O-N 3Å; D786-H790 VanDerWaalsContact O-CB 3.3Å; D786-H790 WeakPolarHBondContact O-CB 3.42Å; D786-H790 PolarHBondContact O-N 2.83Å |
| 787 | K | 85 | Confident | 82.7 | Confident | 85 Ų | 85 | 69.5 Ų | 69.5 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 175.2 | -161.4 | -173.7 | -172.7 | -155.4 | 0 | 112.3 | P783 L784 Q785 I789 H790 S791 D839 | P783-K787 WeakPolarHBondContact O-CB 3.22Å; P783-K787 PolarHBondContact O-N 3.32Å; L784-K787 PolarHBondContact O-N 2.66Å; Q785-K787 VanDerWaalsContact C-N 3.3Å; Q785-K787 PolarHBondContact O-N 3.22Å; K787-I789 VanDerWaalsContact C-N 3.32Å; K787-I789 PolarHBondContact O-N 3.04Å; K787-H790 WeakPolarHBondContact O-CB 3.35Å; K787-H790 PolarHBondContact O-N 3.24Å; K787-S791 PolarHBondContact O-N 3.39Å; K787-S791 PolarHBondContact O-OG 3.44Å; K787-D839 WeakPolarHBondContact CE-OD1 3.32Å; K787-D839 IonicContact NZ-OD1 2.8Å; K787-D839 PolarHBondContact NZ-OD1 3.34Å; K787-D839 IonicContact NZ-OD2 3.44Å |
| 788 | V | 85.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 174.9 | 174.3 | 0 | 0 | 0 | 0 | 111 | A772 L784 Q785 H790 A792 L836 D839 S843 | A772-V788 HydrophobicContact CB-CG1 4.35Å; L784-V788 WeakPolarHBondContact O-CG2 3.3Å; L784-V788 PolarHBondContact O-N 2.83Å; Q785-V788 PolarHBondContact O-N 3.17Å; V788-H790 VanDerWaalsContact C-N 3.35Å; V788-A792 WeakPolarHBondContact O-CB 3.3Å; V788-A792 PolarHBondContact O-N 2.89Å; V788-L836 HydrophobicContact CG1-CD1 4.19Å; V788-D839 HydrophobicContact CG2-CB 4.34Å; V788-S843 VanDerWaalsContact CG2-OG 3.24Å; V788-S843 WeakPolarHBondContact CG2-OG 3.35Å |
| 789 | I | 85.8 | Confident | 83.3 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 28% | 0.282 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 175.3 | -69 | 168.4 | 0 | 0 | 0 | 110.8 | Q785 D786 K787 T793 | Q785-I789 HydrophobicContact CG-CD1 3.83Å; Q785-I789 WeakPolarHBondContact O-CB 3.47Å; Q785-I789 VanDerWaalsContact O-CG1 3.27Å; Q785-I789 WeakPolarHBondContact O-CG1 3.35Å; Q785-I789 PolarHBondContact O-N 3.02Å; D786-I789 PolarHBondContact O-N 3Å; K787-I789 VanDerWaalsContact C-N 3.32Å; K787-I789 PolarHBondContact O-N 3.04Å; I789-T793 VanDerWaalsContact O-CB 3.27Å; I789-T793 WeakPolarHBondContact O-CB 3.38Å; I789-T793 PolarHBondContact O-N 3.11Å; I789-T793 PolarHBondContact O-OG1 3.31Å |
| 790 | H | 85.7 | Confident | 83.9 | Confident | 117 Ų | 117 | 62.6 Ų | 62.6 | 54% | 0.542 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.6 | -51.9 | 176.6 | -171.1 | 83.5 | 0 | 0 | 0 | 111.4 | D786 K787 V788 A792 T793 Q794 | D786-H790 VanDerWaalsContact O-CB 3.3Å; D786-H790 WeakPolarHBondContact O-CB 3.42Å; D786-H790 PolarHBondContact O-N 2.83Å; K787-H790 WeakPolarHBondContact O-CB 3.35Å; K787-H790 PolarHBondContact O-N 3.24Å; V788-H790 VanDerWaalsContact C-N 3.35Å; H790-A792 VanDerWaalsContact C-N 3.31Å; H790-A792 PolarHBondContact O-N 2.96Å; H790-T793 CarbonylContact O-C 3.55Å; H790-T793 PolarHBondContact O-N 3.04Å; H790-T793 VanDerWaalsContact O-N 3.09Å; H790-Q794 WeakPolarHBondContact O-CB 3.47Å; H790-Q794 PolarHBondContact O-N 2.93Å |
| 791 | S | 86 | Confident | 84.5 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 177.9 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | K787 Q794 C795 D839 | K787-S791 PolarHBondContact O-N 3.39Å; K787-S791 PolarHBondContact O-OG 3.44Å; S791-Q794 PolarHBondContact O-N 3.4Å; S791-C795 WeakPolarHBondContact O-CB 3.31Å; S791-C795 PolarHBondContact O-N 2.98Å; S791-D839 PolarHBondContact OG-OD2 2.8Å |
| 792 | A | 86.8 | Confident | 85 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V769 A772 V788 H790 C795 A796 L836 | V769-A792 HydrophobicContact CG1-CB 4.33Å; V769-A792 HydrophobicContact CG2-CB 4.31Å; V769-A792 VanDerWaalsContact CG2-O 3.32Å; V769-A792 WeakPolarHBondContact CG2-O 3.18Å; A772-A792 HydrophobicContact CB-CB 3.81Å; V788-A792 WeakPolarHBondContact O-CB 3.3Å; V788-A792 PolarHBondContact O-N 2.89Å; H790-A792 VanDerWaalsContact C-N 3.31Å; H790-A792 PolarHBondContact O-N 2.96Å; A792-C795 PolarHBondContact O-N 2.7Å; A792-A796 PolarHBondContact O-N 2.77Å; A792-L836 HydrophobicContact CB-CD1 3.89Å; A792-L836 HydrophobicContact CB-CD2 4.2Å |
| 793 | T | 86.9 | Confident | 85.4 | Confident | 60 Ų | 60 | 44.6 Ų | 44.6 | 37% | 0.368 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.1 | -38.2 | 176.9 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | I789 H790 A796 F797 | I789-T793 VanDerWaalsContact O-CB 3.27Å; I789-T793 WeakPolarHBondContact O-CB 3.38Å; I789-T793 PolarHBondContact O-N 3.11Å; I789-T793 PolarHBondContact O-OG1 3.31Å; H790-T793 CarbonylContact O-C 3.55Å; H790-T793 PolarHBondContact O-N 3.04Å; H790-T793 VanDerWaalsContact O-N 3.09Å; T793-A796 PolarHBondContact O-N 3.38Å; T793-F797 HydrophobicContact CG2-CD2 3.81Å; T793-F797 HydrophobicContact CG2-CE2 3.48Å; T793-F797 VanDerWaalsContact CG2-CE2 3.48Å; T793-F797 HydrophobicContact CG2-CZ 4.35Å; T793-F797 VanDerWaalsContact O-CD2 3.22Å; T793-F797 WeakPolarHBondContact O-CD2 3.38Å; T793-F797 PolarHBondContact O-N 3.4Å |
| 794 | Q | 84.1 | Confident | 85.7 | Confident | 101 Ų | 101 | 40.6 Ų | 40.6 | 47% | 0.472 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 172.8 | -172.1 | 178.9 | -0.5 | 0 | 0 | 111.5 | H790 S791 A796 F797 A798 | H790-Q794 WeakPolarHBondContact O-CB 3.47Å; H790-Q794 PolarHBondContact O-N 2.93Å; S791-Q794 PolarHBondContact O-N 3.4Å; Q794-A796 PolarHBondContact O-N 3.27Å; Q794-F797 PolarHBondContact O-N 3.37Å; Q794-A798 WeakPolarHBondContact O-CB 3.49Å; Q794-A798 PolarHBondContact O-N 3.09Å |
| 795 | C | 87.1 | Confident | 86 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 173.9 | -171 | 0 | 0 | 0 | 0 | 112.1 | T765 S791 A792 T799 A832 L836 | T765-C795 HydrophobicContact CG2-CB 4.44Å; T765-C795 VanDerWaalsContact CG2-SG 3.58Å; S791-C795 WeakPolarHBondContact O-CB 3.31Å; S791-C795 PolarHBondContact O-N 2.98Å; A792-C795 PolarHBondContact O-N 2.7Å; C795-T799 WeakPolarHBondContact O-CB 3.47Å; C795-T799 PolarHBondContact O-N 3.41Å; C795-T799 PolarHBondContact O-OG1 3.37Å; C795-A832 HydrophobicContact CB-CB 4.03Å; C795-L836 HydrophobicContact CB-CD2 4.4Å |
| 796 | A | 87 | Confident | 86.2 | Confident | 33 Ų | 33 | 36.4 Ų | 36.4 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.7 | -42 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V769 A792 T793 Q794 S800 | V769-A796 HydrophobicContact CG2-CB 4.2Å; A792-A796 PolarHBondContact O-N 2.77Å; T793-A796 PolarHBondContact O-N 3.38Å; Q794-A796 PolarHBondContact O-N 3.27Å; A796-S800 WeakPolarHBondContact O-CB 3.36Å; A796-S800 PolarHBondContact O-N 3.15Å; A796-S800 PolarHBondContact O-OG 3.07Å |
| 797 | F | 84.9 | Confident | 86.4 | Confident | 99 Ų | 99 | 36.9 Ų | 36.9 | 43% | 0.434 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.4 | -47.2 | 176.9 | -78.8 | -51.9 | 0 | 0 | 0 | 112.2 | T793 Q794 T799 S800 Q801 | T793-F797 HydrophobicContact CG2-CD2 3.81Å; T793-F797 HydrophobicContact CG2-CE2 3.48Å; T793-F797 VanDerWaalsContact CG2-CE2 3.48Å; T793-F797 HydrophobicContact CG2-CZ 4.35Å; T793-F797 VanDerWaalsContact O-CD2 3.22Å; T793-F797 WeakPolarHBondContact O-CD2 3.38Å; T793-F797 PolarHBondContact O-N 3.4Å; Q794-F797 PolarHBondContact O-N 3.37Å; F797-T799 VanDerWaalsContact C-N 3.25Å; F797-T799 PolarHBondContact O-N 3.47Å; F797-S800 WeakPolarHBondContact O-CB 3.17Å; F797-S800 PolarHBondContact O-N 3.45Å; F797-S800 VanDerWaalsContact O-N 3.14Å; F797-Q801 WeakPolarHBondContact O-CB 3.26Å; F797-Q801 PolarHBondContact O-N 2.95Å |
| 798 | A | 85.1 | Confident | 86.5 | Confident | 10 Ų | 10 | 33 Ų | 33 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.4 | -37.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q794 Q801 L802 V829 A832 | Q794-A798 WeakPolarHBondContact O-CB 3.49Å; Q794-A798 PolarHBondContact O-N 3.09Å; A798-Q801 VanDerWaalsContact O-CB 3.3Å; A798-Q801 WeakPolarHBondContact O-CB 3.42Å; A798-Q801 PolarHBondContact O-N 3.31Å; A798-L802 PolarHBondContact O-N 3Å; A798-V829 HydrophobicContact CB-CG2 4.09Å; A798-V829 WeakPolarHBondContact O-CG2 3.34Å; A798-A832 HydrophobicContact CB-CB 4.38Å |
| 799 | T | 88 | Confident | 86.5 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -75 | -34.5 | 177.1 | -48 | 0 | 0 | 0 | 0 | 112.4 | V761 A762 T765 C795 F797 Q801 L802 V803 | V761-T799 HydrophobicContact CB-CG2 4.38Å; V761-T799 HydrophobicContact CG1-CG2 3.82Å; A762-T799 VanDerWaalsContact CA-CG2 3.46Å; A762-T799 HydrophobicContact CB-CG2 3.94Å; T765-T799 WeakPolarHBondContact CB-OG1 3.47Å; T765-T799 WeakPolarHBondContact CG2-OG1 3.2Å; T765-T799 PolarHBondContact OG1-OG1 3.25Å; C795-T799 WeakPolarHBondContact O-CB 3.47Å; C795-T799 PolarHBondContact O-N 3.41Å; C795-T799 PolarHBondContact O-OG1 3.37Å; F797-T799 VanDerWaalsContact C-N 3.25Å; F797-T799 PolarHBondContact O-N 3.47Å; T799-Q801 VanDerWaalsContact C-N 3.27Å; T799-Q801 PolarHBondContact O-N 3.49Å; T799-L802 PolarHBondContact O-N 3.49Å; T799-V803 WeakPolarHBondContact O-CG2 3.13Å; T799-V803 PolarHBondContact O-N 3.3Å |
| 800 | S | 87 | Confident | 86.3 | Confident | 56 Ų | 56 | 30.7 Ų | 30.7 | 39% | 0.392 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.6 | -35.4 | 171.2 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | A796 F797 A804 | A796-S800 WeakPolarHBondContact O-CB 3.36Å; A796-S800 PolarHBondContact O-N 3.15Å; A796-S800 PolarHBondContact O-OG 3.07Å; F797-S800 WeakPolarHBondContact O-CB 3.17Å; F797-S800 PolarHBondContact O-N 3.45Å; F797-S800 VanDerWaalsContact O-N 3.14Å; S800-A804 PolarHBondContact O-N 3.24Å; S800-A804 VanDerWaalsContact O-N 3.08Å |
| 801 | Q | 86.3 | Confident | 85.9 | Confident | 14 Ų | 14 | 25.6 Ų | 25.6 | 7% | 0.065 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.6 | -47.3 | 173.2 | -164.2 | -173.1 | -67.8 | 0 | 0 | 110.7 | I644 F797 A798 T799 V803 A804 C805 | I644-Q801 HydrophobicContact CG2-CB 4.47Å; I644-Q801 HydrophobicContact CG2-CG 3.36Å; F797-Q801 WeakPolarHBondContact O-CB 3.26Å; F797-Q801 PolarHBondContact O-N 2.95Å; A798-Q801 VanDerWaalsContact O-CB 3.3Å; A798-Q801 WeakPolarHBondContact O-CB 3.42Å; A798-Q801 PolarHBondContact O-N 3.31Å; T799-Q801 VanDerWaalsContact C-N 3.27Å; T799-Q801 PolarHBondContact O-N 3.49Å; Q801-V803 PolarHBondContact O-N 3.29Å; Q801-A804 PolarHBondContact O-N 2.85Å; Q801-A804 VanDerWaalsContact O-N 3.15Å; Q801-C805 PolarHBondContact O-N 3.34Å; Q801-C805 PolarHBondContact O-SG 3.34Å |
| 802 | L | 88.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56 | -45.3 | 174.7 | 177.2 | 62.8 | 0 | 0 | 0 | 112.4 | V761 A798 T799 C805 A806 L822 A825 A826 V829 L864 L867 | V761-L802 HydrophobicContact CB-CD2 4.25Å; V761-L802 HydrophobicContact CG1-CD2 3.97Å; V761-L802 HydrophobicContact CG2-CD2 4.47Å; A798-L802 PolarHBondContact O-N 3Å; T799-L802 PolarHBondContact O-N 3.49Å; L802-C805 PolarHBondContact O-N 2.96Å; L802-A806 VanDerWaalsContact O-CB 3.3Å; L802-A806 WeakPolarHBondContact O-CB 3.36Å; L802-A806 PolarHBondContact O-N 3.2Å; L802-L822 HydrophobicContact CD1-CD1 3.67Å; L802-A825 HydrophobicContact CB-CB 4.5Å; L802-A825 HydrophobicContact CD1-CB 3.81Å; L802-A826 HydrophobicContact CD1-CB 4.27Å; L802-V829 HydrophobicContact CB-CG2 4.06Å; L802-V829 HydrophobicContact CD2-CG2 3.96Å; L802-L864 HydrophobicContact CD2-CD1 4.09Å; L802-L867 HydrophobicContact CD1-CD2 4.11Å; L802-L867 HydrophobicContact CD2-CD2 3.91Å; L802-L867 HydrophobicContact CG-CD2 4.34Å |
| 803 | V | 88.7 | Confident | 85.2 | Confident | 29 Ų | 29 | 25.6 Ų | 25.6 | 18% | 0.176 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.7 | -38.2 | 176.7 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | A758 A762 T799 Q801 R807 | A758-V803 HydrophobicContact CB-CG2 4.4Å; A758-V803 WeakPolarHBondContact O-CG2 3.26Å; A762-V803 HydrophobicContact CB-CG2 3.8Å; T799-V803 WeakPolarHBondContact O-CG2 3.13Å; T799-V803 PolarHBondContact O-N 3.3Å; Q801-V803 PolarHBondContact O-N 3.29Å; V803-R807 WeakPolarHBondContact O-CG 3.44Å; V803-R807 PolarHBondContact O-N 3.49Å; V803-R807 VanDerWaalsContact O-N 3.13Å |
| 804 | A | 85.4 | Confident | 84.5 | Confident | 8 Ų | 8 | 27.2 Ų | 27.2 | 7% | 0.066 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.2 | -46.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I644 L723 S800 Q801 R807 V808 | I644-A804 HydrophobicContact CD1-CB 4.42Å; L723-A804 HydrophobicContact CB-CB 4.23Å; L723-A804 HydrophobicContact CD2-CB 3.84Å; S800-A804 PolarHBondContact O-N 3.24Å; S800-A804 VanDerWaalsContact O-N 3.08Å; Q801-A804 PolarHBondContact O-N 2.85Å; Q801-A804 VanDerWaalsContact O-N 3.15Å; A804-R807 PolarHBondContact O-N 3.39Å; A804-V808 WeakPolarHBondContact O-CG2 3.46Å; A804-V808 PolarHBondContact O-N 3.46Å |
| 805 | C | 86.1 | Confident | 84 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.4 | -49.5 | 174.4 | -67.3 | 0 | 0 | 0 | 0 | 111 | A641 Q801 L802 R807 V808 V809 A825 | A641-C805 HydrophobicContact CB-CB 4.36Å; Q801-C805 PolarHBondContact O-N 3.34Å; Q801-C805 PolarHBondContact O-SG 3.34Å; L802-C805 PolarHBondContact O-N 2.96Å; C805-R807 VanDerWaalsContact C-N 3.28Å; C805-R807 PolarHBondContact O-N 3.43Å; C805-V808 PolarHBondContact O-N 3.25Å; C805-V809 VanDerWaalsContact O-CG2 3.3Å; C805-V809 WeakPolarHBondContact O-CG2 3.3Å; C805-V809 PolarHBondContact O-N 3.07Å; C805-A825 HydrophobicContact CB-CB 4.37Å |
| 806 | A | 87.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.8 | -40.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A758 L802 A810 L822 | A758-A806 HydrophobicContact CB-CB 3.61Å; L802-A806 VanDerWaalsContact O-CB 3.3Å; L802-A806 WeakPolarHBondContact O-CB 3.36Å; L802-A806 PolarHBondContact O-N 3.2Å; A806-A810 WeakPolarHBondContact O-CB 3.16Å; A806-A810 PolarHBondContact O-N 3.46Å; A806-L822 HydrophobicContact CB-CD1 3.95Å |
| 807 | R | 87 | Confident | 82.6 | Confident | 94 Ų | 94 | 24.7 Ų | 24.7 | 36% | 0.355 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -70.6 | -32.2 | 175.3 | -72.2 | -177.4 | 68.4 | -163.8 | 1.2 | 113.9 | D731 V755 V803 A804 C805 | D731-R807 IonicContact OD1-CZ 3.75Å; D731-R807 IonicContact OD1-NE 2.67Å; D731-R807 IonicContact OD1-NH2 3.59Å; D731-R807 PolarHBondContact OD1-NH2 3.25Å; D731-R807 IonicContact OD2-CZ 2.61Å; D731-R807 IonicContact OD2-NH2 3.83Å; D731-R807 PolarHBondContact OD2-NH2 3.02Å; V755-R807 HydrophobicContact CG1-CG 4.4Å; V803-R807 WeakPolarHBondContact O-CG 3.44Å; V803-R807 PolarHBondContact O-N 3.49Å; V803-R807 VanDerWaalsContact O-N 3.13Å; A804-R807 PolarHBondContact O-N 3.39Å; C805-R807 VanDerWaalsContact C-N 3.28Å; C805-R807 PolarHBondContact O-N 3.43Å |
| 808 | V | 86.9 | Confident | 82.3 | Confident | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -73.3 | -39 | 176.8 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | G637 T640 I644 A726 A804 C805 | G637-V808 VanDerWaalsContact O-CG1 3.25Å; G637-V808 WeakPolarHBondContact O-CG1 3.29Å; T640-V808 HydrophobicContact CG2-CG1 3.95Å; T640-V808 HydrophobicContact CG2-CG2 4.13Å; I644-V808 HydrophobicContact CD1-CG2 4.28Å; A726-V808 WeakPolarHBondContact O-CG2 3.31Å; A804-V808 WeakPolarHBondContact O-CG2 3.46Å; A804-V808 PolarHBondContact O-N 3.46Å; C805-V808 PolarHBondContact O-N 3.25Å |
| 809 | V | 86.9 | Confident | 82 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -95.1 | -18.3 | -173.4 | -55.4 | 0 | 0 | 0 | 0 | 115 | A641 C805 T812 I813 C818 L822 | A641-V809 HydrophobicContact CB-CG1 4.24Å; C805-V809 VanDerWaalsContact O-CG2 3.3Å; C805-V809 WeakPolarHBondContact O-CG2 3.3Å; C805-V809 PolarHBondContact O-N 3.07Å; V809-T812 CarbonylContact O-C 3.58Å; V809-T812 VanDerWaalsContact O-C 3.31Å; V809-T812 PolarHBondContact O-N 3.43Å; V809-T812 PolarHBondContact O-OG1 3.34Å; V809-I813 HydrophobicContact CG2-CD1 4.33Å; V809-I813 PolarHBondContact O-N 2.9Å; V809-C818 HydrophobicContact CB-CB 3.92Å; V809-C818 HydrophobicContact CG1-CB 4.13Å; V809-L822 HydrophobicContact CG2-CB 4.23Å; V809-L822 HydrophobicContact CG2-CD1 4.42Å; V809-L822 HydrophobicContact CG2-CD2 4.06Å; V809-L822 HydrophobicContact CG2-CG 4.49Å |
| 810 | A | 80.9 | Confident | 81.5 | Confident | 8 Ų | 8 | 26.1 Ų | 26.1 | 7% | 0.066 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -47.1 | -50 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q751 L754 V755 A806 T812 I813 | Q751-A810 VanDerWaalsContact CD-O 3.31Å; Q751-A810 VanDerWaalsContact CG-O 3.29Å; Q751-A810 WeakPolarHBondContact CG-O 3.24Å; L754-A810 HydrophobicContact CD2-CB 4.38Å; V755-A810 HydrophobicContact CG2-CB 3.9Å; A806-A810 WeakPolarHBondContact O-CB 3.16Å; A806-A810 PolarHBondContact O-N 3.46Å; A810-T812 PolarHBondContact O-N 3.01Å; A810-T812 VanDerWaalsContact O-N 3.09Å; A810-I813 PolarHBondContact O-N 3.22Å |
| 811 | P | 77 | Confident | 81.4 | Confident | 9 Ų | 9 | 25 Ų | 25 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -66.4 | -10.2 | -179.9 | 26.7 | -36.4 | 0 | 0 | 0 | 115 | H734 I737 | H734-P811 HydrophobicContact CB-CB 3.84Å; H734-P811 HydrophobicContact CB-CG 4.19Å; I737-P811 HydrophobicContact CD1-CB 4.27Å; I737-P811 WeakPolarHBondContact CD1-O 3.39Å |
| 812 | T | 78.9 | Confident | 81.3 | Confident | 8 Ų | 8 | 24.4 Ų | 24.4 | 5% | 0.049 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -134 | 28.1 | -175 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | L633 A634 I737 V809 A810 D814 S815 C818 | L633-T812 HydrophobicContact CB-CG2 4.43Å; A634-T812 HydrophobicContact CB-CG2 4.08Å; I737-T812 HydrophobicContact CD1-CG2 3.82Å; V809-T812 CarbonylContact O-C 3.58Å; V809-T812 VanDerWaalsContact O-C 3.31Å; V809-T812 PolarHBondContact O-N 3.43Å; V809-T812 PolarHBondContact O-OG1 3.34Å; A810-T812 PolarHBondContact O-N 3.01Å; A810-T812 VanDerWaalsContact O-N 3.09Å; T812-D814 PolarHBondContact O-N 2.89Å; T812-S815 WeakPolarHBondContact O-CB 3.42Å; T812-S815 PolarHBondContact O-N 3.4Å; T812-C818 WeakPolarHBondContact O-CB 3.35Å; T812-C818 PolarHBondContact OG1-SG 3.47Å |
| 813 | I | 79.1 | Confident | 81 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.7 | -172.8 | -165.9 | 60.2 | 0 | 0 | 0 | 113.7 | F750 Q751 L754 V809 A810 S815 Q819 L822 | F750-I813 HydrophobicContact CD1-CG2 4.02Å; F750-I813 HydrophobicContact CE1-CG1 4.09Å; F750-I813 HydrophobicContact CE1-CG2 3.9Å; Q751-I813 HydrophobicContact CG-CG2 4.43Å; L754-I813 HydrophobicContact CD2-CB 4.42Å; L754-I813 HydrophobicContact CD2-CD1 3.84Å; L754-I813 HydrophobicContact CD2-CG1 3.88Å; V809-I813 HydrophobicContact CG2-CD1 4.33Å; V809-I813 PolarHBondContact O-N 2.9Å; A810-I813 PolarHBondContact O-N 3.22Å; I813-S815 PolarHBondContact O-N 2.89Å; I813-Q819 HydrophobicContact CD1-CG 4.07Å; I813-Q819 VanDerWaalsContact O-CG 3.26Å; I813-Q819 WeakPolarHBondContact O-CG 3.44Å; I813-Q819 PolarHBondContact O-NE2 3.41Å; I813-L822 HydrophobicContact CD1-CD2 4.07Å |
| 814 | D | 72.5 | Confident | 80.5 | Confident | 94 Ų | 94 | 26.7 Ų | 26.7 | 50% | 0.503 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19.7 | 173.1 | -51.4 | -42.8 | 0 | 0 | 0 | 112.4 | T812 | T812-D814 PolarHBondContact O-N 2.89Š|
| 815 | S | 72.8 | Confident | 80.4 | Confident | 30 Ų | 30 | 26.3 Ų | 26.3 | 21% | 0.21 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -77.6 | 125.2 | 174.6 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | T812 I813 A817 C818 Q819 | T812-S815 WeakPolarHBondContact O-CB 3.42Å; T812-S815 PolarHBondContact O-N 3.4Å; I813-S815 PolarHBondContact O-N 2.89Å; S815-A817 VanDerWaalsContact C-N 3.28Å; S815-A817 PolarHBondContact O-N 3.43Å; S815-C818 WeakPolarHBondContact O-CB 3.37Å; S815-C818 PolarHBondContact O-N 2.88Å; S815-Q819 PolarHBondContact O-N 2.91Å |
| 816 | P | 71.9 | Confident | 80.4 | Confident | 35 Ų | 35 | 26.4 Ų | 26.4 | 23% | 0.227 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -35.8 | -179.4 | 23.9 | -33 | 0 | 0 | 0 | 112.3 | C818 Q819 E820 Q1005 | P816-C818 PolarHBondContact O-N 3.3Å; P816-Q819 WeakPolarHBondContact O-CA 3.47Å; P816-Q819 WeakPolarHBondContact O-CB 3.27Å; P816-Q819 PolarHBondContact O-N 3.24Å; P816-E820 WeakPolarHBondContact O-CG 3.49Å; P816-E820 PolarHBondContact O-N 3.45Å; P816-Q1005 HydrophobicContact CG-CG 4.01Å |
| 817 | A | 73.6 | Confident | 80 | Confident | 15 Ų | 15 | 32 Ų | 32 | 12% | 0.124 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.1 | -33.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A638 S815 Q821 M1107 | A638-A817 HydrophobicContact CB-CB 4.17Å; S815-A817 VanDerWaalsContact C-N 3.28Å; S815-A817 PolarHBondContact O-N 3.43Å; A817-Q821 WeakPolarHBondContact O-CG 3.02Å; A817-Q821 PolarHBondContact O-N 3.3Å; A817-M1107 HydrophobicContact CB-CE 4.12Å |
| 818 | C | 79.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73.4 | -38.5 | 174.2 | -79.8 | 0 | 0 | 0 | 0 | 112.4 | V809 T812 S815 P816 L822 | V809-C818 HydrophobicContact CB-CB 3.92Å; V809-C818 HydrophobicContact CG1-CB 4.13Å; T812-C818 WeakPolarHBondContact O-CB 3.35Å; T812-C818 PolarHBondContact OG1-SG 3.47Å; S815-C818 WeakPolarHBondContact O-CB 3.37Å; S815-C818 PolarHBondContact O-N 2.88Å; P816-C818 PolarHBondContact O-N 3.3Å; C818-L822 PolarHBondContact O-N 2.91Å; C818-L822 VanDerWaalsContact O-N 3.13Å |
| 819 | Q | 78.6 | Confident | 79.6 | Confident | 19 Ų | 19 | 29.7 Ų | 29.7 | 9% | 0.089 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64 | -40 | 175.1 | -61.4 | 176.4 | 5.3 | 0 | 0 | 111.8 | I813 S815 P816 L822 T823 V871 | I813-Q819 HydrophobicContact CD1-CG 4.07Å; I813-Q819 VanDerWaalsContact O-CG 3.26Å; I813-Q819 WeakPolarHBondContact O-CG 3.44Å; I813-Q819 PolarHBondContact O-NE2 3.41Å; S815-Q819 PolarHBondContact O-N 2.91Å; P816-Q819 WeakPolarHBondContact O-CA 3.47Å; P816-Q819 WeakPolarHBondContact O-CB 3.27Å; P816-Q819 PolarHBondContact O-N 3.24Å; Q819-L822 PolarHBondContact O-N 3.34Å; Q819-T823 WeakPolarHBondContact O-CB 3.36Å; Q819-T823 PolarHBondContact O-N 3.38Å; Q819-T823 PolarHBondContact O-OG1 3.04Å; Q819-V871 HydrophobicContact CB-CG1 4.11Å; Q819-V871 HydrophobicContact CG-CG1 4.44Å |
| 820 | E | 77.7 | Confident | 79.5 | Confident | 123 Ų | 123 | 31.1 Ų | 31.1 | 58% | 0.575 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -63.2 | -49 | 176.1 | -72.4 | -176.1 | 158.8 | 0 | 0 | 112.2 | P816 L822 T823 E824 | P816-E820 WeakPolarHBondContact O-CG 3.49Å; P816-E820 PolarHBondContact O-N 3.45Å; E820-L822 PolarHBondContact O-N 3.07Å; E820-T823 PolarHBondContact O-N 3.11Å; E820-T823 VanDerWaalsContact O-N 3.13Å; E820-E824 PolarHBondContact O-N 3.3Å |
| 821 | Q | 83.1 | Confident | 79.3 | Confident | 33 Ų | 33 | 35 Ų | 35 | 15% | 0.154 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -32.9 | 177.8 | -65.9 | -56.9 | -54.1 | 0 | 0 | 112 | A638 A641 Q645 A817 A825 | A638-Q821 HydrophobicContact CB-CG 4.24Å; A641-Q821 HydrophobicContact CB-CB 3.95Å; A641-Q821 HydrophobicContact CB-CG 4.33Å; Q645-Q821 PolarHBondContact NE2-O 3.4Å; A817-Q821 WeakPolarHBondContact O-CG 3.02Å; A817-Q821 PolarHBondContact O-N 3.3Å; Q821-A825 WeakPolarHBondContact O-CB 3.3Å; Q821-A825 PolarHBondContact O-N 3.41Å; Q821-A825 VanDerWaalsContact O-N 3.15Å |
| 822 | L | 85.7 | Confident | 79.6 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.3 | -39.4 | 174.5 | -170 | 56.7 | 0 | 0 | 0 | 112.3 | L754 L802 A806 V809 I813 C818 Q819 E820 A825 A826 V871 | L754-L822 HydrophobicContact CD1-CD2 3.82Å; L754-L822 HydrophobicContact CD2-CD2 3.93Å; L754-L822 HydrophobicContact CG-CD2 4.14Å; L802-L822 HydrophobicContact CD1-CD1 3.67Å; A806-L822 HydrophobicContact CB-CD1 3.95Å; V809-L822 HydrophobicContact CG2-CB 4.23Å; V809-L822 HydrophobicContact CG2-CD1 4.42Å; V809-L822 HydrophobicContact CG2-CD2 4.06Å; V809-L822 HydrophobicContact CG2-CG 4.49Å; I813-L822 HydrophobicContact CD1-CD2 4.07Å; C818-L822 PolarHBondContact O-N 2.91Å; C818-L822 VanDerWaalsContact O-N 3.13Å; Q819-L822 PolarHBondContact O-N 3.34Å; E820-L822 PolarHBondContact O-N 3.07Å; L822-A825 PolarHBondContact O-N 2.9Å; L822-A826 WeakPolarHBondContact O-CB 3.38Å; L822-A826 PolarHBondContact O-N 2.69Å; L822-V871 HydrophobicContact CD2-CG2 3.62Å; L822-V871 HydrophobicContact CG-CG2 4.23Å |
| 823 | T | 82 | Confident | 80 | Confident | 30 Ų | 30 | 34.6 Ų | 34.6 | 18% | 0.184 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | Q819 E820 A826 R827 L868 | Q819-T823 WeakPolarHBondContact O-CB 3.36Å; Q819-T823 PolarHBondContact O-N 3.38Å; Q819-T823 PolarHBondContact O-OG1 3.04Å; E820-T823 PolarHBondContact O-N 3.11Å; E820-T823 VanDerWaalsContact O-N 3.13Å; T823-A826 WeakPolarHBondContact O-CB 3.33Å; T823-A826 PolarHBondContact O-N 2.73Å; T823-R827 WeakPolarHBondContact O-CG 3.46Å; T823-R827 PolarHBondContact O-N 3.03Å; T823-L868 HydrophobicContact CG2-CD2 4.01Å |
| 824 | E | 78.6 | Confident | 80.2 | Confident | 48 Ų | 48 | 39.4 Ų | 39.4 | 22% | 0.224 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.6 | -38 | 176.2 | -175.7 | 52.9 | -150.5 | 0 | 0 | 111.8 | E820 A826 R827 Q828 R831 | E820-E824 PolarHBondContact O-N 3.3Å; E824-A826 VanDerWaalsContact C-N 3.26Å; E824-A826 PolarHBondContact O-N 3.45Å; E824-R827 PolarHBondContact O-N 2.79Å; E824-R827 WeakPolarHBondContact OE2-CD 3.48Å; E824-Q828 WeakPolarHBondContact O-CG 3.2Å; E824-Q828 PolarHBondContact O-N 3.09Å; E824-Q828 PolarHBondContact OE1-NE2 3.28Å; E824-R831 IonicContact OE1-CZ 2.91Å; E824-R831 IonicContact OE1-NH1 3.55Å; E824-R831 PolarHBondContact OE1-NH1 3.36Å; E824-R831 IonicContact OE2-NH1 2.74Å |
| 825 | A | 83.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.5 | -36.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L802 C805 Q821 L822 V829 | L802-A825 HydrophobicContact CB-CB 4.5Å; L802-A825 HydrophobicContact CD1-CB 3.81Å; C805-A825 HydrophobicContact CB-CB 4.37Å; Q821-A825 WeakPolarHBondContact O-CB 3.3Å; Q821-A825 PolarHBondContact O-N 3.41Å; Q821-A825 VanDerWaalsContact O-N 3.15Å; L822-A825 PolarHBondContact O-N 2.9Å; A825-V829 PolarHBondContact O-N 3.21Å |
| 826 | A | 84.8 | Confident | 81.4 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -45.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L802 L822 T823 E824 Q828 V829 A830 L864 L868 | L802-A826 HydrophobicContact CD1-CB 4.27Å; L822-A826 WeakPolarHBondContact O-CB 3.38Å; L822-A826 PolarHBondContact O-N 2.69Å; T823-A826 WeakPolarHBondContact O-CB 3.33Å; T823-A826 PolarHBondContact O-N 2.73Å; E824-A826 VanDerWaalsContact C-N 3.26Å; E824-A826 PolarHBondContact O-N 3.45Å; A826-Q828 VanDerWaalsContact C-N 3.3Å; A826-Q828 PolarHBondContact O-N 3.34Å; A826-V829 WeakPolarHBondContact O-CB 3.43Å; A826-V829 PolarHBondContact O-N 2.8Å; A826-A830 PolarHBondContact O-N 3.29Å; A826-L864 HydrophobicContact CB-CD1 3.79Å; A826-L864 HydrophobicContact CB-CG 4.38Å; A826-L864 WeakPolarHBondContact O-CD2 3.3Å; A826-L868 HydrophobicContact CB-CD2 3.71Å; A826-L868 HydrophobicContact CB-CG 4.18Å |
| 827 | R | 79.1 | Confident | 82 | Confident | 117 Ų | 117 | 37 Ų | 37 | 44% | 0.442 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.3 | -38.1 | 173.9 | -73.7 | 174 | 175.8 | 152.9 | -2.8 | 112.5 | T823 E824 V829 A830 R831 | T823-R827 WeakPolarHBondContact O-CG 3.46Å; T823-R827 PolarHBondContact O-N 3.03Å; E824-R827 PolarHBondContact O-N 2.79Å; E824-R827 WeakPolarHBondContact OE2-CD 3.48Å; R827-V829 VanDerWaalsContact C-N 3.3Å; R827-V829 PolarHBondContact O-N 3.05Å; R827-A830 WeakPolarHBondContact O-CB 3.25Å; R827-A830 PolarHBondContact O-N 3.45Å; R827-R831 WeakPolarHBondContact O-CG 3.39Å; R827-R831 PolarHBondContact O-N 3.33Å |
| 828 | Q | 80.8 | Confident | 82.4 | Confident | 50 Ų | 50 | 42 Ų | 42 | 23% | 0.234 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.7 | -35.1 | 174.1 | -73.4 | 174.3 | 20.4 | 0 | 0 | 112.4 | E824 A826 A832 | E824-Q828 WeakPolarHBondContact O-CG 3.2Å; E824-Q828 PolarHBondContact O-N 3.09Å; E824-Q828 PolarHBondContact OE1-NE2 3.28Å; A826-Q828 VanDerWaalsContact C-N 3.3Å; A826-Q828 PolarHBondContact O-N 3.34Å; Q828-A832 WeakPolarHBondContact O-CB 3.32Å; Q828-A832 PolarHBondContact O-N 2.95Å; Q828-A832 VanDerWaalsContact O-N 3.12Å |
| 829 | V | 85.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.5 | -44.8 | 171.4 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | V761 A798 L802 A825 A826 R827 R831 A832 V833 V860 L864 | V761-V829 HydrophobicContact CG1-CG1 4.01Å; A798-V829 HydrophobicContact CB-CG2 4.09Å; A798-V829 WeakPolarHBondContact O-CG2 3.34Å; L802-V829 HydrophobicContact CB-CG2 4.06Å; L802-V829 HydrophobicContact CD2-CG2 3.96Å; A825-V829 PolarHBondContact O-N 3.21Å; A826-V829 WeakPolarHBondContact O-CB 3.43Å; A826-V829 PolarHBondContact O-N 2.8Å; R827-V829 VanDerWaalsContact C-N 3.3Å; R827-V829 PolarHBondContact O-N 3.05Å; V829-R831 PolarHBondContact O-N 3Å; V829-A832 PolarHBondContact O-N 3.46Å; V829-V833 HydrophobicContact CG1-CG2 4.33Å; V829-V833 WeakPolarHBondContact O-CG2 3.23Å; V829-V833 PolarHBondContact O-N 3.36Å; V829-V860 HydrophobicContact CG1-CG1 4.32Å; V829-L864 HydrophobicContact CB-CD1 4.28Å; V829-L864 HydrophobicContact CG1-CD1 4.38Å |
| 830 | A | 83.4 | Confident | 82.8 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 25% | 0.248 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.1 | -53.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A826 R827 A832 V833 E834 L864 | A826-A830 PolarHBondContact O-N 3.29Å; R827-A830 WeakPolarHBondContact O-CB 3.25Å; R827-A830 PolarHBondContact O-N 3.45Å; A830-A832 VanDerWaalsContact C-N 3.27Å; A830-A832 PolarHBondContact O-N 3.18Å; A830-V833 WeakPolarHBondContact O-CB 3.39Å; A830-V833 PolarHBondContact O-N 3.02Å; A830-V833 VanDerWaalsContact O-N 3.07Å; A830-E834 PolarHBondContact O-N 3.44Å; A830-L864 HydrophobicContact CB-CD2 3.66Å |
| 831 | R | 77.4 | Confident | 83 | Confident | 88 Ų | 88 | 40 Ų | 40 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.1 | -40.1 | 177.3 | -68.2 | 178.2 | -174.2 | 129.6 | 3 | 112.1 | E824 R827 V829 Q835 N2034 | E824-R831 IonicContact OE1-CZ 2.91Å; E824-R831 IonicContact OE1-NH1 3.55Å; E824-R831 PolarHBondContact OE1-NH1 3.36Å; E824-R831 IonicContact OE2-NH1 2.74Å; R827-R831 WeakPolarHBondContact O-CG 3.39Å; R827-R831 PolarHBondContact O-N 3.33Å; V829-R831 PolarHBondContact O-N 3Å; R831-Q835 WeakPolarHBondContact O-CB 3.46Å; R831-Q835 PolarHBondContact O-N 3.01Å; R831-N2034 PolarHBondContact NE-OD1 2.85Å |
| 832 | A | 84.1 | Confident | 82.8 | Confident | 6 Ų | 6 | 44 Ų | 44 | 5% | 0.05 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71 | -31.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | C795 A798 Q828 V829 A830 L836 | C795-A832 HydrophobicContact CB-CB 4.03Å; A798-A832 HydrophobicContact CB-CB 4.38Å; Q828-A832 WeakPolarHBondContact O-CB 3.32Å; Q828-A832 PolarHBondContact O-N 2.95Å; Q828-A832 VanDerWaalsContact O-N 3.12Å; V829-A832 PolarHBondContact O-N 3.46Å; A830-A832 VanDerWaalsContact C-N 3.27Å; A830-A832 PolarHBondContact O-N 3.18Å; A832-L836 VanDerWaalsContact O-CB 3.27Å; A832-L836 WeakPolarHBondContact O-CB 3.42Å; A832-L836 PolarHBondContact O-N 2.78Å; A832-L836 VanDerWaalsContact O-N 3.12Å |
| 833 | V | 86.7 | Confident | 82.3 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69 | -45.1 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | L768 V829 A830 L836 L837 A857 V860 | L768-V833 HydrophobicContact CD2-CB 4.37Å; L768-V833 HydrophobicContact CD2-CG1 3.97Å; L768-V833 HydrophobicContact CD2-CG2 3.86Å; V829-V833 HydrophobicContact CG1-CG2 4.33Å; V829-V833 WeakPolarHBondContact O-CG2 3.23Å; V829-V833 PolarHBondContact O-N 3.36Å; A830-V833 WeakPolarHBondContact O-CB 3.39Å; A830-V833 PolarHBondContact O-N 3.02Å; A830-V833 VanDerWaalsContact O-N 3.07Å; V833-L836 PolarHBondContact O-N 2.74Å; V833-L837 PolarHBondContact O-N 3.32Å; V833-A857 HydrophobicContact CG1-CB 3.71Å; V833-V860 HydrophobicContact CG2-CB 4.35Å; V833-V860 HydrophobicContact CG2-CG1 3.77Å |
| 834 | E | 83.5 | Confident | 81.7 | Confident | 103 Ų | 103 | 43.8 Ų | 43.8 | 48% | 0.481 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.4 | -44.9 | 177.8 | -71 | 177.2 | 177.2 | 0 | 0 | 112.2 | A830 L836 L837 K838 | A830-E834 PolarHBondContact O-N 3.44Å; E834-L836 VanDerWaalsContact C-N 3.29Å; E834-L836 PolarHBondContact O-N 3.43Å; E834-L837 PolarHBondContact O-N 3.42Å; E834-K838 WeakPolarHBondContact O-CB 3.4Å; E834-K838 PolarHBondContact O-N 3Å |
| 835 | Q | 82.7 | Confident | 81.5 | Confident | 73 Ų | 73 | 51.8 Ų | 51.8 | 34% | 0.341 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.5 | -37.8 | 176.3 | -177.1 | 55.4 | 39.7 | 0 | 0 | 111.6 | R831 K838 D839 | R831-Q835 WeakPolarHBondContact O-CB 3.46Å; R831-Q835 PolarHBondContact O-N 3.01Å; Q835-K838 PolarHBondContact O-N 2.82Å; Q835-D839 PolarHBondContact NE2-OD1 3.08Å; Q835-D839 PolarHBondContact NE2-OD2 3.46Å; Q835-D839 PolarHBondContact O-N 3.4Å |
| 836 | L | 86.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 174 | 176.4 | 58.6 | 0 | 0 | 0 | 112.5 | L768 A772 V788 A792 C795 A832 V833 E834 K838 D839 A840 | L768-L836 HydrophobicContact CD1-CD2 4.33Å; L768-L836 HydrophobicContact CD2-CD2 3.98Å; L768-L836 HydrophobicContact CG-CD2 3.85Å; A772-L836 HydrophobicContact CB-CD1 3.92Å; A772-L836 HydrophobicContact CB-CD2 4.09Å; A772-L836 HydrophobicContact CB-CG 4.42Å; V788-L836 HydrophobicContact CG1-CD1 4.19Å; A792-L836 HydrophobicContact CB-CD1 3.89Å; A792-L836 HydrophobicContact CB-CD2 4.2Å; C795-L836 HydrophobicContact CB-CD2 4.4Å; A832-L836 VanDerWaalsContact O-CB 3.27Å; A832-L836 WeakPolarHBondContact O-CB 3.42Å; A832-L836 PolarHBondContact O-N 2.78Å; A832-L836 VanDerWaalsContact O-N 3.12Å; V833-L836 PolarHBondContact O-N 2.74Å; E834-L836 VanDerWaalsContact C-N 3.29Å; E834-L836 PolarHBondContact O-N 3.43Å; L836-K838 VanDerWaalsContact C-N 3.34Å; L836-K838 PolarHBondContact O-N 2.93Å; L836-D839 PolarHBondContact O-N 3.44Å; L836-A840 WeakPolarHBondContact O-CB 3.29Å; L836-A840 PolarHBondContact O-N 3.13Å |
| 837 | L | 85.6 | Confident | 80.7 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 19% | 0.194 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -46 | 174.6 | -76.7 | 176.3 | 0 | 0 | 0 | 111.2 | V833 E834 A840 E841 L853 K854 A857 | V833-L837 PolarHBondContact O-N 3.32Å; E834-L837 PolarHBondContact O-N 3.42Å; L837-A840 PolarHBondContact O-N 3.25Å; L837-E841 WeakPolarHBondContact O-CG 3.41Å; L837-E841 PolarHBondContact O-N 3.49Å; L837-L853 HydrophobicContact CD2-CD2 4.07Å; L837-L853 HydrophobicContact CD2-CG 4.11Å; L837-K854 HydrophobicContact CD2-CG 3.95Å; L837-A857 HydrophobicContact CD1-CB 3.71Å; L837-A857 HydrophobicContact CD2-CB 3.77Å; L837-A857 HydrophobicContact CG-CB 3.9Å |
| 838 | K | 82.6 | Confident | 80.8 | Confident | 118 Ų | 118 | 64.7 Ų | 64.7 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 179.9 | -172.8 | 173.4 | -177.1 | 173.9 | 0 | 112.8 | E834 Q835 L836 A840 M842 | E834-K838 WeakPolarHBondContact O-CB 3.4Å; E834-K838 PolarHBondContact O-N 3Å; Q835-K838 PolarHBondContact O-N 2.82Å; L836-K838 VanDerWaalsContact C-N 3.34Å; L836-K838 PolarHBondContact O-N 2.93Å; K838-A840 VanDerWaalsContact C-N 3.33Å; K838-M842 WeakPolarHBondContact O-CG 3.32Å; K838-M842 PolarHBondContact O-N 2.9Å |
| 839 | D | 84.3 | Confident | 80.7 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.6 | -32.5 | 176.1 | -72.3 | -31.9 | 0 | 0 | 0 | 112.1 | K787 V788 S791 Q835 L836 S843 | K787-D839 WeakPolarHBondContact CE-OD1 3.32Å; K787-D839 IonicContact NZ-OD1 2.8Å; K787-D839 PolarHBondContact NZ-OD1 3.34Å; K787-D839 IonicContact NZ-OD2 3.44Å; V788-D839 HydrophobicContact CG2-CB 4.34Å; S791-D839 PolarHBondContact OG-OD2 2.8Å; Q835-D839 PolarHBondContact NE2-OD1 3.08Å; Q835-D839 PolarHBondContact NE2-OD2 3.46Å; Q835-D839 PolarHBondContact O-N 3.4Å; L836-D839 PolarHBondContact O-N 3.44Å; D839-S843 VanDerWaalsContact O-CB 3.25Å; D839-S843 WeakPolarHBondContact O-CB 3.46Å; D839-S843 PolarHBondContact O-N 3.05Å; D839-S843 PolarHBondContact O-OG 2.96Å |
| 840 | A | 81.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.8 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V775 L836 L837 K838 M842 S843 C844 L853 | V775-A840 HydrophobicContact CG1-CB 4.26Å; L836-A840 WeakPolarHBondContact O-CB 3.29Å; L836-A840 PolarHBondContact O-N 3.13Å; L837-A840 PolarHBondContact O-N 3.25Å; K838-A840 VanDerWaalsContact C-N 3.33Å; A840-M842 VanDerWaalsContact C-N 3.34Å; A840-M842 PolarHBondContact O-N 3.38Å; A840-S843 WeakPolarHBondContact CA-OG 3.46Å; A840-S843 PolarHBondContact O-N 3.02Å; A840-S843 PolarHBondContact O-OG 2.82Å; A840-C844 PolarHBondContact O-N 2.73Å; A840-C844 VanDerWaalsContact O-N 3.09Å; A840-L853 HydrophobicContact CB-CD2 3.13Å |
| 841 | E | 82.4 | Confident | 80.5 | Confident | 99 Ų | 99 | 63.9 Ų | 63.9 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 174.9 | -77.3 | -174 | 152.8 | 0 | 0 | 112.4 | L837 S843 V850 K854 | L837-E841 WeakPolarHBondContact O-CG 3.41Å; L837-E841 PolarHBondContact O-N 3.49Å; E841-S843 VanDerWaalsContact C-N 3.27Å; E841-S843 PolarHBondContact O-N 3.03Å; E841-V850 HydrophobicContact CG-CG1 3.89Å; E841-K854 WeakPolarHBondContact OE1-CE 3.48Å; E841-K854 IonicContact OE1-NZ 2.7Å; E841-K854 PolarHBondContact OE1-NZ 2.75Å |
| 842 | M | 77.2 | Confident | 80.8 | Confident | 116 Ų | 116 | 62.4 Ų | 62.4 | 57% | 0.571 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -72.6 | -18.5 | 177.2 | -68.1 | -163.3 | -55.8 | 0 | 0 | 113.7 | K838 A840 | K838-M842 WeakPolarHBondContact O-CG 3.32Å; K838-M842 PolarHBondContact O-N 2.9Å; A840-M842 VanDerWaalsContact C-N 3.34Å; A840-M842 PolarHBondContact O-N 3.38Å |
| 843 | S | 75.2 | Confident | 80.9 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -104 | -20.8 | -172.1 | 64.5 | 0 | 0 | 0 | 0 | 114.8 | C779 V788 D839 A840 E841 | C779-S843 PolarHBondContact SG-O 2.71Å; V788-S843 VanDerWaalsContact CG2-OG 3.24Å; V788-S843 WeakPolarHBondContact CG2-OG 3.35Å; D839-S843 VanDerWaalsContact O-CB 3.25Å; D839-S843 WeakPolarHBondContact O-CB 3.46Å; D839-S843 PolarHBondContact O-N 3.05Å; D839-S843 PolarHBondContact O-OG 2.96Å; A840-S843 WeakPolarHBondContact CA-OG 3.46Å; A840-S843 PolarHBondContact O-N 3.02Å; A840-S843 PolarHBondContact O-OG 2.82Å; E841-S843 VanDerWaalsContact C-N 3.27Å; E841-S843 PolarHBondContact O-N 3.03Å |
| 844 | C | 70.7 | Confident | 80.9 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 8% | 0.081 | 32% | 0.322 | C | S | . | . | trans | -131.1 | 121.1 | -173.8 | -169.8 | 0 | 0 | 0 | 0 | 112.6 | V775 A840 D846 V850 | V775-C844 HydrophobicContact CG1-CB 3.55Å; A840-C844 PolarHBondContact O-N 2.73Å; A840-C844 VanDerWaalsContact O-N 3.09Å; C844-D846 VanDerWaalsContact C-N 3.34Å; C844-V850 HydrophobicContact CB-CG2 4.17Å; C844-V850 WeakPolarHBondContact O-CG2 3.44Å | ||
| 845 | K | 73.8 | Confident | 81 | Confident | 215 Ų | 215 | 67.2 Ų | 67.2 | 94% | 0.935 | 33% | 0.326 | S | S | * | . | trans | -83.8 | -6.1 | 177.5 | -62.6 | 177.8 | -176 | 168.5 | 0 | 114 | E847 | K845-E847 PolarHBondContact O-N 2.96Š| ||
| 846 | D | 75.8 | Confident | 81.1 | Confident | 59 Ų | 59 | 63.8 Ų | 63.8 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | trans | -81 | 95.3 | 179.3 | 176.7 | 8.4 | 0 | 0 | 0 | 110 | K778 C844 K848 S849 V850 | K778-D846 IonicContact NZ-OD2 2.71Å; K778-D846 PolarHBondContact NZ-OD2 2.65Å; C844-D846 VanDerWaalsContact C-N 3.34Å; D846-K848 PolarHBondContact O-N 3.02Å; D846-K848 WeakPolarHBondContact OD1-CB 3.45Å; D846-K848 PolarHBondContact OD1-N 3.25Å; D846-K848 VanDerWaalsContact OD1-N 3.15Å; D846-S849 PolarHBondContact O-N 3.33Å; D846-S849 PolarHBondContact OD2-OG 2.95Å; D846-V850 PolarHBondContact O-N 3.42Å | ||
| 847 | E | 76.2 | Confident | 81.1 | Confident | 175 Ų | 175 | 63.9 Ų | 63.9 | 82% | 0.818 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -49 | -33.4 | 179 | -69.4 | -171.1 | 147.7 | 0 | 0 | 113.1 | K845 G851 | K845-E847 PolarHBondContact O-N 2.96Å; E847-G851 PolarHBondContact O-N 2.95Å |
| 848 | K | 81.3 | Confident | 81.1 | Confident | 155 Ų | 155 | 64.2 Ų | 64.2 | 67% | 0.674 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.8 | -41.3 | 178.9 | -172 | 174 | -178.4 | 176.3 | 0 | 111.6 | D846 G851 D852 | D846-K848 PolarHBondContact O-N 3.02Å; D846-K848 WeakPolarHBondContact OD1-CB 3.45Å; D846-K848 PolarHBondContact OD1-N 3.25Å; D846-K848 VanDerWaalsContact OD1-N 3.15Å; K848-G851 PolarHBondContact O-N 3.16Å; K848-D852 WeakPolarHBondContact O-CB 3.43Å; K848-D852 PolarHBondContact O-N 3.23Å |
| 849 | S | 78 | Confident | 81.3 | Confident | 14 Ų | 14 | 62 Ų | 62 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69 | -36.5 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | K778 D846 L853 | K778-S849 WeakPolarHBondContact CD-OG 3.32Å; K778-S849 PolarHBondContact NZ-OG 3.04Å; D846-S849 PolarHBondContact O-N 3.33Å; D846-S849 PolarHBondContact OD2-OG 2.95Å; S849-L853 WeakPolarHBondContact O-CB 3.13Å; S849-L853 PolarHBondContact O-N 2.99Å |
| 850 | V | 81 | Confident | 81.4 | Confident | 15 Ų | 15 | 62 Ų | 62 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.9 | -37.1 | 172.7 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | E841 C844 D846 L853 K854 | E841-V850 HydrophobicContact CG-CG1 3.89Å; C844-V850 HydrophobicContact CB-CG2 4.17Å; C844-V850 WeakPolarHBondContact O-CG2 3.44Å; D846-V850 PolarHBondContact O-N 3.42Å; V850-L853 WeakPolarHBondContact O-CB 3.48Å; V850-L853 PolarHBondContact O-N 2.72Å; V850-K854 HydrophobicContact CG1-CD 4.31Å; V850-K854 WeakPolarHBondContact O-CG 3.37Å; V850-K854 PolarHBondContact O-N 3.48Å |
| 851 | G | 83.6 | Confident | 81.5 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | E847 K848 L853 K854 E855 | E847-G851 PolarHBondContact O-N 2.95Å; K848-G851 PolarHBondContact O-N 3.16Å; G851-L853 PolarHBondContact O-N 3.06Å; G851-K854 PolarHBondContact O-N 3.05Å; G851-K854 VanDerWaalsContact O-N 3.14Å; G851-E855 PolarHBondContact O-N 3.33Å |
| 852 | D | 84.3 | Confident | 81.6 | Confident | 58 Ų | 58 | 67.7 Ų | 67.7 | 31% | 0.31 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -54.3 | -39 | 172.1 | -90 | 42 | 0 | 0 | 0 | 112 | K771 K848 A856 | K771-D852 HydrophobicContact CD-CB 4.25Å; K771-D852 IonicContact NZ-OD2 2.66Å; K771-D852 PolarHBondContact NZ-OD2 3.26Å; K848-D852 WeakPolarHBondContact O-CB 3.43Å; K848-D852 PolarHBondContact O-N 3.23Å; D852-A856 WeakPolarHBondContact O-CB 3.44Å; D852-A856 PolarHBondContact O-N 2.75Å; D852-A856 VanDerWaalsContact O-N 3.12Å |
| 853 | L | 85.8 | Confident | 82 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.2 | -41.6 | 177.4 | -168.2 | 78.5 | 0 | 0 | 0 | 111.9 | L768 K771 A772 V775 L837 A840 S849 V850 G851 A856 A857 | L768-L853 HydrophobicContact CD1-CD1 3.57Å; L768-L853 HydrophobicContact CD1-CG 3.93Å; K771-L853 HydrophobicContact CB-CD1 3.76Å; A772-L853 HydrophobicContact CB-CD1 3.94Å; V775-L853 HydrophobicContact CG2-CB 4.38Å; V775-L853 HydrophobicContact CG2-CD2 4.48Å; L837-L853 HydrophobicContact CD2-CD2 4.07Å; L837-L853 HydrophobicContact CD2-CG 4.11Å; A840-L853 HydrophobicContact CB-CD2 3.13Å; S849-L853 WeakPolarHBondContact O-CB 3.13Å; S849-L853 PolarHBondContact O-N 2.99Å; V850-L853 WeakPolarHBondContact O-CB 3.48Å; V850-L853 PolarHBondContact O-N 2.72Å; G851-L853 PolarHBondContact O-N 3.06Å; L853-A856 PolarHBondContact O-N 3.36Å; L853-A857 WeakPolarHBondContact O-CB 3.2Å; L853-A857 PolarHBondContact O-N 3.4Å |
| 854 | K | 85.6 | Confident | 82.4 | Confident | 93 Ų | 93 | 63.1 Ų | 63.1 | 40% | 0.404 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 174.5 | -77.1 | 176.9 | 177.9 | -173.9 | 0 | 112 | L837 E841 V850 G851 A857 A858 | L837-K854 HydrophobicContact CD2-CG 3.95Å; E841-K854 WeakPolarHBondContact OE1-CE 3.48Å; E841-K854 IonicContact OE1-NZ 2.7Å; E841-K854 PolarHBondContact OE1-NZ 2.75Å; V850-K854 HydrophobicContact CG1-CD 4.31Å; V850-K854 WeakPolarHBondContact O-CG 3.37Å; V850-K854 PolarHBondContact O-N 3.48Å; G851-K854 PolarHBondContact O-N 3.05Å; G851-K854 VanDerWaalsContact O-N 3.14Å; K854-A857 PolarHBondContact O-N 2.9Å; K854-A858 WeakPolarHBondContact O-CB 3.22Å; K854-A858 PolarHBondContact O-N 2.95Å |
| 855 | E | 86.8 | Confident | 83 | Confident | 119 Ų | 119 | 65.5 Ų | 65.5 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.7 | -44.2 | 175.5 | -168.1 | -176.5 | 171.6 | 0 | 0 | 111.4 | G851 A857 A858 Q859 | G851-E855 PolarHBondContact O-N 3.33Å; E855-A857 VanDerWaalsContact C-N 3.33Å; E855-A857 PolarHBondContact O-N 3.2Å; E855-A858 PolarHBondContact O-N 2.76Å; E855-Q859 WeakPolarHBondContact O-CG 3.04Å; E855-Q859 PolarHBondContact O-N 3.34Å |
| 856 | A | 85.2 | Confident | 83.3 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L768 K771 D852 L853 Q859 V860 | L768-A856 HydrophobicContact CB-CB 4.29Å; L768-A856 HydrophobicContact CD1-CB 4.03Å; K771-A856 HydrophobicContact CG-CB 4.18Å; D852-A856 WeakPolarHBondContact O-CB 3.44Å; D852-A856 PolarHBondContact O-N 2.75Å; D852-A856 VanDerWaalsContact O-N 3.12Å; L853-A856 PolarHBondContact O-N 3.36Å; A856-Q859 WeakPolarHBondContact O-CB 3.47Å; A856-Q859 PolarHBondContact O-N 2.76Å; A856-V860 PolarHBondContact O-N 2.76Å; A856-V860 VanDerWaalsContact O-N 3.16Å |
| 857 | A | 85.9 | Confident | 83.7 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.017 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L768 V833 L837 L853 K854 E855 Q859 V860 S861 | L768-A857 HydrophobicContact CD1-CB 3.96Å; L768-A857 HydrophobicContact CD2-CB 4.39Å; V833-A857 HydrophobicContact CG1-CB 3.71Å; L837-A857 HydrophobicContact CD1-CB 3.71Å; L837-A857 HydrophobicContact CD2-CB 3.77Å; L837-A857 HydrophobicContact CG-CB 3.9Å; L853-A857 WeakPolarHBondContact O-CB 3.2Å; L853-A857 PolarHBondContact O-N 3.4Å; K854-A857 PolarHBondContact O-N 2.9Å; E855-A857 VanDerWaalsContact C-N 3.33Å; E855-A857 PolarHBondContact O-N 3.2Å; A857-Q859 PolarHBondContact O-N 2.72Å; A857-V860 CarbonylContact O-C 3.48Å; A857-V860 WeakPolarHBondContact O-CA 3.42Å; A857-V860 WeakPolarHBondContact O-CB 3.35Å; A857-V860 PolarHBondContact O-N 3.49Å; A857-S861 PolarHBondContact O-N 2.7Å; A857-S861 PolarHBondContact O-OG 3.36Å |
| 858 | A | 85.7 | Confident | 84 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 37% | 0.372 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.5 | -22.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K854 E855 R862 | K854-A858 WeakPolarHBondContact O-CB 3.22Å; K854-A858 PolarHBondContact O-N 2.95Å; E855-A858 PolarHBondContact O-N 2.76Å; A858-R862 WeakPolarHBondContact O-CB 3.4Å; A858-R862 WeakPolarHBondContact O-CG 3.23Å; A858-R862 PolarHBondContact O-N 3.2Å; A858-R862 PolarHBondContact O-NE 2.79Å; A858-R862 VanDerWaalsContact O-NE 3.08Å |
| 859 | Q | 85.7 | Confident | 83.7 | Confident | 72 Ų | 72 | 45.1 Ų | 45.1 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.9 | -43.5 | 167.3 | -68.6 | 170.1 | 8.6 | 0 | 0 | 111 | E855 A856 A857 R862 A863 | E855-Q859 WeakPolarHBondContact O-CG 3.04Å; E855-Q859 PolarHBondContact O-N 3.34Å; A856-Q859 WeakPolarHBondContact O-CB 3.47Å; A856-Q859 PolarHBondContact O-N 2.76Å; A857-Q859 PolarHBondContact O-N 2.72Å; Q859-R862 PolarHBondContact O-N 3.41Å; Q859-A863 PolarHBondContact O-N 3.27Å |
| 860 | V | 86.7 | Confident | 83.7 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 174.7 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | V761 L768 V829 V833 A856 A857 R862 A863 L864 | V761-V860 HydrophobicContact CG1-CG1 4.16Å; L768-V860 HydrophobicContact CB-CG2 4.19Å; L768-V860 HydrophobicContact CD2-CG2 4.13Å; V829-V860 HydrophobicContact CG1-CG1 4.32Å; V833-V860 HydrophobicContact CG2-CB 4.35Å; V833-V860 HydrophobicContact CG2-CG1 3.77Å; A856-V860 PolarHBondContact O-N 2.76Å; A856-V860 VanDerWaalsContact O-N 3.16Å; A857-V860 CarbonylContact O-C 3.48Å; A857-V860 WeakPolarHBondContact O-CA 3.42Å; A857-V860 WeakPolarHBondContact O-CB 3.35Å; A857-V860 PolarHBondContact O-N 3.49Å; V860-R862 VanDerWaalsContact C-N 3.35Å; V860-R862 PolarHBondContact O-N 2.95Å; V860-A863 PolarHBondContact O-N 2.95Å; V860-L864 WeakPolarHBondContact O-CB 3.44Å; V860-L864 PolarHBondContact O-N 3.02Å |
| 861 | S | 84.2 | Confident | 83.4 | Confident | 57 Ų | 57 | 45.7 Ų | 45.7 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 177.5 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | A857 L864 T865 | A857-S861 PolarHBondContact O-N 2.7Å; A857-S861 PolarHBondContact O-OG 3.36Å; S861-L864 WeakPolarHBondContact O-CB 3.33Å; S861-L864 PolarHBondContact O-N 3.03Å; S861-T865 PolarHBondContact O-N 2.84Å; S861-T865 PolarHBondContact O-OG1 3.37Å |
| 862 | R | 84.8 | Confident | 82.6 | Confident | 163 Ų | 163 | 50.9 Ų | 50.9 | 62% | 0.615 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 175.9 | -78.9 | -177.8 | -70.6 | 171.5 | -4.2 | 113 | A858 Q859 V860 L864 T865 A866 | A858-R862 WeakPolarHBondContact O-CB 3.4Å; A858-R862 WeakPolarHBondContact O-CG 3.23Å; A858-R862 PolarHBondContact O-N 3.2Å; A858-R862 PolarHBondContact O-NE 2.79Å; A858-R862 VanDerWaalsContact O-NE 3.08Å; Q859-R862 PolarHBondContact O-N 3.41Å; V860-R862 VanDerWaalsContact C-N 3.35Å; V860-R862 PolarHBondContact O-N 2.95Å; R862-L864 VanDerWaalsContact C-N 3.29Å; R862-L864 PolarHBondContact O-N 3.37Å; R862-T865 PolarHBondContact O-N 3.49Å; R862-A866 PolarHBondContact O-N 3.34Å |
| 863 | A | 84.9 | Confident | 81.5 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -36.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V761 Q859 V860 A866 L867 | V761-A863 HydrophobicContact CG2-CB 3.94Å; Q859-A863 PolarHBondContact O-N 3.27Å; V860-A863 PolarHBondContact O-N 2.95Å; A863-A866 PolarHBondContact O-N 3.02Å; A863-L867 PolarHBondContact O-N 3.32Å |
| 864 | L | 85.4 | Confident | 80.1 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.3 | -41.3 | 176.7 | -163 | 76.7 | 0 | 0 | 0 | 112.1 | V761 L802 A826 V829 A830 V860 S861 R862 A866 L867 L868 | V761-L864 HydrophobicContact CG1-CD1 4.12Å; V761-L864 HydrophobicContact CG2-CD1 4.24Å; L802-L864 HydrophobicContact CD2-CD1 4.09Å; A826-L864 HydrophobicContact CB-CD1 3.79Å; A826-L864 HydrophobicContact CB-CG 4.38Å; A826-L864 WeakPolarHBondContact O-CD2 3.3Å; V829-L864 HydrophobicContact CB-CD1 4.28Å; V829-L864 HydrophobicContact CG1-CD1 4.38Å; A830-L864 HydrophobicContact CB-CD2 3.66Å; V860-L864 WeakPolarHBondContact O-CB 3.44Å; V860-L864 PolarHBondContact O-N 3.02Å; S861-L864 WeakPolarHBondContact O-CB 3.33Å; S861-L864 PolarHBondContact O-N 3.03Å; R862-L864 VanDerWaalsContact C-N 3.29Å; R862-L864 PolarHBondContact O-N 3.37Å; L864-A866 VanDerWaalsContact C-N 3.33Å; L864-L867 PolarHBondContact O-N 3.3Å; L864-L868 HydrophobicContact CG-CD1 4.37Å; L864-L868 WeakPolarHBondContact O-CB 3.37Å; L864-L868 WeakPolarHBondContact O-CG 3.43Å; L864-L868 PolarHBondContact O-N 3.25Å |
| 865 | T | 81.7 | Confident | 78.4 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 39% | 0.387 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 172.8 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | S861 R862 L868 N869 | S861-T865 PolarHBondContact O-N 2.84Å; S861-T865 PolarHBondContact O-OG1 3.37Å; R862-T865 PolarHBondContact O-N 3.49Å; T865-L868 PolarHBondContact O-N 2.93Å; T865-N869 WeakPolarHBondContact O-CB 3.5Å; T865-N869 VanDerWaalsContact O-CG 3.22Å; T865-N869 PolarHBondContact O-N 3.43Å; T865-N869 PolarHBondContact O-OD1 3.43Å |
| 866 | A | 81.1 | Confident | 76.7 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L757 R862 A863 L864 H870 | L757-A866 HydrophobicContact CD2-CB 4.27Å; R862-A866 PolarHBondContact O-N 3.34Å; A863-A866 PolarHBondContact O-N 3.02Å; L864-A866 VanDerWaalsContact C-N 3.33Å; A866-H870 WeakPolarHBondContact O-CB 3.33Å; A866-H870 PolarHBondContact O-N 3.28Å |
| 867 | L | 84.5 | Confident | 74.8 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 174 | 179.3 | 64.9 | 0 | 0 | 0 | 112.2 | L754 L757 V761 L802 A863 L864 N869 H870 V871 | L754-L867 HydrophobicContact CD1-CD1 3.89Å; L757-L867 HydrophobicContact CB-CB 4.27Å; L757-L867 HydrophobicContact CB-CD1 3.79Å; V761-L867 HydrophobicContact CG2-CD2 4.38Å; L802-L867 HydrophobicContact CD1-CD2 4.11Å; L802-L867 HydrophobicContact CD2-CD2 3.91Å; L802-L867 HydrophobicContact CG-CD2 4.34Å; A863-L867 PolarHBondContact O-N 3.32Å; L864-L867 PolarHBondContact O-N 3.3Å; L867-N869 VanDerWaalsContact C-N 3.34Å; L867-N869 PolarHBondContact O-N 3.01Å; L867-H870 PolarHBondContact O-N 2.95Å; L867-V871 HydrophobicContact CD1-CG2 4.39Å; L867-V871 VanDerWaalsContact O-CG2 3.31Å; L867-V871 WeakPolarHBondContact O-CG2 3.46Å; L867-V871 PolarHBondContact O-N 3.48Å |
| 868 | L | 81.7 | Confident | 72.7 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 23% | 0.225 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 179.8 | -76 | 173.6 | 0 | 0 | 0 | 112.1 | T823 A826 L864 T865 V871 K872 | T823-L868 HydrophobicContact CG2-CD2 4.01Å; A826-L868 HydrophobicContact CB-CD2 3.71Å; A826-L868 HydrophobicContact CB-CG 4.18Å; L864-L868 HydrophobicContact CG-CD1 4.37Å; L864-L868 WeakPolarHBondContact O-CB 3.37Å; L864-L868 WeakPolarHBondContact O-CG 3.43Å; L864-L868 PolarHBondContact O-N 3.25Å; T865-L868 PolarHBondContact O-N 2.93Å; L868-V871 PolarHBondContact O-N 2.91Å; L868-K872 WeakPolarHBondContact O-CG 3.42Å; L868-K872 PolarHBondContact O-N 3.34Å |
| 869 | N | 74.6 | Confident | 70.7 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.3 | -46.5 | 173.9 | -72.2 | -0.5 | 0 | 0 | 0 | 110.8 | T865 L867 V871 K872 T873 | T865-N869 WeakPolarHBondContact O-CB 3.5Å; T865-N869 VanDerWaalsContact O-CG 3.22Å; T865-N869 PolarHBondContact O-N 3.43Å; T865-N869 PolarHBondContact O-OD1 3.43Å; L867-N869 VanDerWaalsContact C-N 3.34Å; L867-N869 PolarHBondContact O-N 3.01Å; N869-V871 VanDerWaalsContact C-N 3.28Å; N869-V871 PolarHBondContact O-N 2.91Å; N869-K872 PolarHBondContact O-N 3.34Å; N869-T873 WeakPolarHBondContact O-CG2 3.25Å; N869-T873 PolarHBondContact O-N 3.46Å; N869-T873 PolarHBondContact O-OG1 3.49Å; N869-T873 VanDerWaalsContact O-OG1 3.08Å |
| 870 | H | 78.1 | Confident | 68.4 | Low | 35 Ų | 35 | 62.4 Ų | 62.4 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.2 | -35.3 | 176.7 | -167.5 | 83.5 | 0 | 0 | 0 | 112.8 | F750 L757 A866 L867 T873 | F750-H870 AromaticContact CD2-CE1 3.55Å; F750-H870 AromaticContact CD2-NE2 3.38Å; F750-H870 WeakPolarHBondContact CD2-NE2 3.46Å; F750-H870 AromaticContact CE2-CD2 3.79Å; F750-H870 AromaticContact CE2-CE1 3.57Å; F750-H870 AromaticContact CE2-NE2 3.3Å; F750-H870 VanDerWaalsContact CE2-NE2 3.3Å; F750-H870 WeakPolarHBondContact CE2-NE2 3.35Å; F750-H870 AromaticContact CG-NE2 3.77Å; F750-H870 AromaticContact CZ-CD2 3.79Å; F750-H870 AromaticContact CZ-NE2 3.63Å; F750-H870 VanDerWaalsContact CZ-O 3.29Å; F750-H870 WeakPolarHBondContact CZ-O 3.46Å; F750-H870 PolarHBondContact O-NE2 3.34Å; L757-H870 HydrophobicContact CD1-CB 3.58Å; A866-H870 WeakPolarHBondContact O-CB 3.33Å; A866-H870 PolarHBondContact O-N 3.28Å; L867-H870 PolarHBondContact O-N 2.95Å; H870-T873 WeakPolarHBondContact CA-OG1 3.37Å; H870-T873 PolarHBondContact O-OG1 3.39Å |
| 871 | V | 76 | Confident | 66.4 | Low | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.03 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.1 | -36.8 | 173.5 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | L754 Q819 L822 L867 L868 N869 | L754-V871 HydrophobicContact CD1-CG2 3.67Å; Q819-V871 HydrophobicContact CB-CG1 4.11Å; Q819-V871 HydrophobicContact CG-CG1 4.44Å; L822-V871 HydrophobicContact CD2-CG2 3.62Å; L822-V871 HydrophobicContact CG-CG2 4.23Å; L867-V871 HydrophobicContact CD1-CG2 4.39Å; L867-V871 VanDerWaalsContact O-CG2 3.31Å; L867-V871 WeakPolarHBondContact O-CG2 3.46Å; L867-V871 PolarHBondContact O-N 3.48Å; L868-V871 PolarHBondContact O-N 2.91Å; N869-V871 VanDerWaalsContact C-N 3.28Å; N869-V871 PolarHBondContact O-N 2.91Å |
| 872 | K | 66.7 | Low | 64.7 | Low | 143 Ų | 143 | 68.9 Ų | 68.9 | 62% | 0.622 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67.8 | -44.5 | 175 | -77.2 | -177.1 | 175.1 | -167.7 | 0 | 111.6 | L868 N869 G874 | L868-K872 WeakPolarHBondContact O-CG 3.42Å; L868-K872 PolarHBondContact O-N 3.34Å; N869-K872 PolarHBondContact O-N 3.34Å; K872-G874 PolarHBondContact O-N 2.93Å |
| 873 | T | 59.9 | Low | 63.1 | Low | 86 Ų | 86 | 64.6 Ų | 64.6 | 53% | 0.528 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 41.2 | 177.2 | 63.6 | 0 | 0 | 0 | 0 | 112.6 | N869 H870 | N869-T873 WeakPolarHBondContact O-CG2 3.25Å; N869-T873 PolarHBondContact O-N 3.46Å; N869-T873 PolarHBondContact O-OG1 3.49Å; N869-T873 VanDerWaalsContact O-OG1 3.08Å; H870-T873 WeakPolarHBondContact CA-OG1 3.37Å; H870-T873 PolarHBondContact O-OG1 3.39Å |
| 874 | G | 56.5 | Low | 61.5 | Low | 6 Ų | 6 | 69.4 Ų | 69.4 | 6% | 0.062 | 38% | 0.382 | C | S | . | . | trans | -55.6 | 154.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | K872 E876 R877 | K872-G874 PolarHBondContact O-N 2.93Å; G874-E876 PolarHBondContact O-N 2.86Å; G874-R877 PolarHBondContact O-N 3.39Å | ||
| 875 | P | 50.8 | Low | 60.1 | Low | 80 Ų | 80 | 79.8 Ų | 79.8 | 52% | 0.519 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 124 | -169.3 | 18.7 | -31.4 | 0 | 0 | 0 | 112.4 | ||
| 876 | E | 50.9 | Low | 59 | Low | 133 Ų | 133 | 78.7 Ų | 78.7 | 62% | 0.621 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 18.7 | 174.8 | -52.5 | -161.7 | 128.3 | 0 | 0 | 119.7 | G874 A878 R993 Q997 | G874-E876 PolarHBondContact O-N 2.86Å; E876-A878 PolarHBondContact O-N 2.91Å; E876-A878 VanDerWaalsContact O-N 3.08Å; E876-R993 IonicContact OE1-NH2 3.34Å; E876-R993 PolarHBondContact OE1-NH2 3.21Å; E876-Q997 PolarHBondContact OE1-NE2 2.89Å; E876-Q997 PolarHBondContact OE2-NE2 3.37Å |
| 877 | R | 45.7 | Very low | 58.1 | Low | 101 Ų | 101 | 77 Ų | 77 | 38% | 0.381 | 40% | 0.396 | S | S | . | . | trans | -76.6 | 90.3 | 170.8 | -83.2 | -170.2 | 173.9 | 134.7 | 0.3 | 114 | G874 | G874-R877 PolarHBondContact O-N 3.39Š| ||
| 878 | A | 41 | Very low | 57.2 | Low | 44 Ų | 44 | 81 Ų | 81 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | trans | -111.2 | 135 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E876 | E876-A878 PolarHBondContact O-N 2.91Å; E876-A878 VanDerWaalsContact O-N 3.08Å | ||
| 879 | V | 43.5 | Very low | 56.7 | Low | 118 Ų | 118 | 83.9 Ų | 83.9 | 72% | 0.715 | 43% | 0.426 | S | S | * | . | trans | -90.2 | 138 | -176.2 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 880 | A | 37.8 | Very low | 56.7 | Low | 65 Ų | 65 | 79.7 Ų | 79.7 | 54% | 0.537 | 40% | 0.403 | S | S | . | . | trans | -65 | 150.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 881 | T | 45.9 | Very low | 56.5 | Low | 34 Ų | 34 | 79.8 Ų | 79.8 | 21% | 0.209 | 41% | 0.405 | C | S | . | . | trans | -117.3 | 162.8 | 161.9 | 51.8 | 0 | 0 | 0 | 0 | 110.1 | L991 | T881-L991 WeakPolarHBondContact O-CD2 3.4Š| ||
| 882 | E | 47.6 | Very low | 56.6 | Low | 161 Ų | 161 | 82.8 Ų | 82.8 | 75% | 0.752 | 42% | 0.423 | S | S | * | . | trans | -94.2 | 176.3 | 165.3 | -60.9 | -168.7 | 133.9 | 0 | 0 | 109.9 | ||||
| 883 | H | 51.3 | Low | 57.2 | Low | 73 Ų | 73 | 76.3 Ų | 76.3 | 34% | 0.338 | 40% | 0.395 | S | S | . | . | trans | 149.5 | 88.9 | 146.9 | -82.7 | 58.8 | 0 | 0 | 0 | 112.3 | H924 E928 | H883-H924 AromaticContact CD2-ND1 3.95Å; H883-H924 AromaticContact NE2-CG 3.81Å; H883-H924 AromaticContact NE2-ND1 3.23Å; H883-H924 PolarHBondContact NE2-ND1 3.12Å; H883-E928 IonicContact CE1-OE1 2.84Å; H883-E928 PolarHBondContact CE1-OE1 3.23Å; H883-E928 IonicContact ND1-OE1 2.86Å; H883-E928 PolarHBondContact ND1-OE1 3.07Å | ||
| 884 | D | 51.3 | Low | 58.1 | Low | 124 Ų | 124 | 72.2 Ų | 72.2 | 66% | 0.663 | 37% | 0.37 | S | S | * | . | trans | -98.6 | -12.7 | -171.5 | -161.6 | 23.7 | 0 | 0 | 0 | 114.8 | N888 | D884-N888 PolarHBondContact O-ND2 3.12Š| ||
| 885 | R | 55.1 | Low | 59.1 | Low | 229 Ų | 229 | 75.4 Ų | 75.4 | 86% | 0.864 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -89.1 | -38.6 | -163.7 | -132.2 | 178.3 | -170.9 | -178.9 | 3 | 115.5 | ||
| 886 | D | 58.7 | Low | 60.5 | Low | 40 Ų | 40 | 75.8 Ų | 75.8 | 21% | 0.214 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -83.1 | -27 | -179.5 | -69.5 | -47.8 | 0 | 0 | 0 | 112.5 | N888 R889 I890 | D886-N888 PolarHBondContact O-N 2.98Å; D886-R889 WeakPolarHBondContact O-CB 3.48Å; D886-R889 PolarHBondContact O-N 3.23Å; D886-R889 VanDerWaalsContact O-N 3.15Å; D886-I890 WeakPolarHBondContact O-CG1 3.42Å; D886-I890 PolarHBondContact O-N 3.5Å |
| 887 | L | 62 | Low | 61.9 | Low | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.9 | -51.2 | 176.8 | -167.3 | 111.7 | 0 | 0 | 0 | 112.1 | R889 I890 I891 T983 A987 E988 | L887-R889 PolarHBondContact O-N 3.41Å; L887-I890 PolarHBondContact O-N 3.5Å; L887-I890 VanDerWaalsContact O-N 3.13Å; L887-I891 HydrophobicContact CD2-CD1 3.87Å; L887-I891 HydrophobicContact CG-CD1 4.24Å; L887-I891 WeakPolarHBondContact O-CG1 3.35Å; L887-I891 PolarHBondContact O-N 3.37Å; L887-T983 HydrophobicContact CD1-CG2 3.74Å; L887-T983 HydrophobicContact CG-CG2 4.12Å; L887-A987 HydrophobicContact CD1-CB 3.46Å; L887-A987 VanDerWaalsContact CD1-CB 3.46Å; L887-E988 HydrophobicContact CD1-CB 4.5Å; L887-E988 HydrophobicContact CD2-CB 4.06Å; L887-E988 HydrophobicContact CD2-CG 4.31Å |
| 888 | N | 65.7 | Low | 63.4 | Low | 86 Ų | 86 | 67.1 Ų | 67.1 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.3 | -34.7 | 177.5 | -81 | -69.4 | 0 | 0 | 0 | 112.5 | D884 D886 T892 | D884-N888 PolarHBondContact O-ND2 3.12Å; D886-N888 PolarHBondContact O-N 2.98Å; N888-T892 VanDerWaalsContact O-CB 3.31Å; N888-T892 WeakPolarHBondContact O-CB 3.44Å; N888-T892 PolarHBondContact O-N 2.88Å; N888-T892 PolarHBondContact O-OG1 3.01Å |
| 889 | R | 71.8 | Confident | 65.1 | Low | 102 Ų | 102 | 68.6 Ų | 68.6 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.8 | -40.2 | 176.1 | -176.2 | 176.4 | 172.2 | -175.2 | -5.6 | 111.7 | D886 L887 T893 A917 | D886-R889 WeakPolarHBondContact O-CB 3.48Å; D886-R889 PolarHBondContact O-N 3.23Å; D886-R889 VanDerWaalsContact O-N 3.15Å; L887-R889 PolarHBondContact O-N 3.41Å; R889-T893 VanDerWaalsContact O-CB 3.3Å; R889-T893 WeakPolarHBondContact O-CB 3.36Å; R889-T893 PolarHBondContact O-N 2.76Å; R889-T893 PolarHBondContact O-OG1 3Å; R889-A917 HydrophobicContact CG-CB 4.11Å |
| 890 | I | 75 | Confident | 66.3 | Low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.9 | -53.3 | 175.4 | -68.5 | 168.4 | 0 | 0 | 0 | 110 | D886 L887 T892 T893 S894 L914 A917 L921 V979 T983 | D886-I890 WeakPolarHBondContact O-CG1 3.42Å; D886-I890 PolarHBondContact O-N 3.5Å; L887-I890 PolarHBondContact O-N 3.5Å; L887-I890 VanDerWaalsContact O-N 3.13Å; I890-T892 PolarHBondContact O-N 3.34Å; I890-T893 PolarHBondContact O-N 2.86Å; I890-T893 VanDerWaalsContact O-N 3.17Å; I890-S894 PolarHBondContact O-N 3.45Å; I890-S894 PolarHBondContact O-OG 3.01Å; I890-S894 VanDerWaalsContact O-OG 3.11Å; I890-L914 HydrophobicContact CB-CD1 4.21Å; I890-L914 HydrophobicContact CG1-CD1 4.44Å; I890-L914 HydrophobicContact CG2-CD1 3.71Å; I890-A917 HydrophobicContact CG1-CB 3.78Å; I890-L921 HydrophobicContact CD1-CB 4.16Å; I890-L921 HydrophobicContact CD1-CD2 3.56Å; I890-V979 HydrophobicContact CG2-CG1 4.18Å; I890-T983 HydrophobicContact CB-CG2 4.21Å; I890-T983 HydrophobicContact CD1-CG2 3.96Å; I890-T983 HydrophobicContact CG2-CG2 3.87Å |
| 891 | I | 73.5 | Confident | 67.6 | Low | 37 Ų | 37 | 67 Ų | 67 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.6 | -52.3 | -180 | -63.6 | 167.3 | 0 | 0 | 0 | 111 | L887 T893 S894 D895 | L887-I891 HydrophobicContact CD2-CD1 3.87Å; L887-I891 HydrophobicContact CG-CD1 4.24Å; L887-I891 WeakPolarHBondContact O-CG1 3.35Å; L887-I891 PolarHBondContact O-N 3.37Å; I891-T893 VanDerWaalsContact C-N 3.26Å; I891-T893 PolarHBondContact O-N 2.97Å; I891-S894 PolarHBondContact O-N 3.42Å; I891-D895 PolarHBondContact O-N 2.89Å; I891-D895 VanDerWaalsContact O-N 3.08Å |
| 892 | T | 77.7 | Confident | 68.5 | Low | 69 Ų | 69 | 68.9 Ų | 68.9 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.7 | -31.9 | -179.2 | -53.3 | 0 | 0 | 0 | 0 | 112.8 | N888 I890 K896 | N888-T892 VanDerWaalsContact O-CB 3.31Å; N888-T892 WeakPolarHBondContact O-CB 3.44Å; N888-T892 PolarHBondContact O-N 2.88Å; N888-T892 PolarHBondContact O-OG1 3.01Å; I890-T892 PolarHBondContact O-N 3.34Å; T892-K896 WeakPolarHBondContact O-CG 3.48Å; T892-K896 PolarHBondContact O-N 3Å |
| 893 | T | 79.1 | Confident | 69.6 | Low | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -82.4 | -31.8 | -179.9 | -48.1 | 0 | 0 | 0 | 0 | 111.6 | R889 I890 I891 K896 L897 Q910 V913 L914 | R889-T893 VanDerWaalsContact O-CB 3.3Å; R889-T893 WeakPolarHBondContact O-CB 3.36Å; R889-T893 PolarHBondContact O-N 2.76Å; R889-T893 PolarHBondContact O-OG1 3Å; I890-T893 PolarHBondContact O-N 2.86Å; I890-T893 VanDerWaalsContact O-N 3.17Å; I891-T893 VanDerWaalsContact C-N 3.26Å; I891-T893 PolarHBondContact O-N 2.97Å; T893-K896 PolarHBondContact O-N 3.33Å; T893-L897 WeakPolarHBondContact O-CB 3.45Å; T893-L897 PolarHBondContact O-N 2.8Å; T893-Q910 HydrophobicContact CG2-CB 4.38Å; T893-Q910 WeakPolarHBondContact CG2-O 3.06Å; T893-V913 HydrophobicContact CG2-CB 3.97Å; T893-V913 HydrophobicContact CG2-CG1 3.86Å; T893-L914 HydrophobicContact CG2-CB 3.82Å |
| 894 | S | 79.5 | Confident | 70.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 170.5 | -63 | 0 | 0 | 0 | 0 | 111.8 | I890 I891 K896 L897 I898 L914 | I890-S894 PolarHBondContact O-N 3.45Å; I890-S894 PolarHBondContact O-OG 3.01Å; I890-S894 VanDerWaalsContact O-OG 3.11Å; I891-S894 PolarHBondContact O-N 3.42Å; S894-K896 VanDerWaalsContact C-N 3.3Å; S894-K896 PolarHBondContact O-N 3.3Å; S894-L897 PolarHBondContact O-N 2.9Å; S894-I898 WeakPolarHBondContact O-CG1 3.43Å; S894-I898 PolarHBondContact O-N 3.47Å; S894-L914 WeakPolarHBondContact OG-CD2 3.28Å |
| 895 | D | 77.9 | Confident | 71.8 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 176 | -71.2 | -23.9 | 0 | 0 | 0 | 111.5 | I891 I898 S899 R980 | I891-D895 PolarHBondContact O-N 2.89Å; I891-D895 VanDerWaalsContact O-N 3.08Å; D895-I898 PolarHBondContact O-N 3.28Å; D895-S899 WeakPolarHBondContact O-CB 3.43Å; D895-S899 PolarHBondContact O-N 3.4Å; D895-R980 IonicContact OD1-CZ 2.62Å; D895-R980 IonicContact OD1-NH1 3.75Å; D895-R980 PolarHBondContact OD1-NH1 2.97Å; D895-R980 IonicContact OD2-NH1 2.72Å |
| 896 | K | 80.3 | Confident | 72.7 | Confident | 89 Ų | 89 | 53.2 Ų | 53.2 | 39% | 0.387 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 172.7 | -74.8 | 170 | -174.7 | 171 | 0 | 112.1 | T892 T893 S894 I898 S899 Y900 Q910 | T892-K896 WeakPolarHBondContact O-CG 3.48Å; T892-K896 PolarHBondContact O-N 3Å; T893-K896 PolarHBondContact O-N 3.33Å; S894-K896 VanDerWaalsContact C-N 3.3Å; S894-K896 PolarHBondContact O-N 3.3Å; K896-I898 VanDerWaalsContact C-N 3.28Å; K896-I898 PolarHBondContact O-N 3.02Å; K896-S899 WeakPolarHBondContact CA-OG 3.41Å; K896-S899 PolarHBondContact O-N 3.19Å; K896-S899 PolarHBondContact O-OG 3.35Å; K896-Y900 HydrophobicContact CB-CD2 4.21Å; K896-Y900 HydrophobicContact CB-CE2 4.11Å; K896-Y900 HydrophobicContact CG-CE2 4.33Å; K896-Y900 WeakPolarHBondContact O-CD2 3.1Å; K896-Y900 PolarHBondContact O-N 2.91Å; K896-Q910 HydrophobicContact CB-CG 4.17Å |
| 897 | L | 80.2 | Confident | 73.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 178.4 | -178.7 | 60 | 0 | 0 | 0 | 111.9 | T893 S894 M907 Q910 A911 L914 M952 L972 A976 | T893-L897 WeakPolarHBondContact O-CB 3.45Å; T893-L897 PolarHBondContact O-N 2.8Å; S894-L897 PolarHBondContact O-N 2.9Å; L897-M907 HydrophobicContact CD1-CG 3.88Å; L897-M907 WeakPolarHBondContact CD1-O 3.33Å; L897-Q910 HydrophobicContact CB-CB 4.2Å; L897-Q910 HydrophobicContact CD1-CB 4.23Å; L897-A911 HydrophobicContact CD1-CB 4.09Å; L897-A911 HydrophobicContact CD2-CB 4.31Å; L897-L914 HydrophobicContact CD2-CD2 3.9Å; L897-M952 HydrophobicContact CD2-CG 4Å; L897-M952 HydrophobicContact CD2-SD 3.8Å; L897-L972 HydrophobicContact CD1-CD1 4.36Å; L897-L972 HydrophobicContact CD1-CD2 4.4Å; L897-L972 HydrophobicContact CD2-CD1 4.01Å; L897-L972 HydrophobicContact CG-CD1 4.22Å; L897-A976 HydrophobicContact CD2-CB 4.32Å |
| 898 | I | 76.7 | Confident | 74.5 | Confident | 51 Ų | 51 | 54.2 Ų | 54.2 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 174.6 | -65.1 | 166 | 0 | 0 | 0 | 111.3 | S894 D895 K896 T901 A976 | S894-I898 WeakPolarHBondContact O-CG1 3.43Å; S894-I898 PolarHBondContact O-N 3.47Å; D895-I898 PolarHBondContact O-N 3.28Å; K896-I898 VanDerWaalsContact C-N 3.28Å; K896-I898 PolarHBondContact O-N 3.02Å; I898-T901 WeakPolarHBondContact O-CG2 3.32Å; I898-A976 HydrophobicContact CD1-CB 4.24Å; I898-A976 HydrophobicContact CG1-CB 4.08Å |
| 899 | S | 76.4 | Confident | 75.3 | Confident | 76 Ų | 76 | 57.3 Ų | 57.3 | 53% | 0.531 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73 | -26.8 | 179.3 | 77.4 | 0 | 0 | 0 | 0 | 114.8 | D895 K896 | D895-S899 WeakPolarHBondContact O-CB 3.43Å; D895-S899 PolarHBondContact O-N 3.4Å; K896-S899 WeakPolarHBondContact CA-OG 3.41Å; K896-S899 PolarHBondContact O-N 3.19Å; K896-S899 PolarHBondContact O-OG 3.35Å |
| 900 | Y | 69 | Low | 75.9 | Confident | 104 Ų | 104 | 53.5 Ų | 53.5 | 41% | 0.408 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 26.1 | -174 | -67.6 | -58.9 | 0 | 0 | 0 | 114.5 | K896 G902 S903 E906 Q910 | K896-Y900 HydrophobicContact CB-CD2 4.21Å; K896-Y900 HydrophobicContact CB-CE2 4.11Å; K896-Y900 HydrophobicContact CG-CE2 4.33Å; K896-Y900 WeakPolarHBondContact O-CD2 3.1Å; K896-Y900 PolarHBondContact O-N 2.91Å; Y900-G902 PolarHBondContact O-N 3.05Å; Y900-S903 PolarHBondContact O-N 3.33Å; Y900-E906 HydrophobicContact CD1-CG 4.15Å; Y900-E906 HydrophobicContact CD2-CG 3.86Å; Y900-E906 HydrophobicContact CE2-CG 4.23Å; Y900-E906 HydrophobicContact CG-CB 4.45Å; Y900-E906 HydrophobicContact CG-CG 3.83Å; Y900-Q910 HydrophobicContact CD2-CG 4.01Å |
| 901 | T | 65 | Low | 76.3 | Confident | 44 Ų | 44 | 53.8 Ų | 53.8 | 27% | 0.27 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -23.4 | 179.7 | 43.1 | 0 | 0 | 0 | 0 | 114.8 | I898 M907 | I898-T901 WeakPolarHBondContact O-CG2 3.32Å; T901-M907 VanDerWaalsContact O-CE 3.23Å; T901-M907 WeakPolarHBondContact O-CE 3.38Å |
| 902 | G | 65 | Low | 76.8 | Confident | 75 Ų | 75 | 58.2 Ų | 58.2 | 77% | 0.773 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y900 | Y900-G902 PolarHBondContact O-N 3.05Š|
| 903 | S | 69.5 | Low | 77.2 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 36% | 0.357 | 31% | 0.307 | S | S | . | . | trans | -133.1 | 103.6 | -178 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | Y900 N905 E906 M907 | Y900-S903 PolarHBondContact O-N 3.33Å; S903-N905 VanDerWaalsContact C-N 3.28Å; S903-N905 PolarHBondContact O-N 3.3Å; S903-E906 PolarHBondContact O-N 3.23Å; S903-E906 VanDerWaalsContact O-N 3.16Å; S903-M907 VanDerWaalsContact O-CB 3.23Å; S903-M907 WeakPolarHBondContact O-CB 3.4Å; S903-M907 PolarHBondContact O-N 3.3Å | ||
| 904 | A | 71.7 | Confident | 77.5 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 24% | 0.24 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.7 | -39.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I908 A960 P963 | A904-I908 WeakPolarHBondContact O-CG1 3.39Å; A904-I908 PolarHBondContact O-N 3Å; A904-I908 VanDerWaalsContact O-N 3.11Å; A904-A960 HydrophobicContact CB-CB 4.06Å; A904-P963 HydrophobicContact CB-CG 4.25Å |
| 905 | N | 76.9 | Confident | 77.7 | Confident | 138 Ų | 138 | 57.2 Ų | 57.2 | 74% | 0.738 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -69.7 | -42.3 | 179.3 | -74.1 | -31.5 | 0 | 0 | 0 | 112.3 | S903 R909 | S903-N905 VanDerWaalsContact C-N 3.28Å; S903-N905 PolarHBondContact O-N 3.3Å; N905-R909 WeakPolarHBondContact O-CB 3.42Å; N905-R909 PolarHBondContact O-N 3.43Å; N905-R909 VanDerWaalsContact O-N 3.13Å |
| 906 | E | 75 | Confident | 78 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 19% | 0.187 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.3 | -34.9 | -179.1 | -163.8 | 57.5 | -147.2 | 0 | 0 | 111 | Y900 S903 R909 Q910 | Y900-E906 HydrophobicContact CD1-CG 4.15Å; Y900-E906 HydrophobicContact CD2-CG 3.86Å; Y900-E906 HydrophobicContact CE2-CG 4.23Å; Y900-E906 HydrophobicContact CG-CB 4.45Å; Y900-E906 HydrophobicContact CG-CG 3.83Å; S903-E906 PolarHBondContact O-N 3.23Å; S903-E906 VanDerWaalsContact O-N 3.16Å; E906-R909 WeakPolarHBondContact O-CB 3.38Å; E906-R909 PolarHBondContact O-N 2.99Å; E906-R909 IonicContact OE1-NH1 3.93Å; E906-R909 WeakPolarHBondContact OE2-CD 3.45Å; E906-R909 IonicContact OE2-NH1 3.44Å; E906-R909 PolarHBondContact OE2-NH1 3.41Å; E906-Q910 HydrophobicContact CG-CG 4.44Å; E906-Q910 WeakPolarHBondContact O-CG 3.48Å; E906-Q910 PolarHBondContact O-N 3.01Å; E906-Q910 PolarHBondContact OE1-NE2 3.07Å |
| 907 | M | 77.2 | Confident | 78 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.1 | -50.9 | 170.8 | -177.5 | -167.4 | -57.1 | 0 | 0 | 112.2 | L897 T901 S903 R909 Q910 A911 C959 A960 L972 | L897-M907 HydrophobicContact CD1-CG 3.88Å; L897-M907 WeakPolarHBondContact CD1-O 3.33Å; T901-M907 VanDerWaalsContact O-CE 3.23Å; T901-M907 WeakPolarHBondContact O-CE 3.38Å; S903-M907 VanDerWaalsContact O-CB 3.23Å; S903-M907 WeakPolarHBondContact O-CB 3.4Å; S903-M907 PolarHBondContact O-N 3.3Å; M907-R909 VanDerWaalsContact C-N 3.27Å; M907-R909 PolarHBondContact O-N 3.29Å; M907-Q910 PolarHBondContact O-N 3.42Å; M907-A911 VanDerWaalsContact O-CB 3.25Å; M907-A911 WeakPolarHBondContact O-CB 3.49Å; M907-A911 PolarHBondContact O-N 3.08Å; M907-C959 HydrophobicContact CE-CB 4.24Å; M907-C959 HydrophobicContact SD-CB 3.64Å; M907-A960 HydrophobicContact SD-CB 4.21Å; M907-L972 HydrophobicContact CE-CD2 4.13Å; M907-L972 HydrophobicContact CG-CD2 3.73Å; M907-L972 HydrophobicContact SD-CD2 3.56Å; M907-L972 VanDerWaalsContact SD-CD2 3.56Å |
| 908 | I | 81.3 | Confident | 78.2 | Confident | 68 Ų | 68 | 54 Ų | 54 | 35% | 0.349 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 175.4 | -70.8 | 170.2 | 0 | 0 | 0 | 110.8 | A904 K912 A960 | A904-I908 WeakPolarHBondContact O-CG1 3.39Å; A904-I908 PolarHBondContact O-N 3Å; A904-I908 VanDerWaalsContact O-N 3.11Å; I908-K912 HydrophobicContact CG2-CD 4.49Å; I908-K912 WeakPolarHBondContact O-CG 3.3Å; I908-K912 PolarHBondContact O-N 2.99Å; I908-A960 HydrophobicContact CD1-CB 3.58Å; I908-A960 HydrophobicContact CG1-CB 3.63Å |
| 909 | R | 82.3 | Confident | 78.5 | Confident | 152 Ų | 152 | 55.5 Ų | 55.5 | 57% | 0.574 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66 | -49.3 | 179.9 | -172.7 | -173.9 | -176.1 | -169.1 | 3.1 | 112.1 | N905 E906 M907 K912 V913 | N905-R909 WeakPolarHBondContact O-CB 3.42Å; N905-R909 PolarHBondContact O-N 3.43Å; N905-R909 VanDerWaalsContact O-N 3.13Å; E906-R909 WeakPolarHBondContact O-CB 3.38Å; E906-R909 PolarHBondContact O-N 2.99Å; E906-R909 IonicContact OE1-NH1 3.93Å; E906-R909 WeakPolarHBondContact OE2-CD 3.45Å; E906-R909 IonicContact OE2-NH1 3.44Å; E906-R909 PolarHBondContact OE2-NH1 3.41Å; M907-R909 VanDerWaalsContact C-N 3.27Å; M907-R909 PolarHBondContact O-N 3.29Å; R909-K912 WeakPolarHBondContact O-CB 3.32Å; R909-K912 PolarHBondContact O-N 3.32Å; R909-V913 WeakPolarHBondContact O-CG2 3.35Å; R909-V913 PolarHBondContact O-N 3.02Å |
| 910 | Q | 84.7 | Confident | 78.6 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -38.8 | 177.5 | -61.6 | -58.5 | -37.8 | 0 | 0 | 111.1 | T893 K896 L897 Y900 E906 M907 K912 V913 L914 | T893-Q910 HydrophobicContact CG2-CB 4.38Å; T893-Q910 WeakPolarHBondContact CG2-O 3.06Å; K896-Q910 HydrophobicContact CB-CG 4.17Å; L897-Q910 HydrophobicContact CB-CB 4.2Å; L897-Q910 HydrophobicContact CD1-CB 4.23Å; Y900-Q910 HydrophobicContact CD2-CG 4.01Å; E906-Q910 HydrophobicContact CG-CG 4.44Å; E906-Q910 WeakPolarHBondContact O-CG 3.48Å; E906-Q910 PolarHBondContact O-N 3.01Å; E906-Q910 PolarHBondContact OE1-NE2 3.07Å; M907-Q910 PolarHBondContact O-N 3.42Å; Q910-K912 VanDerWaalsContact C-N 3.3Å; Q910-K912 PolarHBondContact O-N 2.97Å; Q910-V913 PolarHBondContact O-N 3.35Å; Q910-L914 VanDerWaalsContact O-CB 3.24Å; Q910-L914 WeakPolarHBondContact O-CB 3.41Å; Q910-L914 PolarHBondContact O-N 3.35Å |
| 911 | A | 83.6 | Confident | 79.1 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -34.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | L897 M907 A915 M952 A956 | L897-A911 HydrophobicContact CD1-CB 4.09Å; L897-A911 HydrophobicContact CD2-CB 4.31Å; M907-A911 VanDerWaalsContact O-CB 3.25Å; M907-A911 WeakPolarHBondContact O-CB 3.49Å; M907-A911 PolarHBondContact O-N 3.08Å; A911-A915 VanDerWaalsContact O-CB 3.26Å; A911-A915 WeakPolarHBondContact O-CB 3.48Å; A911-A915 PolarHBondContact O-N 2.8Å; A911-M952 HydrophobicContact CB-CE 4.4Å; A911-A956 HydrophobicContact CB-CB 3.62Å |
| 912 | K | 84.7 | Confident | 79.8 | Confident | 131 Ų | 131 | 50.3 Ų | 50.3 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.9 | -48.9 | 171.4 | -78.6 | -179.2 | 176.2 | -171.8 | 0 | 112.4 | I908 R909 Q910 L914 A915 E916 | I908-K912 HydrophobicContact CG2-CD 4.49Å; I908-K912 WeakPolarHBondContact O-CG 3.3Å; I908-K912 PolarHBondContact O-N 2.99Å; R909-K912 WeakPolarHBondContact O-CB 3.32Å; R909-K912 PolarHBondContact O-N 3.32Å; Q910-K912 VanDerWaalsContact C-N 3.3Å; Q910-K912 PolarHBondContact O-N 2.97Å; K912-L914 PolarHBondContact O-N 3.37Å; K912-A915 PolarHBondContact O-N 3.22Å; K912-A915 VanDerWaalsContact O-N 3.15Å; K912-E916 WeakPolarHBondContact O-CG 3.47Å; K912-E916 PolarHBondContact O-N 3Å |
| 913 | V | 84.7 | Confident | 80.6 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -36.1 | 179 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | T893 R909 Q910 A917 | T893-V913 HydrophobicContact CG2-CB 3.97Å; T893-V913 HydrophobicContact CG2-CG1 3.86Å; R909-V913 WeakPolarHBondContact O-CG2 3.35Å; R909-V913 PolarHBondContact O-N 3.02Å; Q910-V913 PolarHBondContact O-N 3.35Å; V913-A917 WeakPolarHBondContact O-CB 3.5Å; V913-A917 PolarHBondContact O-N 3.13Å |
| 914 | L | 85.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.7 | -44.4 | 175 | -175.1 | 46.1 | 0 | 0 | 0 | 111.4 | I890 T893 S894 L897 Q910 K912 E916 A917 T918 M952 V979 | I890-L914 HydrophobicContact CB-CD1 4.21Å; I890-L914 HydrophobicContact CG1-CD1 4.44Å; I890-L914 HydrophobicContact CG2-CD1 3.71Å; T893-L914 HydrophobicContact CG2-CB 3.82Å; S894-L914 WeakPolarHBondContact OG-CD2 3.28Å; L897-L914 HydrophobicContact CD2-CD2 3.9Å; Q910-L914 VanDerWaalsContact O-CB 3.24Å; Q910-L914 WeakPolarHBondContact O-CB 3.41Å; Q910-L914 PolarHBondContact O-N 3.35Å; K912-L914 PolarHBondContact O-N 3.37Å; L914-E916 PolarHBondContact O-N 3.07Å; L914-A917 PolarHBondContact O-N 2.69Å; L914-T918 WeakPolarHBondContact O-CB 3.47Å; L914-T918 PolarHBondContact O-N 2.93Å; L914-T918 PolarHBondContact O-OG1 3.33Å; L914-M952 HydrophobicContact CB-CE 4.21Å; L914-M952 HydrophobicContact CB-SD 4.3Å; L914-M952 HydrophobicContact CD2-CE 4.23Å; L914-M952 HydrophobicContact CD2-SD 3.25Å; L914-M952 WeakPolarHBondContact CD2-SD 3.21Å; L914-M952 HydrophobicContact CG-CE 4.02Å; L914-M952 HydrophobicContact CG-SD 3.6Å; L914-M952 VanDerWaalsContact CG-SD 3.6Å; L914-V979 HydrophobicContact CD1-CG1 4.21Å |
| 915 | A | 84.6 | Confident | 80.4 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 12% | 0.116 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A911 K912 T919 T949 I953 | A911-A915 VanDerWaalsContact O-CB 3.26Å; A911-A915 WeakPolarHBondContact O-CB 3.48Å; A911-A915 PolarHBondContact O-N 2.8Å; K912-A915 PolarHBondContact O-N 3.22Å; K912-A915 VanDerWaalsContact O-N 3.15Å; A915-T919 VanDerWaalsContact O-CB 3.29Å; A915-T919 WeakPolarHBondContact O-CB 3.09Å; A915-T919 PolarHBondContact O-N 3.37Å; A915-T919 PolarHBondContact O-OG1 3.3Å; A915-T949 HydrophobicContact CB-CG2 3.97Å; A915-I953 HydrophobicContact CB-CD1 3.72Å; A915-I953 HydrophobicContact CB-CG1 4.08Å |
| 916 | E | 83.9 | Confident | 80.1 | Confident | 96 Ų | 96 | 50.9 Ų | 50.9 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.5 | -54.7 | 172.8 | -74.7 | 165.7 | -167 | 0 | 0 | 110.8 | K912 L914 T918 T919 H920 | K912-E916 WeakPolarHBondContact O-CG 3.47Å; K912-E916 PolarHBondContact O-N 3Å; L914-E916 PolarHBondContact O-N 3.07Å; E916-T918 VanDerWaalsContact C-N 3.27Å; E916-T918 PolarHBondContact O-N 3.3Å; E916-T919 PolarHBondContact O-N 3.04Å; E916-T919 VanDerWaalsContact O-N 3.13Å; E916-H920 PolarHBondContact O-CD2 2.98Å; E916-H920 PolarHBondContact O-N 2.9Å |
| 917 | A | 80.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.7 | -39.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R889 I890 V913 L914 H920 L921 | R889-A917 HydrophobicContact CG-CB 4.11Å; I890-A917 HydrophobicContact CG1-CB 3.78Å; V913-A917 WeakPolarHBondContact O-CB 3.5Å; V913-A917 PolarHBondContact O-N 3.13Å; L914-A917 PolarHBondContact O-N 2.69Å; A917-H920 PolarHBondContact O-N 3.19Å; A917-L921 PolarHBondContact O-N 2.98Å; A917-L921 VanDerWaalsContact O-N 3.12Å |
| 918 | T | 83.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.2 | -33.5 | 178.4 | -43.4 | 0 | 0 | 0 | 0 | 112.3 | L914 E916 L921 V922 L945 T949 | L914-T918 WeakPolarHBondContact O-CB 3.47Å; L914-T918 PolarHBondContact O-N 2.93Å; L914-T918 PolarHBondContact O-OG1 3.33Å; E916-T918 VanDerWaalsContact C-N 3.27Å; E916-T918 PolarHBondContact O-N 3.3Å; T918-L921 PolarHBondContact O-N 3.08Å; T918-V922 VanDerWaalsContact O-CG2 3.32Å; T918-V922 WeakPolarHBondContact O-CG2 3.24Å; T918-V922 PolarHBondContact O-N 3.2Å; T918-L945 HydrophobicContact CG2-CD1 3.44Å; T918-L945 VanDerWaalsContact CG2-CD1 3.44Å; T918-L945 HydrophobicContact CG2-CD2 3.87Å; T918-L945 HydrophobicContact CG2-CG 3.39Å; T918-T949 WeakPolarHBondContact CB-OG1 3.13Å; T918-T949 HydrophobicContact CG2-CG2 4.48Å; T918-T949 WeakPolarHBondContact CG2-OG1 3.49Å |
| 919 | T | 83 | Confident | 77.6 | Confident | 81 Ų | 81 | 49.9 Ų | 49.9 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.2 | -41.9 | 173.7 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | A915 E916 V922 T923 | A915-T919 VanDerWaalsContact O-CB 3.29Å; A915-T919 WeakPolarHBondContact O-CB 3.09Å; A915-T919 PolarHBondContact O-N 3.37Å; A915-T919 PolarHBondContact O-OG1 3.3Å; E916-T919 PolarHBondContact O-N 3.04Å; E916-T919 VanDerWaalsContact O-N 3.13Å; T919-V922 PolarHBondContact O-N 3.13Å; T919-T923 PolarHBondContact O-N 3.39Å; T919-T923 PolarHBondContact O-OG1 3.01Å |
| 920 | H | 79.7 | Confident | 76.4 | Confident | 94 Ų | 94 | 48.2 Ų | 48.2 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.2 | -52.2 | 172.4 | -78.7 | -69.3 | 0 | 0 | 0 | 110.9 | E916 A917 V922 T923 H924 | E916-H920 PolarHBondContact O-CD2 2.98Å; E916-H920 PolarHBondContact O-N 2.9Å; A917-H920 PolarHBondContact O-N 3.19Å; H920-V922 VanDerWaalsContact C-N 3.32Å; H920-V922 PolarHBondContact O-N 3.48Å; H920-T923 WeakPolarHBondContact CA-OG1 3.5Å; H920-T923 PolarHBondContact O-N 2.91Å; H920-T923 PolarHBondContact O-OG1 2.86Å; H920-H924 PolarHBondContact O-CD2 3.41Å; H920-H924 VanDerWaalsContact O-CD2 3.27Å; H920-H924 PolarHBondContact O-N 3.43Å |
| 921 | L | 77.9 | Confident | 74.8 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 177.8 | -175.5 | 56.2 | 0 | 0 | 0 | 112.3 | I890 A917 T918 T923 H924 I925 L945 T983 | I890-L921 HydrophobicContact CD1-CB 4.16Å; I890-L921 HydrophobicContact CD1-CD2 3.56Å; A917-L921 PolarHBondContact O-N 2.98Å; A917-L921 VanDerWaalsContact O-N 3.12Å; T918-L921 PolarHBondContact O-N 3.08Å; L921-T923 PolarHBondContact O-N 3.36Å; L921-H924 PolarHBondContact O-N 2.95Å; L921-I925 HydrophobicContact CD1-CD1 3.96Å; L921-I925 HydrophobicContact CD1-CG1 4.15Å; L921-I925 HydrophobicContact CG-CD1 3.83Å; L921-I925 HydrophobicContact CG-CG1 4.46Å; L921-I925 VanDerWaalsContact O-CG1 3.25Å; L921-I925 WeakPolarHBondContact O-CG1 3.45Å; L921-I925 PolarHBondContact O-N 3.2Å; L921-L945 HydrophobicContact CB-CD2 4.25Å; L921-L945 HydrophobicContact CD2-CD2 3.71Å; L921-L945 HydrophobicContact CG-CD2 3.83Å; L921-T983 HydrophobicContact CD2-CG2 4.11Å |
| 922 | V | 81 | Confident | 73.3 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 174.3 | 168.3 | 0 | 0 | 0 | 0 | 112.6 | T918 T919 H920 R926 A942 L945 A946 | T918-V922 VanDerWaalsContact O-CG2 3.32Å; T918-V922 WeakPolarHBondContact O-CG2 3.24Å; T918-V922 PolarHBondContact O-N 3.2Å; T919-V922 PolarHBondContact O-N 3.13Å; H920-V922 VanDerWaalsContact C-N 3.32Å; H920-V922 PolarHBondContact O-N 3.48Å; V922-R926 WeakPolarHBondContact O-CB 3.32Å; V922-R926 VanDerWaalsContact O-CG 3.26Å; V922-R926 WeakPolarHBondContact O-CG 3.24Å; V922-R926 PolarHBondContact O-N 3.11Å; V922-R926 VanDerWaalsContact O-N 3.12Å; V922-A942 HydrophobicContact CG1-CB 4.36Å; V922-L945 HydrophobicContact CG2-CB 4.18Å; V922-L945 HydrophobicContact CG2-CD2 3.79Å; V922-L945 HydrophobicContact CG2-CG 3.96Å; V922-A946 HydrophobicContact CG2-CB 4.23Å |
| 923 | T | 81.1 | Confident | 71.5 | Confident | 80 Ų | 80 | 56.4 Ų | 56.4 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.1 | -36.5 | 175.5 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | T919 H920 L921 R926 G927 | T919-T923 PolarHBondContact O-N 3.39Å; T919-T923 PolarHBondContact O-OG1 3.01Å; H920-T923 WeakPolarHBondContact CA-OG1 3.5Å; H920-T923 PolarHBondContact O-N 2.91Å; H920-T923 PolarHBondContact O-OG1 2.86Å; L921-T923 PolarHBondContact O-N 3.36Å; T923-R926 PolarHBondContact O-N 2.94Å; T923-G927 PolarHBondContact O-N 3.45Å |
| 924 | H | 67.5 | Low | 69.8 | Low | 81 Ų | 81 | 59 Ų | 59 | 38% | 0.375 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.3 | -51.6 | 175 | -84.2 | -86.3 | 0 | 0 | 0 | 111.4 | H883 H920 L921 R926 G927 E928 | H883-H924 AromaticContact CD2-ND1 3.95Å; H883-H924 AromaticContact NE2-CG 3.81Å; H883-H924 AromaticContact NE2-ND1 3.23Å; H883-H924 PolarHBondContact NE2-ND1 3.12Å; H920-H924 PolarHBondContact O-CD2 3.41Å; H920-H924 VanDerWaalsContact O-CD2 3.27Å; H920-H924 PolarHBondContact O-N 3.43Å; L921-H924 PolarHBondContact O-N 2.95Å; H924-R926 PolarHBondContact O-N 3.28Å; H924-G927 PolarHBondContact O-N 2.8Å; H924-E928 PolarHBondContact O-N 3.1Å |
| 925 | I | 70.1 | Confident | 68.5 | Low | 14 Ų | 14 | 63.6 Ų | 63.6 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.2 | -34.9 | 176.6 | -64.3 | 165.5 | 0 | 0 | 0 | 111.6 | L921 A929 L938 A942 L945 | L921-I925 HydrophobicContact CD1-CD1 3.96Å; L921-I925 HydrophobicContact CD1-CG1 4.15Å; L921-I925 HydrophobicContact CG-CD1 3.83Å; L921-I925 HydrophobicContact CG-CG1 4.46Å; L921-I925 VanDerWaalsContact O-CG1 3.25Å; L921-I925 WeakPolarHBondContact O-CG1 3.45Å; L921-I925 PolarHBondContact O-N 3.2Å; I925-A929 VanDerWaalsContact O-CB 3.32Å; I925-A929 WeakPolarHBondContact O-CB 3.44Å; I925-A929 PolarHBondContact O-N 3.4Å; I925-L938 HydrophobicContact CG2-CB 3.78Å; I925-L938 HydrophobicContact CG2-CD2 4.15Å; I925-L938 HydrophobicContact CG2-CG 4.47Å; I925-L938 WeakPolarHBondContact CG2-O 3.35Å; I925-A942 HydrophobicContact CB-CB 4.16Å; I925-A942 HydrophobicContact CG2-CB 3.76Å; I925-L945 HydrophobicContact CD1-CD2 4.26Å |
| 926 | R | 71.2 | Confident | 67.3 | Low | 130 Ų | 130 | 71.1 Ų | 71.1 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.3 | -40.5 | 174.5 | -77 | 177.7 | -178 | -168.5 | 3.7 | 113.3 | V922 T923 H924 E928 A929 D930 L939 A942 | V922-R926 WeakPolarHBondContact O-CB 3.32Å; V922-R926 VanDerWaalsContact O-CG 3.26Å; V922-R926 WeakPolarHBondContact O-CG 3.24Å; V922-R926 PolarHBondContact O-N 3.11Å; V922-R926 VanDerWaalsContact O-N 3.12Å; T923-R926 PolarHBondContact O-N 2.94Å; H924-R926 PolarHBondContact O-N 3.28Å; R926-E928 VanDerWaalsContact C-N 3.34Å; R926-A929 PolarHBondContact O-N 3.1Å; R926-D930 PolarHBondContact O-N 3.37Å; R926-L939 HydrophobicContact CG-CD2 4.05Å; R926-A942 HydrophobicContact CG-CB 4.39Å |
| 927 | G | 66.7 | Low | 66 | Low | 42 Ų | 42 | 72.2 Ų | 72.2 | 43% | 0.433 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T923 H924 D930 | T923-G927 PolarHBondContact O-N 3.45Å; H924-G927 PolarHBondContact O-N 2.8Å; G927-D930 PolarHBondContact O-N 2.67Å |
| 928 | E | 56.8 | Low | 65.2 | Low | 44 Ų | 44 | 73.4 Ų | 73.4 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.8 | -35 | 174.6 | -66.7 | -174.1 | 149.2 | 0 | 0 | 112.5 | H883 H924 R926 D930 V931 Q932 L938 | H883-E928 IonicContact CE1-OE1 2.84Å; H883-E928 PolarHBondContact CE1-OE1 3.23Å; H883-E928 IonicContact ND1-OE1 2.86Å; H883-E928 PolarHBondContact ND1-OE1 3.07Å; H924-E928 PolarHBondContact O-N 3.1Å; R926-E928 VanDerWaalsContact C-N 3.34Å; E928-D930 PolarHBondContact O-N 2.84Å; E928-V931 PolarHBondContact O-N 3.29Å; E928-Q932 PolarHBondContact O-N 3.01Å; E928-L938 HydrophobicContact CB-CD1 4.24Å |
| 929 | A | 57.7 | Low | 64.6 | Low | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.008 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -11 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | I925 R926 K935 L938 L939 | I925-A929 VanDerWaalsContact O-CB 3.32Å; I925-A929 WeakPolarHBondContact O-CB 3.44Å; I925-A929 PolarHBondContact O-N 3.4Å; R926-A929 PolarHBondContact O-N 3.1Å; A929-K935 WeakPolarHBondContact O-CD 3.47Å; A929-K935 WeakPolarHBondContact O-CG 3.32Å; A929-L938 HydrophobicContact CB-CB 3.87Å; A929-L938 HydrophobicContact CB-CD1 4.22Å; A929-L939 HydrophobicContact CB-CD2 4.22Å; A929-L939 HydrophobicContact CB-CG 4.15Å |
| 930 | D | 56.9 | Low | 64.2 | Low | 117 Ų | 117 | 75.2 Ų | 75.2 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -12.9 | 169 | -77 | -28.4 | 0 | 0 | 0 | 112.9 | R926 G927 E928 K935 | R926-D930 PolarHBondContact O-N 3.37Å; G927-D930 PolarHBondContact O-N 2.67Å; E928-D930 PolarHBondContact O-N 2.84Å; D930-K935 IonicContact OD1-NZ 3.44Å; D930-K935 PolarHBondContact OD1-NZ 3.01Å |
| 931 | V | 51.2 | Low | 63.6 | Low | 128 Ų | 128 | 71.4 Ų | 71.4 | 78% | 0.776 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -35.2 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | E928 | E928-V931 PolarHBondContact O-N 3.29Š|
| 932 | Q | 50.5 | Low | 63.5 | Low | 57 Ų | 57 | 71 Ų | 71 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -85.1 | 152.5 | -177.5 | -68.2 | -161.2 | -23.4 | 0 | 0 | 114.2 | E928 E934 | E928-Q932 PolarHBondContact O-N 3.01Å; Q932-E934 VanDerWaalsContact C-N 3.29Å; Q932-E934 PolarHBondContact O-N 3.48Å |
| 933 | T | 47.3 | Very low | 63.6 | Low | 144 Ų | 144 | 76.8 Ų | 76.8 | 88% | 0.883 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -68.1 | -22.4 | 173.3 | 42.5 | 0 | 0 | 0 | 0 | 113.9 | K935 | T933-K935 PolarHBondContact O-N 3.45Š|
| 934 | E | 50 | Low | 63.5 | Low | 93 Ų | 93 | 79.1 Ų | 79.1 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | trans | -103.6 | 54.9 | -174.1 | -61.1 | -161.5 | 151.5 | 0 | 0 | 113.7 | Q932 E936 | Q932-E934 VanDerWaalsContact C-N 3.29Å; Q932-E934 PolarHBondContact O-N 3.48Å; E934-E936 PolarHBondContact O-N 3.48Å; E934-E936 VanDerWaalsContact O-N 3.07Å | ||
| 935 | K | 57.8 | Low | 64.3 | Low | 97 Ų | 97 | 75.2 Ų | 75.2 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -51.3 | -32.5 | -175.7 | -176.9 | 156.6 | -174.8 | 152.8 | 0 | 115.6 | A929 D930 T933 L939 | A929-K935 WeakPolarHBondContact O-CD 3.47Å; A929-K935 WeakPolarHBondContact O-CG 3.32Å; D930-K935 IonicContact OD1-NZ 3.44Å; D930-K935 PolarHBondContact OD1-NZ 3.01Å; T933-K935 PolarHBondContact O-N 3.45Å; K935-L939 HydrophobicContact CD-CD1 4.35Å; K935-L939 HydrophobicContact CG-CD1 3.57Å; K935-L939 HydrophobicContact CG-CG 4.2Å; K935-L939 WeakPolarHBondContact O-CB 3.47Å; K935-L939 WeakPolarHBondContact O-CG 3.35Å; K935-L939 PolarHBondContact O-N 3.4Å |
| 936 | E | 58.3 | Low | 65 | Low | 172 Ų | 172 | 75.9 Ų | 75.9 | 80% | 0.804 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -72.5 | -38.3 | -170.4 | -64.3 | -162.4 | 149.2 | 0 | 0 | 114.6 | E934 S940 | E934-E936 PolarHBondContact O-N 3.48Å; E934-E936 VanDerWaalsContact O-N 3.07Å; E936-S940 WeakPolarHBondContact O-CB 3.17Å; E936-S940 PolarHBondContact O-N 2.87Å |
| 937 | H | 57.2 | Low | 65.6 | Low | 119 Ų | 119 | 73.3 Ų | 73.3 | 55% | 0.551 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -73.4 | -45.5 | -175.1 | -169.9 | -90.7 | 0 | 0 | 0 | 112 | L939 S940 A941 | H937-L939 VanDerWaalsContact C-N 3.34Å; H937-L939 PolarHBondContact O-N 2.9Å; H937-S940 WeakPolarHBondContact O-CB 3.36Å; H937-S940 PolarHBondContact O-N 3.3Å; H937-S940 VanDerWaalsContact O-N 3.11Å; H937-A941 PolarHBondContact O-N 3.27Å |
| 938 | L | 64.5 | Low | 66.5 | Low | 26 Ų | 26 | 71.4 Ų | 71.4 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 174.7 | -69.4 | -177.8 | 0 | 0 | 0 | 111.5 | I925 E928 A929 S940 A941 A942 | I925-L938 HydrophobicContact CG2-CB 3.78Å; I925-L938 HydrophobicContact CG2-CD2 4.15Å; I925-L938 HydrophobicContact CG2-CG 4.47Å; I925-L938 WeakPolarHBondContact CG2-O 3.35Å; E928-L938 HydrophobicContact CB-CD1 4.24Å; A929-L938 HydrophobicContact CB-CB 3.87Å; A929-L938 HydrophobicContact CB-CD1 4.22Å; L938-S940 VanDerWaalsContact C-N 3.32Å; L938-S940 PolarHBondContact O-N 2.83Å; L938-A941 PolarHBondContact O-N 3.19Å; L938-A942 VanDerWaalsContact O-CB 3.3Å; L938-A942 WeakPolarHBondContact O-CB 3.33Å; L938-A942 PolarHBondContact O-N 3.47Å |
| 939 | L | 71.1 | Confident | 67.9 | Low | 65 Ų | 65 | 69.6 Ų | 69.6 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.8 | -35.1 | 173.8 | -72.1 | -179.8 | 0 | 0 | 0 | 112.9 | R926 A929 K935 H937 K943 | R926-L939 HydrophobicContact CG-CD2 4.05Å; A929-L939 HydrophobicContact CB-CD2 4.22Å; A929-L939 HydrophobicContact CB-CG 4.15Å; K935-L939 HydrophobicContact CD-CD1 4.35Å; K935-L939 HydrophobicContact CG-CD1 3.57Å; K935-L939 HydrophobicContact CG-CG 4.2Å; K935-L939 WeakPolarHBondContact O-CB 3.47Å; K935-L939 WeakPolarHBondContact O-CG 3.35Å; K935-L939 PolarHBondContact O-N 3.4Å; H937-L939 VanDerWaalsContact C-N 3.34Å; H937-L939 PolarHBondContact O-N 2.9Å; L939-K943 WeakPolarHBondContact O-CB 3.27Å; L939-K943 PolarHBondContact O-N 3.48Å |
| 940 | S | 73.6 | Confident | 69.3 | Low | 54 Ų | 54 | 72.6 Ų | 72.6 | 38% | 0.378 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65 | -47 | 174.6 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | E936 H937 L938 K943 R944 | E936-S940 WeakPolarHBondContact O-CB 3.17Å; E936-S940 PolarHBondContact O-N 2.87Å; H937-S940 WeakPolarHBondContact O-CB 3.36Å; H937-S940 PolarHBondContact O-N 3.3Å; H937-S940 VanDerWaalsContact O-N 3.11Å; L938-S940 VanDerWaalsContact C-N 3.32Å; L938-S940 PolarHBondContact O-N 2.83Å; S940-K943 PolarHBondContact O-N 3.08Å; S940-R944 PolarHBondContact O-N 3.37Å |
| 941 | A | 67.8 | Low | 70.6 | Confident | 14 Ų | 14 | 72.8 Ų | 72.8 | 12% | 0.116 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63 | -48.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H937 L938 K943 R944 L945 A986 | H937-A941 PolarHBondContact O-N 3.27Å; L938-A941 PolarHBondContact O-N 3.19Å; A941-K943 PolarHBondContact O-N 3.02Å; A941-R944 PolarHBondContact O-N 3.1Å; A941-L945 VanDerWaalsContact O-CB 3.29Å; A941-L945 WeakPolarHBondContact O-CB 3.34Å; A941-L945 PolarHBondContact O-N 3.12Å; A941-A986 HydrophobicContact CB-CB 4.18Å |
| 942 | A | 75.7 | Confident | 72.3 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.2 | -35.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V922 I925 R926 L938 A946 | V922-A942 HydrophobicContact CG1-CB 4.36Å; I925-A942 HydrophobicContact CB-CB 4.16Å; I925-A942 HydrophobicContact CG2-CB 3.76Å; R926-A942 HydrophobicContact CG-CB 4.39Å; L938-A942 VanDerWaalsContact O-CB 3.3Å; L938-A942 WeakPolarHBondContact O-CB 3.33Å; L938-A942 PolarHBondContact O-N 3.47Å; A942-A946 WeakPolarHBondContact O-CB 3.22Å; A942-A946 PolarHBondContact O-N 3.4Å |
| 943 | K | 82 | Confident | 74 | Confident | 134 Ų | 134 | 66.4 Ų | 66.4 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.8 | -49.6 | 176.1 | -174.5 | 178.1 | 178 | -176.1 | 0 | 112.1 | L939 S940 A941 L945 A946 D947 | L939-K943 WeakPolarHBondContact O-CB 3.27Å; L939-K943 PolarHBondContact O-N 3.48Å; S940-K943 PolarHBondContact O-N 3.08Å; A941-K943 PolarHBondContact O-N 3.02Å; K943-L945 PolarHBondContact O-N 3.13Å; K943-A946 PolarHBondContact O-N 3.14Å; K943-D947 WeakPolarHBondContact O-CB 3.31Å; K943-D947 VanDerWaalsContact O-CG 3.28Å; K943-D947 PolarHBondContact O-N 3.5Å |
| 944 | R | 80.4 | Confident | 75.7 | Confident | 128 Ų | 128 | 66 Ų | 66 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.3 | -43.3 | 175 | -72.7 | -173.8 | -174.3 | -177 | 7.4 | 111.6 | S940 A941 D947 A948 E985 | S940-R944 PolarHBondContact O-N 3.37Å; A941-R944 PolarHBondContact O-N 3.1Å; R944-D947 PolarHBondContact O-N 3.42Å; R944-A948 WeakPolarHBondContact O-CB 3.43Å; R944-A948 PolarHBondContact O-N 2.92Å; R944-E985 IonicContact CZ-OE1 3.42Å; R944-E985 IonicContact NH1-OE1 2.72Å; R944-E985 PolarHBondContact NH1-OE1 3.35Å; R944-E985 IonicContact NH1-OE2 2.93Å; R944-E985 PolarHBondContact NH1-OE2 2.93Å |
| 945 | L | 83.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.9 | -45.3 | -179.8 | -176 | 62 | 0 | 0 | 0 | 112.3 | T918 L921 V922 I925 A941 K943 A948 T949 A982 T983 | T918-L945 HydrophobicContact CG2-CD1 3.44Å; T918-L945 VanDerWaalsContact CG2-CD1 3.44Å; T918-L945 HydrophobicContact CG2-CD2 3.87Å; T918-L945 HydrophobicContact CG2-CG 3.39Å; L921-L945 HydrophobicContact CB-CD2 4.25Å; L921-L945 HydrophobicContact CD2-CD2 3.71Å; L921-L945 HydrophobicContact CG-CD2 3.83Å; V922-L945 HydrophobicContact CG2-CB 4.18Å; V922-L945 HydrophobicContact CG2-CD2 3.79Å; V922-L945 HydrophobicContact CG2-CG 3.96Å; I925-L945 HydrophobicContact CD1-CD2 4.26Å; A941-L945 VanDerWaalsContact O-CB 3.29Å; A941-L945 WeakPolarHBondContact O-CB 3.34Å; A941-L945 PolarHBondContact O-N 3.12Å; K943-L945 PolarHBondContact O-N 3.13Å; L945-A948 PolarHBondContact O-N 3.46Å; L945-T949 PolarHBondContact O-N 3.35Å; L945-T949 PolarHBondContact O-OG1 3.22Å; L945-A982 HydrophobicContact CD1-CB 4.25Å; L945-T983 WeakPolarHBondContact CD1-OG1 3.28Å |
| 946 | A | 84.4 | Confident | 78.4 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 22% | 0.223 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V922 A942 K943 T949 S950 | V922-A946 HydrophobicContact CG2-CB 4.23Å; A942-A946 WeakPolarHBondContact O-CB 3.22Å; A942-A946 PolarHBondContact O-N 3.4Å; K943-A946 PolarHBondContact O-N 3.14Å; A946-T949 PolarHBondContact O-N 2.93Å; A946-S950 WeakPolarHBondContact O-CB 3.47Å; A946-S950 PolarHBondContact O-N 2.89Å; A946-S950 PolarHBondContact O-OG 3.45Å |
| 947 | D | 85.4 | Confident | 79.6 | Confident | 77 Ų | 77 | 56.4 Ų | 56.4 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 176.4 | -71.4 | -19.6 | 0 | 0 | 0 | 111 | K943 R944 S950 R951 | K943-D947 WeakPolarHBondContact O-CB 3.31Å; K943-D947 VanDerWaalsContact O-CG 3.28Å; K943-D947 PolarHBondContact O-N 3.5Å; R944-D947 PolarHBondContact O-N 3.42Å; D947-S950 PolarHBondContact O-N 3Å; D947-R951 PolarHBondContact O-N 3.37Å; D947-R951 VanDerWaalsContact O-N 3.13Å |
| 948 | A | 85.7 | Confident | 80.7 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R944 L945 S950 R951 M952 D978 V979 A982 | R944-A948 WeakPolarHBondContact O-CB 3.43Å; R944-A948 PolarHBondContact O-N 2.92Å; L945-A948 PolarHBondContact O-N 3.46Å; A948-S950 VanDerWaalsContact C-N 3.27Å; A948-S950 PolarHBondContact O-N 2.9Å; A948-R951 PolarHBondContact O-N 3.1Å; A948-M952 PolarHBondContact O-N 2.96Å; A948-D978 HydrophobicContact CB-CB 4.4Å; A948-V979 VanDerWaalsContact C-CG2 3.48Å; A948-V979 HydrophobicContact CB-CG2 3.83Å; A948-V979 WeakPolarHBondContact O-CG2 3.49Å; A948-A982 HydrophobicContact CB-CB 4.29Å |
| 949 | T | 86.3 | Confident | 81.3 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.043 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.4 | -41 | 176.7 | -49.9 | 0 | 0 | 0 | 0 | 111.3 | A915 T918 L945 A946 M952 I953 | A915-T949 HydrophobicContact CB-CG2 3.97Å; T918-T949 WeakPolarHBondContact CB-OG1 3.13Å; T918-T949 HydrophobicContact CG2-CG2 4.48Å; T918-T949 WeakPolarHBondContact CG2-OG1 3.49Å; L945-T949 PolarHBondContact O-N 3.35Å; L945-T949 PolarHBondContact O-OG1 3.22Å; A946-T949 PolarHBondContact O-N 2.93Å; T949-M952 HydrophobicContact CG2-CE 4.35Å; T949-M952 PolarHBondContact O-N 3.25Å; T949-I953 HydrophobicContact CG2-CD1 4.09Å; T949-I953 VanDerWaalsContact O-CG1 3.31Å; T949-I953 WeakPolarHBondContact O-CG1 3.26Å; T949-I953 PolarHBondContact O-N 3.26Å |
| 950 | S | 85.7 | Confident | 81.4 | Confident | 63 Ų | 63 | 49 Ų | 49 | 44% | 0.441 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 179 | -60 | 0 | 0 | 0 | 0 | 111.4 | A946 D947 A948 M952 I953 E954 | A946-S950 WeakPolarHBondContact O-CB 3.47Å; A946-S950 PolarHBondContact O-N 2.89Å; A946-S950 PolarHBondContact O-OG 3.45Å; D947-S950 PolarHBondContact O-N 3Å; A948-S950 VanDerWaalsContact C-N 3.27Å; A948-S950 PolarHBondContact O-N 2.9Å; S950-M952 VanDerWaalsContact C-N 3.3Å; S950-M952 PolarHBondContact O-N 3.48Å; S950-I953 PolarHBondContact O-N 3.36Å; S950-E954 PolarHBondContact O-N 3.1Å; S950-E954 VanDerWaalsContact O-N 3.09Å |
| 951 | R | 84.7 | Confident | 81.5 | Confident | 121 Ų | 121 | 49.3 Ų | 49.3 | 46% | 0.457 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.4 | -42.1 | 173.9 | -67.7 | -163.2 | -66 | -90.7 | 11.4 | 112.2 | D947 A948 E954 A955 D978 | D947-R951 PolarHBondContact O-N 3.37Å; D947-R951 VanDerWaalsContact O-N 3.13Å; A948-R951 PolarHBondContact O-N 3.1Å; R951-E954 PolarHBondContact O-N 3.22Å; R951-A955 WeakPolarHBondContact O-CB 3.32Å; R951-A955 PolarHBondContact O-N 3.43Å; R951-D978 IonicContact CZ-OD2 2.75Å; R951-D978 IonicContact NE-OD2 2.86Å; R951-D978 PolarHBondContact NE-OD2 3.01Å; R951-D978 VanDerWaalsContact NE-OD2 3.13Å; R951-D978 IonicContact NH2-OD2 3.91Å; R951-D978 PolarHBondContact NH2-OD2 2.94Å |
| 952 | M | 87.7 | Confident | 82 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 178.4 | -178.3 | -148.1 | 68.4 | 0 | 0 | 112.6 | L897 A911 L914 A948 T949 S950 E954 A955 A956 A975 V979 | L897-M952 HydrophobicContact CD2-CG 4Å; L897-M952 HydrophobicContact CD2-SD 3.8Å; A911-M952 HydrophobicContact CB-CE 4.4Å; L914-M952 HydrophobicContact CB-CE 4.21Å; L914-M952 HydrophobicContact CB-SD 4.3Å; L914-M952 HydrophobicContact CD2-CE 4.23Å; L914-M952 HydrophobicContact CD2-SD 3.25Å; L914-M952 WeakPolarHBondContact CD2-SD 3.21Å; L914-M952 HydrophobicContact CG-CE 4.02Å; L914-M952 HydrophobicContact CG-SD 3.6Å; L914-M952 VanDerWaalsContact CG-SD 3.6Å; A948-M952 PolarHBondContact O-N 2.96Å; T949-M952 HydrophobicContact CG2-CE 4.35Å; T949-M952 PolarHBondContact O-N 3.25Å; S950-M952 VanDerWaalsContact C-N 3.3Å; S950-M952 PolarHBondContact O-N 3.48Å; M952-E954 VanDerWaalsContact C-N 3.33Å; M952-E954 PolarHBondContact O-N 3.46Å; M952-A955 PolarHBondContact O-N 2.82Å; M952-A956 VanDerWaalsContact O-CB 3.29Å; M952-A956 WeakPolarHBondContact O-CB 3.23Å; M952-A956 PolarHBondContact O-N 3.29Å; M952-A975 HydrophobicContact CB-CB 4.06Å; M952-V979 HydrophobicContact CB-CG2 3.91Å; M952-V979 HydrophobicContact CG-CG2 4.4Å; M952-V979 HydrophobicContact SD-CG2 4.1Å |
| 953 | I | 84.9 | Confident | 81.4 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 175.9 | -67.8 | 163.6 | 0 | 0 | 0 | 111 | A915 T949 S950 K957 | A915-I953 HydrophobicContact CB-CD1 3.72Å; A915-I953 HydrophobicContact CB-CG1 4.08Å; T949-I953 HydrophobicContact CG2-CD1 4.09Å; T949-I953 VanDerWaalsContact O-CG1 3.31Å; T949-I953 WeakPolarHBondContact O-CG1 3.26Å; T949-I953 PolarHBondContact O-N 3.26Å; S950-I953 PolarHBondContact O-N 3.36Å; I953-K957 HydrophobicContact CG2-CD 4.13Å; I953-K957 VanDerWaalsContact O-CG 3.29Å; I953-K957 WeakPolarHBondContact O-CG 3.22Å; I953-K957 PolarHBondContact O-N 3.01Å |
| 954 | E | 84.2 | Confident | 80.9 | Confident | 135 Ų | 135 | 54.9 Ų | 54.9 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.9 | -46.8 | 176.3 | -70.8 | -178.3 | 169.9 | 0 | 0 | 111.8 | S950 R951 M952 A956 K957 A958 | S950-E954 PolarHBondContact O-N 3.1Å; S950-E954 VanDerWaalsContact O-N 3.09Å; R951-E954 PolarHBondContact O-N 3.22Å; M952-E954 VanDerWaalsContact C-N 3.33Å; M952-E954 PolarHBondContact O-N 3.46Å; E954-A956 VanDerWaalsContact C-N 3.35Å; E954-A956 PolarHBondContact O-N 2.86Å; E954-K957 PolarHBondContact O-N 3.35Å; E954-A958 PolarHBondContact O-N 3.18Å |
| 955 | A | 83.5 | Confident | 80.7 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 12% | 0.116 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R951 M952 A958 C959 L972 A975 | R951-A955 WeakPolarHBondContact O-CB 3.32Å; R951-A955 PolarHBondContact O-N 3.43Å; M952-A955 PolarHBondContact O-N 2.82Å; A955-A958 PolarHBondContact O-N 3.5Å; A955-C959 VanDerWaalsContact O-CB 3.29Å; A955-C959 WeakPolarHBondContact O-CB 3.43Å; A955-C959 PolarHBondContact O-N 3.42Å; A955-L972 HydrophobicContact CB-CB 4.26Å; A955-L972 HydrophobicContact CB-CD1 4.38Å; A955-A975 HydrophobicContact CB-CB 4.1Å |
| 956 | A | 81.1 | Confident | 80.4 | Confident | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A911 M952 E954 A960 L972 | A911-A956 HydrophobicContact CB-CB 3.62Å; M952-A956 VanDerWaalsContact O-CB 3.29Å; M952-A956 WeakPolarHBondContact O-CB 3.23Å; M952-A956 PolarHBondContact O-N 3.29Å; E954-A956 VanDerWaalsContact C-N 3.35Å; E954-A956 PolarHBondContact O-N 2.86Å; A956-A960 WeakPolarHBondContact O-CB 3.35Å; A956-A960 PolarHBondContact O-N 3.13Å; A956-L972 HydrophobicContact CB-CD1 3.82Å |
| 957 | K | 82.2 | Confident | 80.2 | Confident | 143 Ų | 143 | 58.6 Ų | 58.6 | 62% | 0.622 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 173.5 | -74.6 | 169.1 | -178.5 | 171.1 | 0 | 111.9 | I953 E954 G961 | I953-K957 HydrophobicContact CG2-CD 4.13Å; I953-K957 VanDerWaalsContact O-CG 3.29Å; I953-K957 WeakPolarHBondContact O-CG 3.22Å; I953-K957 PolarHBondContact O-N 3.01Å; E954-K957 PolarHBondContact O-N 3.35Å; K957-G961 PolarHBondContact O-N 3.46Å; K957-G961 VanDerWaalsContact O-N 3.08Å |
| 958 | A | 80.4 | Confident | 79.9 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 31% | 0.306 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E954 A955 G961 V962 | E954-A958 PolarHBondContact O-N 3.18Å; A955-A958 PolarHBondContact O-N 3.5Å; A958-G961 PolarHBondContact O-N 2.67Å; A958-V962 PolarHBondContact O-N 3.19Å |
| 959 | C | 77.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.6 | -34 | 178.6 | -163.2 | 0 | 0 | 0 | 0 | 112.6 | M907 A955 G961 V962 P963 H968 L972 | M907-C959 HydrophobicContact CE-CB 4.24Å; M907-C959 HydrophobicContact SD-CB 3.64Å; A955-C959 VanDerWaalsContact O-CB 3.29Å; A955-C959 WeakPolarHBondContact O-CB 3.43Å; A955-C959 PolarHBondContact O-N 3.42Å; C959-G961 VanDerWaalsContact C-N 3.33Å; C959-V962 CarbonylContact O-C 3.59Å; C959-V962 PolarHBondContact O-N 3.04Å; C959-P963 VanDerWaalsContact O-CA 3.23Å; C959-P963 WeakPolarHBondContact O-CA 3.26Å; C959-P963 VanDerWaalsContact O-N 3.14Å; C959-H968 HydrophobicContact CB-CB 3.88Å; C959-L972 HydrophobicContact CB-CB 4.38Å; C959-L972 HydrophobicContact CB-CD2 4.11Å |
| 960 | A | 73.3 | Confident | 79.4 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.1 | -27.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A904 M907 I908 A956 | A904-A960 HydrophobicContact CB-CB 4.06Å; M907-A960 HydrophobicContact SD-CB 4.21Å; I908-A960 HydrophobicContact CD1-CB 3.58Å; I908-A960 HydrophobicContact CG1-CB 3.63Å; A956-A960 WeakPolarHBondContact O-CB 3.35Å; A956-A960 PolarHBondContact O-N 3.13Å |
| 961 | G | 76.6 | Confident | 79.2 | Confident | 62 Ų | 62 | 63.7 Ų | 63.7 | 64% | 0.639 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -73.6 | -31.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K957 A958 C959 | K957-G961 PolarHBondContact O-N 3.46Å; K957-G961 VanDerWaalsContact O-N 3.08Å; A958-G961 PolarHBondContact O-N 2.67Å; C959-G961 VanDerWaalsContact C-N 3.33Å |
| 962 | V | 76.7 | Confident | 79.2 | Confident | 75 Ų | 75 | 58 Ų | 58 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -139.1 | 81.7 | 175.7 | -167.1 | 0 | 0 | 0 | 0 | 110.1 | A958 C959 D964 N965 | A958-V962 PolarHBondContact O-N 3.19Å; C959-V962 CarbonylContact O-C 3.59Å; C959-V962 PolarHBondContact O-N 3.04Å; V962-D964 PolarHBondContact O-N 3.12Å; V962-N965 HydrophobicContact CB-CB 4.15Å; V962-N965 HydrophobicContact CG1-CB 3.81Å; V962-N965 PolarHBondContact O-N 2.82Å; V962-N965 VanDerWaalsContact O-N 3.13Å |
| 963 | P | 63.5 | Low | 78.9 | Confident | 43 Ų | 43 | 63 Ų | 63 | 28% | 0.279 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -31.8 | -173.7 | -27 | 36.6 | 0 | 0 | 0 | 114.3 | A904 C959 N965 Q969 | A904-P963 HydrophobicContact CB-CG 4.25Å; C959-P963 VanDerWaalsContact O-CA 3.23Å; C959-P963 WeakPolarHBondContact O-CA 3.26Å; C959-P963 VanDerWaalsContact O-N 3.14Å; P963-N965 VanDerWaalsContact C-N 3.3Å; P963-N965 PolarHBondContact O-N 3.01Å; P963-Q969 PolarHBondContact O-NE2 3.12Å |
| 964 | D | 70.8 | Confident | 78.9 | Confident | 148 Ų | 148 | 62.7 Ų | 62.7 | 79% | 0.791 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -4.6 | -177.2 | -56.1 | -43.7 | 0 | 0 | 0 | 113.7 | V962 V966 | V962-D964 PolarHBondContact O-N 3.12Å; D964-V966 PolarHBondContact O-N 2.94Å |
| 965 | N | 77.7 | Confident | 78.9 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | trans | -83.1 | 102.4 | -178.6 | -172.3 | -7.2 | 0 | 0 | 0 | 111.3 | V962 P963 S967 H968 Q969 | V962-N965 HydrophobicContact CB-CB 4.15Å; V962-N965 HydrophobicContact CG1-CB 3.81Å; V962-N965 PolarHBondContact O-N 2.82Å; V962-N965 VanDerWaalsContact O-N 3.13Å; P963-N965 VanDerWaalsContact C-N 3.3Å; P963-N965 PolarHBondContact O-N 3.01Å; N965-S967 PolarHBondContact O-N 2.92Å; N965-S967 VanDerWaalsContact O-N 3.09Å; N965-S967 VanDerWaalsContact OD1-CB 3.3Å; N965-S967 WeakPolarHBondContact OD1-CB 3.48Å; N965-S967 PolarHBondContact OD1-N 3.45Å; N965-H968 HydrophobicContact CB-CB 4.36Å; N965-H968 PolarHBondContact ND2-CD2 3.18Å; N965-H968 PolarHBondContact ND2-NE2 3.33Å; N965-H968 PolarHBondContact O-N 3.01Å; N965-Q969 PolarHBondContact O-N 3.29Å | ||
| 966 | V | 76.6 | Confident | 78.8 | Confident | 97 Ų | 97 | 55.9 Ų | 55.9 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -49 | -36.1 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | D964 H968 Q969 V970 | D964-V966 PolarHBondContact O-N 2.94Å; V966-H968 VanDerWaalsContact C-N 3.34Å; V966-H968 PolarHBondContact O-N 3.42Å; V966-Q969 PolarHBondContact O-N 2.95Å; V966-V970 HydrophobicContact CG1-CG2 4.21Å; V966-V970 WeakPolarHBondContact O-CB 3.49Å; V966-V970 VanDerWaalsContact O-CG2 3.28Å; V966-V970 WeakPolarHBondContact O-CG2 3.4Å; V966-V970 PolarHBondContact O-N 2.72Å |
| 967 | S | 79.9 | Confident | 78.9 | Confident | 81 Ų | 81 | 60.1 Ų | 60.1 | 57% | 0.566 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.8 | -32.7 | 177.9 | -170.8 | 0 | 0 | 0 | 0 | 113 | N965 A971 | N965-S967 PolarHBondContact O-N 2.92Å; N965-S967 VanDerWaalsContact O-N 3.09Å; N965-S967 VanDerWaalsContact OD1-CB 3.3Å; N965-S967 WeakPolarHBondContact OD1-CB 3.48Å; N965-S967 PolarHBondContact OD1-N 3.45Å; S967-A971 VanDerWaalsContact O-CB 3.31Å; S967-A971 WeakPolarHBondContact O-CB 3.45Å; S967-A971 PolarHBondContact O-N 3.41Å; S967-A971 VanDerWaalsContact O-N 3.13Å |
| 968 | H | 79.7 | Confident | 78.9 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 26% | 0.264 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -81.1 | -34.1 | 175.4 | -64.4 | -37.7 | 0 | 0 | 0 | 111.7 | C959 N965 V966 A971 L972 | C959-H968 HydrophobicContact CB-CB 3.88Å; N965-H968 HydrophobicContact CB-CB 4.36Å; N965-H968 PolarHBondContact ND2-CD2 3.18Å; N965-H968 PolarHBondContact ND2-NE2 3.33Å; N965-H968 PolarHBondContact O-N 3.01Å; V966-H968 VanDerWaalsContact C-N 3.34Å; V966-H968 PolarHBondContact O-N 3.42Å; H968-A971 PolarHBondContact O-N 3.11Å; H968-L972 VanDerWaalsContact O-CB 3.31Å; H968-L972 WeakPolarHBondContact O-CB 3.49Å; H968-L972 PolarHBondContact O-N 3.49Å |
| 969 | Q | 78 | Confident | 79.1 | Confident | 61 Ų | 61 | 54.7 Ų | 54.7 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 171.7 | -66.4 | -177.8 | -1.9 | 0 | 0 | 111.8 | P963 N965 V966 L972 K973 | P963-Q969 PolarHBondContact O-NE2 3.12Å; N965-Q969 PolarHBondContact O-N 3.29Å; V966-Q969 PolarHBondContact O-N 2.95Å; Q969-L972 PolarHBondContact O-N 3.42Å; Q969-K973 WeakPolarHBondContact O-CB 3.5Å; Q969-K973 PolarHBondContact O-N 3.34Å |
| 970 | V | 82.7 | Confident | 79.2 | Confident | 92 Ų | 92 | 59.7 Ų | 59.7 | 56% | 0.558 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.8 | -42.7 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | V966 L972 K973 A974 | V966-V970 HydrophobicContact CG1-CG2 4.21Å; V966-V970 WeakPolarHBondContact O-CB 3.49Å; V966-V970 VanDerWaalsContact O-CG2 3.28Å; V966-V970 WeakPolarHBondContact O-CG2 3.4Å; V966-V970 PolarHBondContact O-N 2.72Å; V970-L972 PolarHBondContact O-N 3.11Å; V970-K973 PolarHBondContact O-N 3.28Å; V970-A974 WeakPolarHBondContact O-CB 3.48Å; V970-A974 PolarHBondContact O-N 3.3Å |
| 971 | A | 82.5 | Confident | 79.4 | Confident | 44 Ų | 44 | 61.6 Ų | 61.6 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S967 H968 A975 | S967-A971 VanDerWaalsContact O-CB 3.31Å; S967-A971 WeakPolarHBondContact O-CB 3.45Å; S967-A971 PolarHBondContact O-N 3.41Å; S967-A971 VanDerWaalsContact O-N 3.13Å; H968-A971 PolarHBondContact O-N 3.11Å; A971-A975 VanDerWaalsContact O-CB 3.26Å; A971-A975 WeakPolarHBondContact O-CB 3.22Å; A971-A975 PolarHBondContact O-N 3.34Å |
| 972 | L | 83.2 | Confident | 79.4 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 174.5 | 175.5 | 59.5 | 0 | 0 | 0 | 111.6 | L897 M907 A955 A956 C959 H968 Q969 V970 A975 A976 | L897-L972 HydrophobicContact CD1-CD1 4.36Å; L897-L972 HydrophobicContact CD1-CD2 4.4Å; L897-L972 HydrophobicContact CD2-CD1 4.01Å; L897-L972 HydrophobicContact CG-CD1 4.22Å; M907-L972 HydrophobicContact CE-CD2 4.13Å; M907-L972 HydrophobicContact CG-CD2 3.73Å; M907-L972 HydrophobicContact SD-CD2 3.56Å; M907-L972 VanDerWaalsContact SD-CD2 3.56Å; A955-L972 HydrophobicContact CB-CB 4.26Å; A955-L972 HydrophobicContact CB-CD1 4.38Å; A956-L972 HydrophobicContact CB-CD1 3.82Å; C959-L972 HydrophobicContact CB-CB 4.38Å; C959-L972 HydrophobicContact CB-CD2 4.11Å; H968-L972 VanDerWaalsContact O-CB 3.31Å; H968-L972 WeakPolarHBondContact O-CB 3.49Å; H968-L972 PolarHBondContact O-N 3.49Å; Q969-L972 PolarHBondContact O-N 3.42Å; V970-L972 PolarHBondContact O-N 3.11Å; L972-A975 PolarHBondContact O-N 2.99Å; L972-A976 WeakPolarHBondContact O-CB 3.3Å; L972-A976 PolarHBondContact O-N 2.98Å |
| 973 | K | 82 | Confident | 79.3 | Confident | 104 Ų | 104 | 55.7 Ų | 55.7 | 45% | 0.452 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 177 | -175.9 | 178.4 | 169.6 | -178.7 | 0 | 111.1 | Q969 V970 A975 A976 E977 | Q969-K973 WeakPolarHBondContact O-CB 3.5Å; Q969-K973 PolarHBondContact O-N 3.34Å; V970-K973 PolarHBondContact O-N 3.28Å; K973-A975 VanDerWaalsContact C-N 3.34Å; K973-A975 PolarHBondContact O-N 3.19Å; K973-A976 PolarHBondContact O-N 3.33Å; K973-E977 WeakPolarHBondContact CE-OE1 3.34Å; K973-E977 IonicContact NZ-OE1 2.81Å; K973-E977 WeakPolarHBondContact O-CB 3.42Å; K973-E977 WeakPolarHBondContact O-CG 3.46Å; K973-E977 PolarHBondContact O-N 3.18Å |
| 974 | A | 84.3 | Confident | 79.4 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V970 E977 D978 | V970-A974 WeakPolarHBondContact O-CB 3.48Å; V970-A974 PolarHBondContact O-N 3.3Å; A974-E977 PolarHBondContact O-N 2.74Å; A974-D978 PolarHBondContact O-N 3.16Å |
| 975 | A | 84.5 | Confident | 79.2 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.1 | -29.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | M952 A955 A971 L972 K973 D978 V979 | M952-A975 HydrophobicContact CB-CB 4.06Å; A955-A975 HydrophobicContact CB-CB 4.1Å; A971-A975 VanDerWaalsContact O-CB 3.26Å; A971-A975 WeakPolarHBondContact O-CB 3.22Å; A971-A975 PolarHBondContact O-N 3.34Å; L972-A975 PolarHBondContact O-N 2.99Å; K973-A975 VanDerWaalsContact C-N 3.34Å; K973-A975 PolarHBondContact O-N 3.19Å; A975-D978 WeakPolarHBondContact O-CB 3.49Å; A975-V979 WeakPolarHBondContact O-CG2 3.35Å; A975-V979 PolarHBondContact O-N 2.93Å; A975-V979 VanDerWaalsContact O-N 3.16Å |
| 976 | A | 82.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -73.3 | -36.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | L897 I898 L972 K973 V979 R980 | L897-A976 HydrophobicContact CD2-CB 4.32Å; I898-A976 HydrophobicContact CD1-CB 4.24Å; I898-A976 HydrophobicContact CG1-CB 4.08Å; L972-A976 WeakPolarHBondContact O-CB 3.3Å; L972-A976 PolarHBondContact O-N 2.98Å; K973-A976 PolarHBondContact O-N 3.33Å; A976-V979 PolarHBondContact O-N 3.2Å; A976-R980 WeakPolarHBondContact O-CB 3.39Å; A976-R980 PolarHBondContact O-N 3.38Å |
| 977 | E | 82.1 | Confident | 77.6 | Confident | 92 Ų | 92 | 48.4 Ų | 48.4 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 171.4 | -73.6 | 170.9 | 173.4 | 0 | 0 | 111.5 | K973 A974 R980 A981 | K973-E977 WeakPolarHBondContact CE-OE1 3.34Å; K973-E977 IonicContact NZ-OE1 2.81Å; K973-E977 WeakPolarHBondContact O-CB 3.42Å; K973-E977 WeakPolarHBondContact O-CG 3.46Å; K973-E977 PolarHBondContact O-N 3.18Å; A974-E977 PolarHBondContact O-N 2.74Å; E977-R980 PolarHBondContact O-N 3.4Å; E977-A981 WeakPolarHBondContact O-CB 3.31Å; E977-A981 PolarHBondContact O-N 3.21Å |
| 978 | D | 83.3 | Confident | 76.5 | Confident | 65 Ų | 65 | 47.8 Ų | 47.8 | 35% | 0.348 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.2 | -47.6 | 170.3 | -93.9 | 8 | 0 | 0 | 0 | 112.1 | A948 R951 A974 A975 R980 A981 A982 | A948-D978 HydrophobicContact CB-CB 4.4Å; R951-D978 IonicContact CZ-OD2 2.75Å; R951-D978 IonicContact NE-OD2 2.86Å; R951-D978 PolarHBondContact NE-OD2 3.01Å; R951-D978 VanDerWaalsContact NE-OD2 3.13Å; R951-D978 IonicContact NH2-OD2 3.91Å; R951-D978 PolarHBondContact NH2-OD2 2.94Å; A974-D978 PolarHBondContact O-N 3.16Å; A975-D978 WeakPolarHBondContact O-CB 3.49Å; D978-R980 VanDerWaalsContact C-N 3.35Å; D978-A981 PolarHBondContact O-N 2.81Å; D978-A982 VanDerWaalsContact O-CB 3.29Å; D978-A982 WeakPolarHBondContact O-CB 3.36Å; D978-A982 PolarHBondContact O-N 3.43Å |
| 979 | V | 83.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 177.5 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | I890 L914 A948 M952 A975 A976 T983 | I890-V979 HydrophobicContact CG2-CG1 4.18Å; L914-V979 HydrophobicContact CD1-CG1 4.21Å; A948-V979 VanDerWaalsContact C-CG2 3.48Å; A948-V979 HydrophobicContact CB-CG2 3.83Å; A948-V979 WeakPolarHBondContact O-CG2 3.49Å; M952-V979 HydrophobicContact CB-CG2 3.91Å; M952-V979 HydrophobicContact CG-CG2 4.4Å; M952-V979 HydrophobicContact SD-CG2 4.1Å; A975-V979 WeakPolarHBondContact O-CG2 3.35Å; A975-V979 PolarHBondContact O-N 2.93Å; A975-V979 VanDerWaalsContact O-N 3.16Å; A976-V979 PolarHBondContact O-N 3.2Å; V979-T983 VanDerWaalsContact O-CB 3.31Å; V979-T983 WeakPolarHBondContact O-CB 3.35Å; V979-T983 PolarHBondContact O-N 3.12Å; V979-T983 PolarHBondContact O-OG1 2.84Å |
| 980 | R | 78.9 | Confident | 74.5 | Confident | 105 Ų | 105 | 48.2 Ų | 48.2 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 175.9 | -178.6 | 179.4 | 179.1 | 147.3 | 3.2 | 111.7 | D895 A976 E977 D978 T983 S984 | D895-R980 IonicContact OD1-CZ 2.62Å; D895-R980 IonicContact OD1-NH1 3.75Å; D895-R980 PolarHBondContact OD1-NH1 2.97Å; D895-R980 IonicContact OD2-NH1 2.72Å; A976-R980 WeakPolarHBondContact O-CB 3.39Å; A976-R980 PolarHBondContact O-N 3.38Å; E977-R980 PolarHBondContact O-N 3.4Å; D978-R980 VanDerWaalsContact C-N 3.35Å; R980-T983 PolarHBondContact O-N 3.09Å; R980-S984 WeakPolarHBondContact O-CB 3.34Å; R980-S984 PolarHBondContact O-N 3.2Å |
| 981 | A | 77.3 | Confident | 73.3 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 47% | 0.471 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E977 D978 T983 S984 E985 | E977-A981 WeakPolarHBondContact O-CB 3.31Å; E977-A981 PolarHBondContact O-N 3.21Å; D978-A981 PolarHBondContact O-N 2.81Å; A981-T983 VanDerWaalsContact C-N 3.29Å; A981-T983 PolarHBondContact O-N 3.03Å; A981-S984 PolarHBondContact O-N 3.16Å; A981-E985 WeakPolarHBondContact O-CB 2.93Å; A981-E985 PolarHBondContact O-N 3.11Å |
| 982 | A | 77.7 | Confident | 72.4 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L945 A948 D978 A986 | L945-A982 HydrophobicContact CD1-CB 4.25Å; A948-A982 HydrophobicContact CB-CB 4.29Å; D978-A982 VanDerWaalsContact O-CB 3.29Å; D978-A982 WeakPolarHBondContact O-CB 3.36Å; D978-A982 PolarHBondContact O-N 3.43Å; A982-A986 WeakPolarHBondContact O-CB 3.48Å; A982-A986 PolarHBondContact O-N 2.79Å |
| 983 | T | 73.6 | Confident | 71.6 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.8 | -38.9 | 176.3 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | L887 I890 L921 L945 V979 R980 A981 A986 A987 | L887-T983 HydrophobicContact CD1-CG2 3.74Å; L887-T983 HydrophobicContact CG-CG2 4.12Å; I890-T983 HydrophobicContact CB-CG2 4.21Å; I890-T983 HydrophobicContact CD1-CG2 3.96Å; I890-T983 HydrophobicContact CG2-CG2 3.87Å; L921-T983 HydrophobicContact CD2-CG2 4.11Å; L945-T983 WeakPolarHBondContact CD1-OG1 3.28Å; V979-T983 VanDerWaalsContact O-CB 3.31Å; V979-T983 WeakPolarHBondContact O-CB 3.35Å; V979-T983 PolarHBondContact O-N 3.12Å; V979-T983 PolarHBondContact O-OG1 2.84Å; R980-T983 PolarHBondContact O-N 3.09Å; A981-T983 VanDerWaalsContact C-N 3.29Å; A981-T983 PolarHBondContact O-N 3.03Å; T983-A986 PolarHBondContact O-N 3.02Å; T983-A987 PolarHBondContact O-N 3.08Å |
| 984 | S | 67.1 | Low | 70.7 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -71.3 | -38 | 178.5 | -171.2 | 0 | 0 | 0 | 0 | 112.3 | R980 A981 E988 V989 | R980-S984 WeakPolarHBondContact O-CB 3.34Å; R980-S984 PolarHBondContact O-N 3.2Å; A981-S984 PolarHBondContact O-N 3.16Å; S984-E988 PolarHBondContact O-N 3.19Å; S984-V989 PolarHBondContact O-N 2.86Å |
| 985 | E | 65.8 | Low | 69.8 | Low | 107 Ų | 107 | 46.6 Ų | 46.6 | 50% | 0.5 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -67.1 | -40.5 | 172.1 | -169.8 | -171.8 | -169.4 | 0 | 0 | 111.5 | R944 A981 A987 | R944-E985 IonicContact CZ-OE1 3.42Å; R944-E985 IonicContact NH1-OE1 2.72Å; R944-E985 PolarHBondContact NH1-OE1 3.35Å; R944-E985 IonicContact NH1-OE2 2.93Å; R944-E985 PolarHBondContact NH1-OE2 2.93Å; A981-E985 WeakPolarHBondContact O-CB 2.93Å; A981-E985 PolarHBondContact O-N 3.11Å; E985-A987 VanDerWaalsContact C-N 3.33Å; E985-A987 PolarHBondContact O-N 3.43Å |
| 986 | A | 61.6 | Low | 69.3 | Low | 29 Ų | 29 | 46.6 Ų | 46.6 | 24% | 0.24 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -72.8 | -17.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A941 A982 T983 | A941-A986 HydrophobicContact CB-CB 4.18Å; A982-A986 WeakPolarHBondContact O-CB 3.48Å; A982-A986 PolarHBondContact O-N 2.79Å; T983-A986 PolarHBondContact O-N 3.02Å |
| 987 | A | 60.3 | Low | 68.9 | Low | 14 Ų | 14 | 48.3 Ų | 48.3 | 12% | 0.116 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -141.2 | -69.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L887 T983 E985 V989 Q990 L991 | L887-A987 HydrophobicContact CD1-CB 3.46Å; L887-A987 VanDerWaalsContact CD1-CB 3.46Å; T983-A987 PolarHBondContact O-N 3.08Å; E985-A987 VanDerWaalsContact C-N 3.33Å; E985-A987 PolarHBondContact O-N 3.43Å; A987-V989 PolarHBondContact O-N 3.25Å; A987-Q990 PolarHBondContact O-N 2.93Å; A987-L991 HydrophobicContact CB-CD1 4.49Å; A987-L991 VanDerWaalsContact O-CB 3.26Å; A987-L991 WeakPolarHBondContact O-CB 3.45Å; A987-L991 WeakPolarHBondContact O-CG 3.44Å; A987-L991 PolarHBondContact O-N 3.48Å |
| 988 | E | 56.4 | Low | 68.2 | Low | 68 Ų | 68 | 46.3 Ų | 46.3 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -66.4 | -44 | -162.5 | -159.2 | -172 | 168.7 | 0 | 0 | 114.5 | L887 S984 R992 | L887-E988 HydrophobicContact CD1-CB 4.5Å; L887-E988 HydrophobicContact CD2-CB 4.06Å; L887-E988 HydrophobicContact CD2-CG 4.31Å; S984-E988 PolarHBondContact O-N 3.19Å; E988-R992 VanDerWaalsContact CD-NH2 3.3Å; E988-R992 PolarHBondContact O-N 2.91Å; E988-R992 IonicContact OE1-CZ 2.66Å; E988-R992 IonicContact OE1-NE 4Å; E988-R992 IonicContact OE1-NH2 3.96Å; E988-R992 PolarHBondContact OE1-NH2 2.89Å |
| 989 | V | 56.8 | Low | 68.1 | Low | 67 Ų | 67 | 43.3 Ų | 43.3 | 41% | 0.406 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -72.3 | -39.2 | 178.4 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | S984 A987 R993 | S984-V989 PolarHBondContact O-N 2.86Å; A987-V989 PolarHBondContact O-N 3.25Å; V989-R993 VanDerWaalsContact O-CB 3.26Å; V989-R993 WeakPolarHBondContact O-CB 3.29Å; V989-R993 PolarHBondContact O-N 2.84Å |
| 990 | Q | 58.3 | Low | 68 | Low | 59 Ų | 59 | 43.8 Ų | 43.8 | 28% | 0.276 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.9 | -42.6 | -177.1 | -170.1 | 64.9 | 6.8 | 0 | 0 | 111.9 | A987 R993 Q994 | A987-Q990 PolarHBondContact O-N 2.93Å; Q990-R993 PolarHBondContact O-N 3.32Å; Q990-Q994 HydrophobicContact CG-CG 4.47Å; Q990-Q994 WeakPolarHBondContact O-CB 3.47Å; Q990-Q994 VanDerWaalsContact O-CG 3.26Å; Q990-Q994 WeakPolarHBondContact O-CG 3.39Å; Q990-Q994 PolarHBondContact O-N 2.94Å |
| 991 | L | 58.3 | Low | 67.9 | Low | 30 Ų | 30 | 41.8 Ų | 41.8 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 175.4 | -72 | 173.5 | 0 | 0 | 0 | 111.6 | T881 A987 Q994 A995 | T881-L991 WeakPolarHBondContact O-CD2 3.4Å; A987-L991 HydrophobicContact CB-CD1 4.49Å; A987-L991 VanDerWaalsContact O-CB 3.26Å; A987-L991 WeakPolarHBondContact O-CB 3.45Å; A987-L991 WeakPolarHBondContact O-CG 3.44Å; A987-L991 PolarHBondContact O-N 3.48Å; L991-Q994 PolarHBondContact O-N 2.76Å; L991-A995 WeakPolarHBondContact O-CB 3.4Å; L991-A995 PolarHBondContact O-N 3.27Å |
| 992 | R | 63.5 | Low | 68.1 | Low | 86 Ų | 86 | 39.2 Ų | 39.2 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 176.7 | -73.6 | -165.4 | -98.4 | 138.2 | -14.8 | 111.5 | E988 A995 I996 | E988-R992 VanDerWaalsContact CD-NH2 3.3Å; E988-R992 PolarHBondContact O-N 2.91Å; E988-R992 IonicContact OE1-CZ 2.66Å; E988-R992 IonicContact OE1-NE 4Å; E988-R992 IonicContact OE1-NH2 3.96Å; E988-R992 PolarHBondContact OE1-NH2 2.89Å; R992-A995 PolarHBondContact O-N 2.8Å; R992-I996 WeakPolarHBondContact O-CB 3.46Å; R992-I996 WeakPolarHBondContact O-CD1 3.27Å; R992-I996 WeakPolarHBondContact O-CG1 3.44Å; R992-I996 PolarHBondContact O-N 3.1Å |
| 993 | R | 66 | Low | 68.4 | Low | 95 Ų | 95 | 38.6 Ų | 38.6 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 175.8 | -177.8 | 177.7 | 173.4 | 164.9 | -1.7 | 112.1 | E876 V989 Q990 I996 Q997 | E876-R993 IonicContact OE1-NH2 3.34Å; E876-R993 PolarHBondContact OE1-NH2 3.21Å; V989-R993 VanDerWaalsContact O-CB 3.26Å; V989-R993 WeakPolarHBondContact O-CB 3.29Å; V989-R993 PolarHBondContact O-N 2.84Å; Q990-R993 PolarHBondContact O-N 3.32Å; R993-I996 PolarHBondContact O-N 3.45Å; R993-Q997 HydrophobicContact CG-CG 4.44Å; R993-Q997 WeakPolarHBondContact O-CB 3.43Å; R993-Q997 WeakPolarHBondContact O-CG 3.31Å; R993-Q997 PolarHBondContact O-N 3.4Å; R993-Q997 PolarHBondContact O-OE1 2.69Å |
| 994 | Q | 63.3 | Low | 68.8 | Low | 31 Ų | 31 | 43.2 Ų | 43.2 | 15% | 0.145 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | 179.4 | -75.4 | 171.5 | -27.1 | 0 | 0 | 112.3 | Q990 L991 I996 Q997 A998 | Q990-Q994 HydrophobicContact CG-CG 4.47Å; Q990-Q994 WeakPolarHBondContact O-CB 3.47Å; Q990-Q994 VanDerWaalsContact O-CG 3.26Å; Q990-Q994 WeakPolarHBondContact O-CG 3.39Å; Q990-Q994 PolarHBondContact O-N 2.94Å; L991-Q994 PolarHBondContact O-N 2.76Å; Q994-I996 VanDerWaalsContact C-N 3.27Å; Q994-I996 PolarHBondContact O-N 2.82Å; Q994-Q997 PolarHBondContact O-N 3.12Å; Q994-A998 WeakPolarHBondContact O-CB 3.5Å; Q994-A998 PolarHBondContact O-N 3.14Å |
| 995 | A | 65.8 | Low | 69.5 | Low | 13 Ų | 13 | 43.2 Ų | 43.2 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L991 R992 L999 V1122 | L991-A995 WeakPolarHBondContact O-CB 3.4Å; L991-A995 PolarHBondContact O-N 3.27Å; R992-A995 PolarHBondContact O-N 2.8Å; A995-L999 PolarHBondContact O-N 2.8Å; A995-V1122 HydrophobicContact CB-CG2 3.94Å; A995-V1122 VanDerWaalsContact O-CG2 3.3Å; A995-V1122 WeakPolarHBondContact O-CG2 3.36Å |
| 996 | I | 74.3 | Confident | 70.5 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74.8 | -40.2 | 176.8 | -65 | 161.8 | 0 | 0 | 0 | 111.7 | R992 R993 Q994 A998 L999 E1000 C1054 Q1064 L1067 F1126 | R992-I996 WeakPolarHBondContact O-CB 3.46Å; R992-I996 WeakPolarHBondContact O-CD1 3.27Å; R992-I996 WeakPolarHBondContact O-CG1 3.44Å; R992-I996 PolarHBondContact O-N 3.1Å; R993-I996 PolarHBondContact O-N 3.45Å; Q994-I996 VanDerWaalsContact C-N 3.27Å; Q994-I996 PolarHBondContact O-N 2.82Å; I996-A998 VanDerWaalsContact C-N 3.28Å; I996-A998 PolarHBondContact O-N 3.48Å; I996-L999 CarbonylContact O-C 3.58Å; I996-L999 WeakPolarHBondContact O-CB 3.38Å; I996-L999 PolarHBondContact O-N 3.36Å; I996-L999 VanDerWaalsContact O-N 3.13Å; I996-E1000 WeakPolarHBondContact O-CG 3.33Å; I996-E1000 PolarHBondContact O-N 2.68Å; I996-C1054 VanDerWaalsContact CG2-SG 3.52Å; I996-Q1064 HydrophobicContact CD1-CB 4.07Å; I996-Q1064 HydrophobicContact CD1-CG 3.58Å; I996-L1067 HydrophobicContact CG2-CD2 4.42Å; I996-F1126 HydrophobicContact CD1-CE2 3.9Å; I996-F1126 HydrophobicContact CD1-CZ 3.57Å; I996-F1126 HydrophobicContact CG1-CE2 4.05Å; I996-F1126 HydrophobicContact CG1-CZ 4.17Å |
| 997 | Q | 72.3 | Confident | 71.6 | Confident | 37 Ų | 37 | 36.9 Ų | 36.9 | 17% | 0.173 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -39.4 | 172.8 | -78.8 | 169.9 | -45.4 | 0 | 0 | 111.4 | E876 R993 Q994 E1000 Q1001 | E876-Q997 PolarHBondContact OE1-NE2 2.89Å; E876-Q997 PolarHBondContact OE2-NE2 3.37Å; R993-Q997 HydrophobicContact CG-CG 4.44Å; R993-Q997 WeakPolarHBondContact O-CB 3.43Å; R993-Q997 WeakPolarHBondContact O-CG 3.31Å; R993-Q997 PolarHBondContact O-N 3.4Å; R993-Q997 PolarHBondContact O-OE1 2.69Å; Q994-Q997 PolarHBondContact O-N 3.12Å; Q997-E1000 PolarHBondContact O-N 2.78Å; Q997-Q1001 WeakPolarHBondContact O-CB 3.32Å; Q997-Q1001 PolarHBondContact O-N 2.88Å |
| 998 | A | 68.4 | Low | 72.7 | Confident | 50 Ų | 50 | 37.4 Ų | 37.4 | 41% | 0.413 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.3 | -42.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q994 I996 Q1001 A1002 | Q994-A998 WeakPolarHBondContact O-CB 3.5Å; Q994-A998 PolarHBondContact O-N 3.14Å; I996-A998 VanDerWaalsContact C-N 3.28Å; I996-A998 PolarHBondContact O-N 3.48Å; A998-Q1001 PolarHBondContact O-N 3.37Å; A998-A1002 PolarHBondContact O-N 3.07Å |
| 999 | L | 81.5 | Confident | 74 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -45.2 | 174.5 | -176.7 | 67 | 0 | 0 | 0 | 112.1 | A995 I996 Q1001 A1002 A1003 L1067 L1068 C1071 L1115 A1118 V1119 V1122 | A995-L999 PolarHBondContact O-N 2.8Å; I996-L999 CarbonylContact O-C 3.58Å; I996-L999 WeakPolarHBondContact O-CB 3.38Å; I996-L999 PolarHBondContact O-N 3.36Å; I996-L999 VanDerWaalsContact O-N 3.13Å; L999-Q1001 VanDerWaalsContact C-N 3.3Å; L999-Q1001 PolarHBondContact O-N 3.49Å; L999-A1002 PolarHBondContact O-N 3.36Å; L999-A1003 WeakPolarHBondContact O-CB 3.36Å; L999-A1003 PolarHBondContact O-N 2.62Å; L999-L1067 HydrophobicContact CD2-CD2 4.18Å; L999-L1067 HydrophobicContact CD2-CG 4.02Å; L999-L1067 HydrophobicContact CG-CD2 4.39Å; L999-L1067 HydrophobicContact CG-CG 4.41Å; L999-L1068 HydrophobicContact CD2-CB 4.45Å; L999-L1068 HydrophobicContact CD2-CD1 4.22Å; L999-C1071 HydrophobicContact CD1-CB 4.1Å; L999-L1115 HydrophobicContact CD1-CD1 3.75Å; L999-A1118 HydrophobicContact CB-CB 4.46Å; L999-A1118 HydrophobicContact CD1-CB 4.06Å; L999-V1119 HydrophobicContact CD1-CG2 3.59Å; L999-V1122 HydrophobicContact CB-CG2 4.03Å; L999-V1122 HydrophobicContact CD2-CB 4.43Å; L999-V1122 HydrophobicContact CD2-CG1 4.23Å; L999-V1122 HydrophobicContact CD2-CG2 4.15Å |
| 1000 | E | 80.2 | Confident | 75.5 | Confident | 10 Ų | 10 | 31.1 Ų | 31.1 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -37.8 | 174.5 | -78.2 | -172.2 | -156.3 | 0 | 0 | 112.7 | I996 Q997 R1004 V1051 C1054 Q1055 L1067 | I996-E1000 WeakPolarHBondContact O-CG 3.33Å; I996-E1000 PolarHBondContact O-N 2.68Å; Q997-E1000 PolarHBondContact O-N 2.78Å; E1000-R1004 WeakPolarHBondContact O-CB 3.43Å; E1000-R1004 VanDerWaalsContact O-CG 3.32Å; E1000-R1004 WeakPolarHBondContact O-CG 3.49Å; E1000-R1004 PolarHBondContact O-N 3Å; E1000-R1004 PolarHBondContact O-NE 3.44Å; E1000-R1004 IonicContact OE2-CZ 3.09Å; E1000-R1004 IonicContact OE2-NH2 2.93Å; E1000-R1004 PolarHBondContact OE2-NH2 3.13Å; E1000-V1051 HydrophobicContact CG-CG1 4.39Å; E1000-C1054 PolarHBondContact OE1-SG 3.13Å; E1000-C1054 VanDerWaalsContact OE1-SG 3.35Å; E1000-Q1055 WeakPolarHBondContact OE2-CG 3.43Å; E1000-Q1055 PolarHBondContact OE2-NE2 3.35Å; E1000-L1067 HydrophobicContact CG-CD2 3.66Å |
| 1001 | Q | 77 | Confident | 76.8 | Confident | 63 Ų | 63 | 29 Ų | 29 | 29% | 0.294 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68.7 | -47.1 | 177.3 | -174 | 168.4 | 30.5 | 0 | 0 | 110.4 | Q997 A998 L999 A1003 R1004 Q1005 | Q997-Q1001 WeakPolarHBondContact O-CB 3.32Å; Q997-Q1001 PolarHBondContact O-N 2.88Å; A998-Q1001 PolarHBondContact O-N 3.37Å; L999-Q1001 VanDerWaalsContact C-N 3.3Å; L999-Q1001 PolarHBondContact O-N 3.49Å; Q1001-A1003 VanDerWaalsContact C-N 3.33Å; Q1001-A1003 PolarHBondContact O-N 3.25Å; Q1001-R1004 PolarHBondContact O-N 3.29Å; Q1001-Q1005 WeakPolarHBondContact O-CG 3.43Å; Q1001-Q1005 PolarHBondContact O-N 2.86Å |
| 1002 | A | 81.5 | Confident | 78 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 3% | 0.033 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -37.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A998 L999 Q1005 T1006 E1114 L1115 A1118 | A998-A1002 PolarHBondContact O-N 3.07Å; L999-A1002 PolarHBondContact O-N 3.36Å; A1002-Q1005 PolarHBondContact O-N 3.45Å; A1002-T1006 WeakPolarHBondContact O-CB 3.42Å; A1002-T1006 PolarHBondContact O-N 3.3Å; A1002-T1006 PolarHBondContact O-OG1 3.47Å; A1002-E1114 HydrophobicContact CB-CB 4.43Å; A1002-L1115 HydrophobicContact CB-CB 4.13Å; A1002-L1115 HydrophobicContact CB-CD1 3.99Å; A1002-A1118 HydrophobicContact CB-CB 4.21Å |
| 1003 | A | 85.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63 | -47.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L999 Q1001 Q1005 T1006 A1007 L1047 V1051 L1067 L1115 | L999-A1003 WeakPolarHBondContact O-CB 3.36Å; L999-A1003 PolarHBondContact O-N 2.62Å; Q1001-A1003 VanDerWaalsContact C-N 3.33Å; Q1001-A1003 PolarHBondContact O-N 3.25Å; A1003-Q1005 PolarHBondContact O-N 2.84Å; A1003-T1006 PolarHBondContact O-N 2.95Å; A1003-A1007 WeakPolarHBondContact O-CB 3.2Å; A1003-A1007 PolarHBondContact O-N 3.42Å; A1003-L1047 HydrophobicContact CB-CD1 3.85Å; A1003-L1047 HydrophobicContact CB-CD2 4.23Å; A1003-L1047 HydrophobicContact CB-CG 4.14Å; A1003-V1051 HydrophobicContact CB-CG2 3.72Å; A1003-L1067 HydrophobicContact CB-CD1 4.39Å; A1003-L1115 HydrophobicContact CB-CD1 4.49Å |
| 1004 | R | 82 | Confident | 80.1 | Confident | 97 Ų | 97 | 19.8 Ų | 19.8 | 37% | 0.366 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -60 | -43.9 | 174.4 | -79.9 | 180 | -90.3 | 176.6 | -11.1 | 112.3 | E1000 Q1001 T1006 A1007 A1008 V1051 Q1055 | E1000-R1004 WeakPolarHBondContact O-CB 3.43Å; E1000-R1004 VanDerWaalsContact O-CG 3.32Å; E1000-R1004 WeakPolarHBondContact O-CG 3.49Å; E1000-R1004 PolarHBondContact O-N 3Å; E1000-R1004 PolarHBondContact O-NE 3.44Å; E1000-R1004 IonicContact OE2-CZ 3.09Å; E1000-R1004 IonicContact OE2-NH2 2.93Å; E1000-R1004 PolarHBondContact OE2-NH2 3.13Å; Q1001-R1004 PolarHBondContact O-N 3.29Å; R1004-T1006 VanDerWaalsContact C-N 3.34Å; R1004-T1006 PolarHBondContact O-N 2.92Å; R1004-A1007 PolarHBondContact O-N 3.4Å; R1004-A1008 WeakPolarHBondContact O-CB 3.28Å; R1004-A1008 PolarHBondContact O-N 3.41Å; R1004-V1051 HydrophobicContact CG-CG1 4.03Å; R1004-Q1055 VanDerWaalsContact NH2-NE2 3.1Å |
| 1005 | Q | 82.2 | Confident | 81 | Confident | 40 Ų | 40 | 18.6 Ų | 18.6 | 19% | 0.187 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 174.7 | -71.2 | -168 | 67.2 | 0 | 0 | 112.1 | P816 Q1001 A1002 A1003 A1008 G1009 A1111 E1114 | P816-Q1005 HydrophobicContact CG-CG 4.01Å; Q1001-Q1005 WeakPolarHBondContact O-CG 3.43Å; Q1001-Q1005 PolarHBondContact O-N 2.86Å; A1002-Q1005 PolarHBondContact O-N 3.45Å; A1003-Q1005 PolarHBondContact O-N 2.84Å; Q1005-A1008 PolarHBondContact O-N 3.04Å; Q1005-G1009 PolarHBondContact O-N 3.26Å; Q1005-A1111 HydrophobicContact CB-CB 3.81Å; Q1005-E1114 PolarHBondContact NE2-OE2 2.97Å |
| 1006 | T | 85.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.6 | -42.8 | 178.9 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | A1002 A1003 R1004 G1009 A1010 V1074 L1108 A1111 L1112 L1115 | A1002-T1006 WeakPolarHBondContact O-CB 3.42Å; A1002-T1006 PolarHBondContact O-N 3.3Å; A1002-T1006 PolarHBondContact O-OG1 3.47Å; A1003-T1006 PolarHBondContact O-N 2.95Å; R1004-T1006 VanDerWaalsContact C-N 3.34Å; R1004-T1006 PolarHBondContact O-N 2.92Å; T1006-G1009 PolarHBondContact O-N 2.89Å; T1006-A1010 VanDerWaalsContact O-CB 3.3Å; T1006-A1010 WeakPolarHBondContact O-CB 3.39Å; T1006-A1010 PolarHBondContact O-N 3.02Å; T1006-V1074 HydrophobicContact CG2-CG1 3.98Å; T1006-L1108 HydrophobicContact CG2-CD1 4.06Å; T1006-A1111 PolarHBondContact OG1-O 2.95Å; T1006-L1112 HydrophobicContact CG2-CD1 4Å; T1006-L1115 HydrophobicContact CG2-CD2 4.03Å |
| 1007 | A | 85.9 | Confident | 82.4 | Confident | 3 Ų | 3 | 17.8 Ų | 17.8 | 3% | 0.025 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1003 R1004 A1010 T1011 V1044 L1047 I1048 | A1003-A1007 WeakPolarHBondContact O-CB 3.2Å; A1003-A1007 PolarHBondContact O-N 3.42Å; R1004-A1007 PolarHBondContact O-N 3.4Å; A1007-A1010 PolarHBondContact O-N 3.48Å; A1007-T1011 WeakPolarHBondContact O-CB 3.3Å; A1007-T1011 PolarHBondContact O-N 3.49Å; A1007-T1011 PolarHBondContact O-OG1 3.26Å; A1007-V1044 HydrophobicContact CB-CG1 3.95Å; A1007-L1047 HydrophobicContact CB-CD2 4.38Å; A1007-I1048 HydrophobicContact CB-CD1 4.31Å; A1007-I1048 HydrophobicContact CB-CG1 3.95Å |
| 1008 | A | 81.9 | Confident | 82.9 | Confident | 25 Ų | 25 | 22.5 Ų | 22.5 | 21% | 0.207 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D631 R1004 Q1005 T1011 Q1012 | D631-A1008 HydrophobicContact CB-CB 4.38Å; R1004-A1008 WeakPolarHBondContact O-CB 3.28Å; R1004-A1008 PolarHBondContact O-N 3.41Å; Q1005-A1008 PolarHBondContact O-N 3.04Å; A1008-T1011 PolarHBondContact O-N 2.94Å; A1008-Q1012 WeakPolarHBondContact O-CG 3.44Å; A1008-Q1012 PolarHBondContact O-N 3.35Å |
| 1009 | G | 84.7 | Confident | 83.4 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 4% | 0.041 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1005 T1006 T1011 Q1012 V1013 | Q1005-G1009 PolarHBondContact O-N 3.26Å; T1006-G1009 PolarHBondContact O-N 2.89Å; G1009-T1011 PolarHBondContact O-N 3.05Å; G1009-Q1012 PolarHBondContact O-N 3.37Å; G1009-V1013 WeakPolarHBondContact O-CG2 3.38Å; G1009-V1013 PolarHBondContact O-N 2.84Å |
| 1010 | A | 87.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.8 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | T1006 A1007 Q1012 V1013 A1014 V1040 V1044 L1108 | T1006-A1010 VanDerWaalsContact O-CB 3.3Å; T1006-A1010 WeakPolarHBondContact O-CB 3.39Å; T1006-A1010 PolarHBondContact O-N 3.02Å; A1007-A1010 PolarHBondContact O-N 3.48Å; A1010-Q1012 PolarHBondContact O-N 2.71Å; A1010-V1013 PolarHBondContact O-N 3.45Å; A1010-A1014 WeakPolarHBondContact O-CB 3.44Å; A1010-A1014 PolarHBondContact O-N 3.47Å; A1010-V1040 HydrophobicContact CB-CG1 3.99Å; A1010-V1044 HydrophobicContact CB-CG2 3.61Å; A1010-L1108 HydrophobicContact CB-CD1 4.12Å |
| 1011 | T | 85.6 | Confident | 83.3 | Confident | 13 Ų | 13 | 24.3 Ų | 24.3 | 8% | 0.08 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64 | -38.6 | 175.2 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | A1007 A1008 G1009 T1015 | A1007-T1011 WeakPolarHBondContact O-CB 3.3Å; A1007-T1011 PolarHBondContact O-N 3.49Å; A1007-T1011 PolarHBondContact O-OG1 3.26Å; A1008-T1011 PolarHBondContact O-N 2.94Å; G1009-T1011 PolarHBondContact O-N 3.05Å; T1011-T1015 PolarHBondContact O-N 2.96Å; T1011-T1015 VanDerWaalsContact O-N 3.11Å; T1011-T1015 PolarHBondContact O-OG1 2.99Å; T1011-T1015 VanDerWaalsContact O-OG1 3.04Å |
| 1012 | Q | 84.2 | Confident | 83.4 | Confident | 14 Ų | 14 | 26.1 Ų | 26.1 | 7% | 0.065 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69 | -41.9 | 173.7 | -68.2 | -55.2 | -63.7 | 0 | 0 | 112 | A635 N669 A1008 G1009 A1010 A1014 T1015 A1016 | A635-Q1012 VanDerWaalsContact CB-CD 3.45Å; A635-Q1012 HydrophobicContact CB-CG 4.28Å; N669-Q1012 PolarHBondContact ND2-NE2 2.8Å; N669-Q1012 PolarHBondContact ND2-OE1 3.12Å; A1008-Q1012 WeakPolarHBondContact O-CG 3.44Å; A1008-Q1012 PolarHBondContact O-N 3.35Å; G1009-Q1012 PolarHBondContact O-N 3.37Å; A1010-Q1012 PolarHBondContact O-N 2.71Å; Q1012-A1014 PolarHBondContact O-N 3.5Å; Q1012-T1015 PolarHBondContact O-N 3.43Å; Q1012-A1016 WeakPolarHBondContact O-CB 3.27Å; Q1012-A1016 PolarHBondContact O-N 3.29Å |
| 1013 | V | 86.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 173.4 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | G1009 A1010 T1015 A1016 V1017 L1081 L1101 S1104 L1108 | G1009-V1013 WeakPolarHBondContact O-CG2 3.38Å; G1009-V1013 PolarHBondContact O-N 2.84Å; A1010-V1013 PolarHBondContact O-N 3.45Å; V1013-T1015 VanDerWaalsContact C-N 3.26Å; V1013-T1015 PolarHBondContact O-N 3.29Å; V1013-A1016 PolarHBondContact O-N 2.86Å; V1013-A1016 VanDerWaalsContact O-N 3.17Å; V1013-V1017 HydrophobicContact CG1-CG2 4.25Å; V1013-V1017 WeakPolarHBondContact O-CG2 3.45Å; V1013-V1017 PolarHBondContact O-N 3.12Å; V1013-L1081 HydrophobicContact CG1-CD2 3.99Å; V1013-L1081 HydrophobicContact CG1-CG 4.26Å; V1013-L1101 HydrophobicContact CG1-CD1 4.44Å; V1013-S1104 VanDerWaalsContact CG2-C 3.47Å; V1013-S1104 WeakPolarHBondContact CG2-O 3.35Å; V1013-L1108 HydrophobicContact CB-CD2 4.43Å; V1013-L1108 HydrophobicContact CG2-CB 4.04Å; V1013-L1108 HydrophobicContact CG2-CD2 3.97Å |
| 1014 | A | 85.8 | Confident | 83 | Confident | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.033 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.1 | -36.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1010 Q1012 R1018 C1037 N1041 | A1010-A1014 WeakPolarHBondContact O-CB 3.44Å; A1010-A1014 PolarHBondContact O-N 3.47Å; Q1012-A1014 PolarHBondContact O-N 3.5Å; A1014-R1018 WeakPolarHBondContact O-CG 3.49Å; A1014-R1018 PolarHBondContact O-N 3.14Å; A1014-C1037 VanDerWaalsContact CA-SG 3.51Å; A1014-C1037 WeakPolarHBondContact CB-SG 3.19Å; A1014-N1041 WeakPolarHBondContact CB-OD1 3.41Å |
| 1015 | T | 82.9 | Confident | 82.8 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.3 | -40 | 175.5 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | S668 N669 T1011 Q1012 V1013 R1018 V1019 | S668-T1015 WeakPolarHBondContact O-CG2 3.48Å; N669-T1015 WeakPolarHBondContact OD1-CG2 3.35Å; T1011-T1015 PolarHBondContact O-N 2.96Å; T1011-T1015 VanDerWaalsContact O-N 3.11Å; T1011-T1015 PolarHBondContact O-OG1 2.99Å; T1011-T1015 VanDerWaalsContact O-OG1 3.04Å; Q1012-T1015 PolarHBondContact O-N 3.43Å; V1013-T1015 VanDerWaalsContact C-N 3.26Å; V1013-T1015 PolarHBondContact O-N 3.29Å; T1015-R1018 PolarHBondContact O-N 3.04Å; T1015-V1019 WeakPolarHBondContact O-CG2 3.45Å; T1015-V1019 PolarHBondContact O-N 3.4Å |
| 1016 | A | 83.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1012 V1013 R1018 V1019 C1020 Q1100 L1101 | Q1012-A1016 WeakPolarHBondContact O-CB 3.27Å; Q1012-A1016 PolarHBondContact O-N 3.29Å; V1013-A1016 PolarHBondContact O-N 2.86Å; V1013-A1016 VanDerWaalsContact O-N 3.17Å; A1016-R1018 VanDerWaalsContact C-N 3.33Å; A1016-R1018 PolarHBondContact O-N 3.37Å; A1016-V1019 WeakPolarHBondContact O-CB 3.34Å; A1016-V1019 PolarHBondContact O-N 3.27Å; A1016-V1019 VanDerWaalsContact O-N 3.07Å; A1016-C1020 PolarHBondContact O-N 3.48Å; A1016-C1020 PolarHBondContact O-SG 3.03Å; A1016-Q1100 HydrophobicContact CB-CG 4.21Å; A1016-L1101 HydrophobicContact CB-CB 4.3Å; A1016-L1101 HydrophobicContact CB-CD1 3.93Å |
| 1017 | V | 85.3 | Confident | 81.4 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.6 | -45.5 | 176.6 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | V1013 V1019 C1020 E1021 L1033 L1101 | V1013-V1017 HydrophobicContact CG1-CG2 4.25Å; V1013-V1017 WeakPolarHBondContact O-CG2 3.45Å; V1013-V1017 PolarHBondContact O-N 3.12Å; V1017-V1019 VanDerWaalsContact C-N 3.29Å; V1017-V1019 PolarHBondContact O-N 2.95Å; V1017-C1020 PolarHBondContact O-N 3.46Å; V1017-E1021 PolarHBondContact O-N 3.37Å; V1017-L1033 HydrophobicContact CG1-CB 4.1Å; V1017-L1101 HydrophobicContact CG2-CD1 3.86Å |
| 1018 | R | 84.1 | Confident | 80.4 | Confident | 135 Ų | 135 | 36.8 Ų | 36.8 | 51% | 0.509 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63 | -30.2 | 176.7 | -71.6 | 176.9 | 179.9 | 157.3 | 6.6 | 113.8 | A1014 T1015 A1016 | A1014-R1018 WeakPolarHBondContact O-CG 3.49Å; A1014-R1018 PolarHBondContact O-N 3.14Å; T1015-R1018 PolarHBondContact O-N 3.04Å; A1016-R1018 VanDerWaalsContact C-N 3.33Å; A1016-R1018 PolarHBondContact O-N 3.37Å |
| 1019 | V | 77.8 | Confident | 79.9 | Confident | 34 Ų | 34 | 36.6 Ų | 36.6 | 21% | 0.206 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.1 | -34.3 | 172.4 | 177.2 | 0 | 0 | 0 | 0 | 111 | S668 T1015 A1016 V1017 P1022 Y1023 A1097 | S668-V1019 VanDerWaalsContact CB-CG2 3.45Å; T1015-V1019 WeakPolarHBondContact O-CG2 3.45Å; T1015-V1019 PolarHBondContact O-N 3.4Å; A1016-V1019 WeakPolarHBondContact O-CB 3.34Å; A1016-V1019 PolarHBondContact O-N 3.27Å; A1016-V1019 VanDerWaalsContact O-N 3.07Å; V1017-V1019 VanDerWaalsContact C-N 3.29Å; V1017-V1019 PolarHBondContact O-N 2.95Å; V1019-P1022 WeakPolarHBondContact O-CD 3.46Å; V1019-Y1023 VanDerWaalsContact O-CD2 3.24Å; V1019-Y1023 WeakPolarHBondContact O-CD2 3.43Å; V1019-Y1023 WeakPolarHBondContact O-CE2 3.45Å; V1019-A1097 HydrophobicContact CG1-CB 4.17Å |
| 1020 | C | 79.8 | Confident | 79.6 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -79.7 | -27.9 | -178.5 | -64.8 | 0 | 0 | 0 | 0 | 114.3 | A1016 V1017 Y1023 N1024 I1092 A1097 | A1016-C1020 PolarHBondContact O-N 3.48Å; A1016-C1020 PolarHBondContact O-SG 3.03Å; V1017-C1020 PolarHBondContact O-N 3.46Å; C1020-Y1023 PolarHBondContact O-N 2.92Å; C1020-N1024 PolarHBondContact O-N 3.26Å; C1020-I1092 HydrophobicContact CB-CD1 3.82Å; C1020-I1092 HydrophobicContact CB-CG1 4.23Å; C1020-I1092 HydrophobicContact CB-CG2 4.49Å; C1020-A1097 PolarHBondContact SG-O 3.04Å |
| 1021 | E | 79.8 | Confident | 78.9 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 29% | 0.29 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.8 | -49.7 | 178.7 | -80.4 | -178.6 | 169.6 | 0 | 0 | 115.1 | V1017 Y1023 R1030 S1034 | V1017-E1021 PolarHBondContact O-N 3.37Å; E1021-Y1023 VanDerWaalsContact C-N 3.33Å; E1021-Y1023 PolarHBondContact O-N 3.15Å; E1021-R1030 HydrophobicContact CB-CG 4.33Å; E1021-R1030 HydrophobicContact CG-CG 3.98Å; E1021-R1030 PolarHBondContact O-NE 2.69Å; E1021-R1030 VanDerWaalsContact O-NE 3.13Å; E1021-S1034 PolarHBondContact OE1-OG 3.24Å |
| 1022 | P | 80.2 | Confident | 78.3 | Confident | 101 Ų | 101 | 45.4 Ų | 45.4 | 66% | 0.656 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -17.2 | 178.5 | 28.7 | -37.2 | 0 | 0 | 0 | 115 | V1019 | V1019-P1022 WeakPolarHBondContact O-CD 3.46Š|
| 1023 | Y | 80.4 | Confident | 78.1 | Confident | 102 Ų | 102 | 45.1 Ų | 45.1 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -10.4 | -179.5 | -57 | -65.5 | 0 | 0 | 0 | 113.6 | V1019 C1020 E1021 K1093 D1094 A1097 | V1019-Y1023 VanDerWaalsContact O-CD2 3.24Å; V1019-Y1023 WeakPolarHBondContact O-CD2 3.43Å; V1019-Y1023 WeakPolarHBondContact O-CE2 3.45Å; C1020-Y1023 PolarHBondContact O-N 2.92Å; E1021-Y1023 VanDerWaalsContact C-N 3.33Å; E1021-Y1023 PolarHBondContact O-N 3.15Å; Y1023-K1093 PolarHBondContact O-N 3.41Å; Y1023-D1094 HydrophobicContact CD1-CB 4.05Å; Y1023-D1094 HydrophobicContact CD2-CB 4.09Å; Y1023-D1094 HydrophobicContact CE1-CB 4.41Å; Y1023-D1094 HydrophobicContact CE2-CB 4.45Å; Y1023-D1094 HydrophobicContact CG-CB 3.88Å; Y1023-A1097 HydrophobicContact CD2-CB 4.21Å |
| 1024 | N | 78 | Confident | 77.9 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -81 | 118.1 | 179.5 | -175.4 | -12.1 | 0 | 0 | 0 | 111.4 | C1020 S1026 S1029 R1030 T1091 I1092 | C1020-N1024 PolarHBondContact O-N 3.26Å; N1024-S1026 PolarHBondContact OD1-N 3.24Å; N1024-S1026 PolarHBondContact OD1-O 2.92Å; N1024-S1029 PolarHBondContact ND2-OG 3.48Å; N1024-S1029 PolarHBondContact OD1-OG 3.29Å; N1024-S1029 VanDerWaalsContact OD1-OG 3.05Å; N1024-R1030 PolarHBondContact O-NH2 2.84Å; N1024-T1091 WeakPolarHBondContact OD1-CB 3.33Å; N1024-T1091 PolarHBondContact OD1-OG1 3.45Å; N1024-I1092 HydrophobicContact CB-CG1 4.45Å |
| 1025 | T | 76.2 | Confident | 77.6 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 52% | 0.521 | 28% | 0.275 | S | S | . | . | trans | -79.1 | -20.6 | -178.7 | 52.4 | 0 | 0 | 0 | 0 | 115 | T1091 K1093 | T1025-T1091 PolarHBondContact N-O 3.23Å; T1025-T1091 VanDerWaalsContact N-O 3.17Å; T1025-T1091 PolarHBondContact OG1-O 3.44Å; T1025-K1093 HydrophobicContact CG2-CD 3.87Å; T1025-K1093 HydrophobicContact CG2-CG 4.29Å | ||
| 1026 | S | 69.9 | Low | 77.6 | Confident | 36 Ų | 36 | 54.7 Ų | 54.7 | 25% | 0.252 | 29% | 0.288 | S | S | . | . | trans | -92.8 | 114.3 | 179.7 | 164 | 0 | 0 | 0 | 0 | 110.6 | N1024 S1029 R1030 | N1024-S1026 PolarHBondContact OD1-N 3.24Å; N1024-S1026 PolarHBondContact OD1-O 2.92Å; S1026-S1029 VanDerWaalsContact CB-OG 3.27Å; S1026-S1029 WeakPolarHBondContact CB-OG 3.38Å; S1026-S1029 PolarHBondContact O-N 2.82Å; S1026-S1029 PolarHBondContact O-OG 3.39Å; S1026-S1029 PolarHBondContact OG-N 3.38Å; S1026-S1029 PolarHBondContact OG-OG 3.06Å; S1026-R1030 PolarHBondContact O-N 3.25Å; S1026-R1030 VanDerWaalsContact O-N 3.08Å | ||
| 1027 | A | 69.9 | Low | 77.6 | Confident | 50 Ų | 50 | 55 Ų | 55 | 41% | 0.413 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | S1029 R1030 D1031 | A1027-S1029 PolarHBondContact O-N 2.69Å; A1027-R1030 WeakPolarHBondContact O-CB 3.1Å; A1027-R1030 PolarHBondContact O-N 3.22Å; A1027-R1030 VanDerWaalsContact O-N 3.13Å; A1027-D1031 PolarHBondContact O-N 2.59Å |
| 1028 | Q | 65.4 | Low | 77.5 | Confident | 90 Ų | 90 | 58.5 Ų | 58.5 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.4 | -47.4 | 176.8 | -173.9 | -169.5 | 32.1 | 0 | 0 | 112.1 | R1030 D1031 A1032 | Q1028-R1030 PolarHBondContact O-N 2.61Å; Q1028-D1031 PolarHBondContact O-N 3.38Å; Q1028-A1032 VanDerWaalsContact O-CB 3.31Å; Q1028-A1032 WeakPolarHBondContact O-CB 3.4Å; Q1028-A1032 PolarHBondContact O-N 3.45Å |
| 1029 | S | 70.6 | Confident | 77.4 | Confident | 21 Ų | 21 | 57 Ų | 57 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.7 | -35.2 | 178.9 | 72.1 | 0 | 0 | 0 | 0 | 112.3 | N1024 S1026 A1027 L1033 | N1024-S1029 PolarHBondContact ND2-OG 3.48Å; N1024-S1029 PolarHBondContact OD1-OG 3.29Å; N1024-S1029 VanDerWaalsContact OD1-OG 3.05Å; S1026-S1029 VanDerWaalsContact CB-OG 3.27Å; S1026-S1029 WeakPolarHBondContact CB-OG 3.38Å; S1026-S1029 PolarHBondContact O-N 2.82Å; S1026-S1029 PolarHBondContact O-OG 3.39Å; S1026-S1029 PolarHBondContact OG-N 3.38Å; S1026-S1029 PolarHBondContact OG-OG 3.06Å; A1027-S1029 PolarHBondContact O-N 2.69Å; S1029-L1033 VanDerWaalsContact O-CB 3.27Å; S1029-L1033 WeakPolarHBondContact O-CB 3.43Å; S1029-L1033 WeakPolarHBondContact O-CD1 3.49Å; S1029-L1033 WeakPolarHBondContact O-CG 3.34Å; S1029-L1033 PolarHBondContact O-N 3Å |
| 1030 | R | 78.1 | Confident | 77.8 | Confident | 78 Ų | 78 | 55.6 Ų | 55.6 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 175.8 | -161.2 | -168.8 | -52.2 | 108 | 7.2 | 110.9 | E1021 N1024 S1026 A1027 Q1028 S1034 | E1021-R1030 HydrophobicContact CB-CG 4.33Å; E1021-R1030 HydrophobicContact CG-CG 3.98Å; E1021-R1030 PolarHBondContact O-NE 2.69Å; E1021-R1030 VanDerWaalsContact O-NE 3.13Å; N1024-R1030 PolarHBondContact O-NH2 2.84Å; S1026-R1030 PolarHBondContact O-N 3.25Å; S1026-R1030 VanDerWaalsContact O-N 3.08Å; A1027-R1030 WeakPolarHBondContact O-CB 3.1Å; A1027-R1030 PolarHBondContact O-N 3.22Å; A1027-R1030 VanDerWaalsContact O-N 3.13Å; Q1028-R1030 PolarHBondContact O-N 2.61Å; R1030-S1034 WeakPolarHBondContact O-CB 3.4Å; R1030-S1034 PolarHBondContact O-N 2.92Å |
| 1031 | D | 74.1 | Confident | 77.9 | Confident | 88 Ų | 88 | 57 Ų | 57 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | -178.8 | -66.1 | -9.8 | 0 | 0 | 0 | 111.7 | A1027 Q1028 S1034 Q1035 | A1027-D1031 PolarHBondContact O-N 2.59Å; Q1028-D1031 PolarHBondContact O-N 3.38Å; D1031-S1034 PolarHBondContact O-N 2.76Å; D1031-Q1035 WeakPolarHBondContact O-CB 3.19Å; D1031-Q1035 VanDerWaalsContact O-CG 3.26Å; D1031-Q1035 WeakPolarHBondContact O-CG 3.28Å; D1031-Q1035 PolarHBondContact O-N 3.19Å; D1031-Q1035 PolarHBondContact O-NE2 2.92Å |
| 1032 | A | 71.6 | Confident | 78 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 31% | 0.306 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1028 S1034 Q1035 H1036 | Q1028-A1032 VanDerWaalsContact O-CB 3.31Å; Q1028-A1032 WeakPolarHBondContact O-CB 3.4Å; Q1028-A1032 PolarHBondContact O-N 3.45Å; A1032-S1034 VanDerWaalsContact C-N 3.34Å; A1032-S1034 PolarHBondContact O-N 3.46Å; A1032-Q1035 PolarHBondContact O-N 3.25Å; A1032-H1036 WeakPolarHBondContact O-CB 3.4Å; A1032-H1036 PolarHBondContact O-N 3.46Å |
| 1033 | L | 81.3 | Confident | 78.2 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 173.1 | -76.5 | 170 | 0 | 0 | 0 | 111.4 | V1017 S1029 C1037 | V1017-L1033 HydrophobicContact CG1-CB 4.1Å; S1029-L1033 VanDerWaalsContact O-CB 3.27Å; S1029-L1033 WeakPolarHBondContact O-CB 3.43Å; S1029-L1033 WeakPolarHBondContact O-CD1 3.49Å; S1029-L1033 WeakPolarHBondContact O-CG 3.34Å; S1029-L1033 PolarHBondContact O-N 3Å; L1033-C1037 WeakPolarHBondContact O-CB 3.06Å; L1033-C1037 PolarHBondContact O-N 3.16Å |
| 1034 | S | 81 | Confident | 78.4 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -43 | -179.6 | -154.8 | 0 | 0 | 0 | 0 | 111.2 | E1021 R1030 D1031 A1032 C1037 N1038 | E1021-S1034 PolarHBondContact OE1-OG 3.24Å; R1030-S1034 WeakPolarHBondContact O-CB 3.4Å; R1030-S1034 PolarHBondContact O-N 2.92Å; D1031-S1034 PolarHBondContact O-N 2.76Å; A1032-S1034 VanDerWaalsContact C-N 3.34Å; A1032-S1034 PolarHBondContact O-N 3.46Å; S1034-C1037 PolarHBondContact O-N 3.2Å; S1034-N1038 WeakPolarHBondContact O-CB 3.38Å; S1034-N1038 PolarHBondContact O-N 2.98Å; S1034-N1038 PolarHBondContact O-ND2 2.81Å |
| 1035 | Q | 80.5 | Confident | 78.6 | Confident | 111 Ų | 111 | 54.3 Ų | 54.3 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -51.9 | 175.2 | -75.4 | 167.5 | 52.3 | 0 | 0 | 112.5 | D1031 A1032 C1037 N1038 F1039 | D1031-Q1035 WeakPolarHBondContact O-CB 3.19Å; D1031-Q1035 VanDerWaalsContact O-CG 3.26Å; D1031-Q1035 WeakPolarHBondContact O-CG 3.28Å; D1031-Q1035 PolarHBondContact O-N 3.19Å; D1031-Q1035 PolarHBondContact O-NE2 2.92Å; A1032-Q1035 PolarHBondContact O-N 3.25Å; Q1035-C1037 VanDerWaalsContact C-N 3.34Å; Q1035-C1037 PolarHBondContact O-N 3.25Å; Q1035-N1038 PolarHBondContact O-N 3.36Å; Q1035-F1039 PolarHBondContact O-N 3.18Å; Q1035-F1039 VanDerWaalsContact O-N 3.12Å |
| 1036 | H | 81.6 | Confident | 78.9 | Confident | 68 Ų | 68 | 53 Ų | 53 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 177.9 | -69.2 | 153.5 | 0 | 0 | 0 | 112.4 | A1032 V1040 L1081 S1084 | A1032-H1036 WeakPolarHBondContact O-CB 3.4Å; A1032-H1036 PolarHBondContact O-N 3.46Å; H1036-V1040 WeakPolarHBondContact O-CG2 3.47Å; H1036-V1040 PolarHBondContact O-N 3Å; H1036-L1081 HydrophobicContact CB-CD1 4.05Å; H1036-S1084 PolarHBondContact ND1-OG 3Å |
| 1037 | C | 85.1 | Confident | 79.7 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.034 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 177.4 | 179.2 | 0 | 0 | 0 | 0 | 112 | A1014 L1033 S1034 Q1035 V1040 N1041 L1081 | A1014-C1037 VanDerWaalsContact CA-SG 3.51Å; A1014-C1037 WeakPolarHBondContact CB-SG 3.19Å; L1033-C1037 WeakPolarHBondContact O-CB 3.06Å; L1033-C1037 PolarHBondContact O-N 3.16Å; S1034-C1037 PolarHBondContact O-N 3.2Å; Q1035-C1037 VanDerWaalsContact C-N 3.34Å; Q1035-C1037 PolarHBondContact O-N 3.25Å; C1037-V1040 PolarHBondContact O-N 3.02Å; C1037-N1041 WeakPolarHBondContact O-CB 3.43Å; C1037-N1041 PolarHBondContact O-N 3.25Å; C1037-N1041 PolarHBondContact O-ND2 3.22Å; C1037-N1041 PolarHBondContact SG-ND2 3.19Å; C1037-N1041 VanDerWaalsContact SG-ND2 3.39Å; C1037-L1081 HydrophobicContact CB-CD1 4.34Å |
| 1038 | N | 82.5 | Confident | 80.4 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 177.4 | -70.2 | -31.4 | 0 | 0 | 0 | 111.6 | S1034 Q1035 V1040 N1041 E1042 | S1034-N1038 WeakPolarHBondContact O-CB 3.38Å; S1034-N1038 PolarHBondContact O-N 2.98Å; S1034-N1038 PolarHBondContact O-ND2 2.81Å; Q1035-N1038 PolarHBondContact O-N 3.36Å; N1038-V1040 PolarHBondContact O-N 3.3Å; N1038-N1041 PolarHBondContact O-N 3.28Å; N1038-E1042 PolarHBondContact O-N 2.94Å; N1038-E1042 VanDerWaalsContact O-N 3.12Å |
| 1039 | F | 82.5 | Confident | 81.2 | Confident | 105 Ų | 105 | 46.3 Ų | 46.3 | 46% | 0.461 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 175.7 | -175.9 | -119.1 | 0 | 0 | 0 | 112.8 | Q1035 E1042 L1043 P1077 | Q1035-F1039 PolarHBondContact O-N 3.18Å; Q1035-F1039 VanDerWaalsContact O-N 3.12Å; F1039-E1042 PolarHBondContact O-N 3.12Å; F1039-L1043 HydrophobicContact CD1-CD1 4.41Å; F1039-L1043 HydrophobicContact CE1-CD1 3.99Å; F1039-L1043 HydrophobicContact CZ-CD1 4.1Å; F1039-L1043 PolarHBondContact O-N 3.23Å; F1039-P1077 HydrophobicContact CD1-CB 4Å; F1039-P1077 HydrophobicContact CD1-CG 4.36Å; F1039-P1077 HydrophobicContact CE1-CB 3.84Å; F1039-P1077 HydrophobicContact CE1-CG 3.69Å |
| 1040 | V | 85.2 | Confident | 81.8 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | 174.1 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | A1010 H1036 C1037 N1038 E1042 L1043 V1044 P1077 L1081 | A1010-V1040 HydrophobicContact CB-CG1 3.99Å; H1036-V1040 WeakPolarHBondContact O-CG2 3.47Å; H1036-V1040 PolarHBondContact O-N 3Å; C1037-V1040 PolarHBondContact O-N 3.02Å; N1038-V1040 PolarHBondContact O-N 3.3Å; V1040-E1042 VanDerWaalsContact C-N 3.3Å; V1040-E1042 PolarHBondContact O-N 3.29Å; V1040-L1043 PolarHBondContact O-N 2.97Å; V1040-V1044 HydrophobicContact CG1-CG2 4.01Å; V1040-V1044 WeakPolarHBondContact O-CB 3.48Å; V1040-V1044 VanDerWaalsContact O-CG2 3.23Å; V1040-V1044 WeakPolarHBondContact O-CG2 3.32Å; V1040-V1044 PolarHBondContact O-N 3.46Å; V1040-P1077 HydrophobicContact CG2-CB 3.97Å; V1040-L1081 HydrophobicContact CB-CD2 4.02Å; V1040-L1081 HydrophobicContact CG1-CD2 4Å; V1040-L1081 HydrophobicContact CG2-CB 4.17Å; V1040-L1081 HydrophobicContact CG2-CD2 3.97Å |
| 1041 | N | 82.9 | Confident | 82.1 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -36.3 | 176.3 | -73 | -44.5 | 0 | 0 | 0 | 112.4 | A1014 C1037 N1038 N1045 | A1014-N1041 WeakPolarHBondContact CB-OD1 3.41Å; C1037-N1041 WeakPolarHBondContact O-CB 3.43Å; C1037-N1041 PolarHBondContact O-N 3.25Å; C1037-N1041 PolarHBondContact O-ND2 3.22Å; C1037-N1041 PolarHBondContact SG-ND2 3.19Å; C1037-N1041 VanDerWaalsContact SG-ND2 3.39Å; N1038-N1041 PolarHBondContact O-N 3.28Å; N1041-N1045 PolarHBondContact O-N 2.99Å; N1041-N1045 PolarHBondContact O-ND2 3.39Å |
| 1042 | E | 80.2 | Confident | 82.4 | Confident | 128 Ų | 128 | 40.7 Ų | 40.7 | 60% | 0.598 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -62.5 | -47.4 | 174.9 | -71.6 | 175 | -179.7 | 0 | 0 | 111.2 | N1038 F1039 V1040 N1045 S1046 | N1038-E1042 PolarHBondContact O-N 2.94Å; N1038-E1042 VanDerWaalsContact O-N 3.12Å; F1039-E1042 PolarHBondContact O-N 3.12Å; V1040-E1042 VanDerWaalsContact C-N 3.3Å; V1040-E1042 PolarHBondContact O-N 3.29Å; E1042-N1045 PolarHBondContact O-N 3.37Å; E1042-S1046 PolarHBondContact O-N 3.4Å |
| 1043 | L | 84.7 | Confident | 82.8 | Confident | 23 Ų | 23 | 42 Ų | 42 | 12% | 0.12 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.9 | -34.8 | 177.9 | -63.4 | 171.8 | 0 | 0 | 0 | 113.3 | F1039 V1040 N1045 S1046 L1047 V1074 P1077 | F1039-L1043 HydrophobicContact CD1-CD1 4.41Å; F1039-L1043 HydrophobicContact CE1-CD1 3.99Å; F1039-L1043 HydrophobicContact CZ-CD1 4.1Å; F1039-L1043 PolarHBondContact O-N 3.23Å; V1040-L1043 PolarHBondContact O-N 2.97Å; L1043-N1045 VanDerWaalsContact C-N 3.31Å; L1043-N1045 PolarHBondContact O-N 2.98Å; L1043-S1046 WeakPolarHBondContact O-CB 3.43Å; L1043-S1046 PolarHBondContact O-N 3.24Å; L1043-L1047 WeakPolarHBondContact O-CB 3.42Å; L1043-L1047 PolarHBondContact O-N 3.19Å; L1043-V1074 HydrophobicContact CB-CG2 4.01Å; L1043-P1077 HydrophobicContact CD1-CB 3.95Å; L1043-P1077 HydrophobicContact CD1-CG 3.67Å |
| 1044 | V | 84.8 | Confident | 82.7 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -35.7 | 175.7 | 167.7 | 0 | 0 | 0 | 0 | 111.6 | A1007 A1010 V1040 L1047 I1048 | A1007-V1044 HydrophobicContact CB-CG1 3.95Å; A1010-V1044 HydrophobicContact CB-CG2 3.61Å; V1040-V1044 HydrophobicContact CG1-CG2 4.01Å; V1040-V1044 WeakPolarHBondContact O-CB 3.48Å; V1040-V1044 VanDerWaalsContact O-CG2 3.23Å; V1040-V1044 WeakPolarHBondContact O-CG2 3.32Å; V1040-V1044 PolarHBondContact O-N 3.46Å; V1044-L1047 PolarHBondContact O-N 3.31Å; V1044-I1048 HydrophobicContact CG1-CD1 3.95Å; V1044-I1048 HydrophobicContact CG1-CG1 4.48Å; V1044-I1048 WeakPolarHBondContact O-CG1 3.45Å; V1044-I1048 PolarHBondContact O-N 2.81Å |
| 1045 | N | 83.4 | Confident | 82.5 | Confident | 61 Ų | 61 | 42.9 Ų | 42.9 | 33% | 0.326 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 174.1 | -62.5 | -32.1 | 0 | 0 | 0 | 111.3 | V624 N1041 E1042 L1043 I1048 T1049 | V624-N1045 HydrophobicContact CG1-CB 4.46Å; V624-N1045 VanDerWaalsContact CG1-OD1 3.25Å; V624-N1045 WeakPolarHBondContact CG1-OD1 3.3Å; V624-N1045 HydrophobicContact CG2-CB 4.17Å; N1041-N1045 PolarHBondContact O-N 2.99Å; N1041-N1045 PolarHBondContact O-ND2 3.39Å; E1042-N1045 PolarHBondContact O-N 3.37Å; L1043-N1045 VanDerWaalsContact C-N 3.31Å; L1043-N1045 PolarHBondContact O-N 2.98Å; N1045-I1048 PolarHBondContact O-N 2.66Å; N1045-T1049 PolarHBondContact O-N 2.65Å; N1045-T1049 VanDerWaalsContact O-N 3.11Å; N1045-T1049 PolarHBondContact O-OG1 2.68Å |
| 1046 | S | 82.3 | Confident | 82.2 | Confident | 57 Ų | 57 | 41.4 Ų | 41.4 | 40% | 0.399 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 173.5 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | E1042 L1043 T1049 S1050 | E1042-S1046 PolarHBondContact O-N 3.4Å; L1043-S1046 WeakPolarHBondContact O-CB 3.43Å; L1043-S1046 PolarHBondContact O-N 3.24Å; S1046-T1049 PolarHBondContact O-N 3.33Å; S1046-S1050 PolarHBondContact O-N 2.71Å; S1046-S1050 PolarHBondContact O-OG 3.5Å |
| 1047 | L | 86.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 178.8 | -174 | 66.5 | 0 | 0 | 0 | 112.6 | A1003 A1007 L1043 V1044 T1049 S1050 V1051 L1067 V1070 C1071 V1074 | A1003-L1047 HydrophobicContact CB-CD1 3.85Å; A1003-L1047 HydrophobicContact CB-CD2 4.23Å; A1003-L1047 HydrophobicContact CB-CG 4.14Å; A1007-L1047 HydrophobicContact CB-CD2 4.38Å; L1043-L1047 WeakPolarHBondContact O-CB 3.42Å; L1043-L1047 PolarHBondContact O-N 3.19Å; V1044-L1047 PolarHBondContact O-N 3.31Å; L1047-T1049 VanDerWaalsContact C-N 3.3Å; L1047-T1049 PolarHBondContact O-N 3.15Å; L1047-S1050 PolarHBondContact O-OG 3.47Å; L1047-V1051 WeakPolarHBondContact O-CB 3.37Å; L1047-V1051 VanDerWaalsContact O-CG2 3.27Å; L1047-V1051 WeakPolarHBondContact O-CG2 3.31Å; L1047-V1051 PolarHBondContact O-N 3.08Å; L1047-L1067 HydrophobicContact CD1-CD1 4.27Å; L1047-V1070 HydrophobicContact CB-CG1 3.99Å; L1047-V1070 HydrophobicContact CD1-CG1 4.04Å; L1047-C1071 VanDerWaalsContact CD1-SG 3.6Å; L1047-V1074 HydrophobicContact CB-CG2 4.46Å; L1047-V1074 HydrophobicContact CD2-CG1 4.37Å; L1047-V1074 HydrophobicContact CD2-CG2 4.35Å |
| 1048 | I | 84.5 | Confident | 81 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 175.4 | -68.1 | 165.4 | 0 | 0 | 0 | 110.3 | V624 Q627 A1007 V1044 N1045 K1052 | V624-I1048 HydrophobicContact CG2-CB 4.41Å; V624-I1048 HydrophobicContact CG2-CG2 4.28Å; Q627-I1048 HydrophobicContact CB-CD1 4.44Å; Q627-I1048 HydrophobicContact CB-CG2 3.8Å; Q627-I1048 HydrophobicContact CG-CD1 4.26Å; Q627-I1048 HydrophobicContact CG-CG1 4.3Å; Q627-I1048 HydrophobicContact CG-CG2 4.09Å; A1007-I1048 HydrophobicContact CB-CD1 4.31Å; A1007-I1048 HydrophobicContact CB-CG1 3.95Å; V1044-I1048 HydrophobicContact CG1-CD1 3.95Å; V1044-I1048 HydrophobicContact CG1-CG1 4.48Å; V1044-I1048 WeakPolarHBondContact O-CG1 3.45Å; V1044-I1048 PolarHBondContact O-N 2.81Å; N1045-I1048 PolarHBondContact O-N 2.66Å; I1048-K1052 WeakPolarHBondContact O-CG 3.17Å; I1048-K1052 PolarHBondContact O-N 3.22Å |
| 1049 | T | 82.6 | Confident | 80.3 | Confident | 25 Ų | 25 | 47 Ų | 47 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.8 | -46.5 | 179.8 | -52 | 0 | 0 | 0 | 0 | 111.4 | N1045 S1046 L1047 K1052 H1053 | N1045-T1049 PolarHBondContact O-N 2.65Å; N1045-T1049 VanDerWaalsContact O-N 3.11Å; N1045-T1049 PolarHBondContact O-OG1 2.68Å; S1046-T1049 PolarHBondContact O-N 3.33Å; L1047-T1049 VanDerWaalsContact C-N 3.3Å; L1047-T1049 PolarHBondContact O-N 3.15Å; T1049-K1052 PolarHBondContact O-N 3.1Å; T1049-K1052 VanDerWaalsContact O-N 3.15Å; T1049-H1053 PolarHBondContact O-N 3.1Å |
| 1050 | S | 82.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.3 | -35.1 | 178.5 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | S1046 L1047 K1052 H1053 C1054 | S1046-S1050 PolarHBondContact O-N 2.71Å; S1046-S1050 PolarHBondContact O-OG 3.5Å; L1047-S1050 PolarHBondContact O-OG 3.47Å; S1050-K1052 VanDerWaalsContact C-N 3.34Å; S1050-K1052 PolarHBondContact O-N 3.08Å; S1050-H1053 PolarHBondContact O-N 2.93Å; S1050-C1054 WeakPolarHBondContact O-CB 3.36Å; S1050-C1054 PolarHBondContact O-N 2.85Å |
| 1051 | V | 83.4 | Confident | 78.9 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 169 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | E1000 A1003 R1004 L1047 C1054 Q1055 L1067 | E1000-V1051 HydrophobicContact CG-CG1 4.39Å; A1003-V1051 HydrophobicContact CB-CG2 3.72Å; R1004-V1051 HydrophobicContact CG-CG1 4.03Å; L1047-V1051 WeakPolarHBondContact O-CB 3.37Å; L1047-V1051 VanDerWaalsContact O-CG2 3.27Å; L1047-V1051 WeakPolarHBondContact O-CG2 3.31Å; L1047-V1051 PolarHBondContact O-N 3.08Å; V1051-C1054 PolarHBondContact O-N 3.21Å; V1051-Q1055 HydrophobicContact CG1-CG 4.47Å; V1051-Q1055 WeakPolarHBondContact O-CB 3.18Å; V1051-Q1055 WeakPolarHBondContact O-CG 3.26Å; V1051-Q1055 PolarHBondContact O-N 3.08Å; V1051-L1067 HydrophobicContact CB-CD1 4.49Å; V1051-L1067 HydrophobicContact CG2-CD1 3.53Å |
| 1052 | K | 81.3 | Confident | 78.1 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.4 | -38.6 | 178.8 | -72.7 | -71.8 | 170.2 | -159.4 | 0 | 112.8 | D623 I1048 T1049 S1050 Q1055 S1056 | D623-K1052 HydrophobicContact CB-CG 4.47Å; I1048-K1052 WeakPolarHBondContact O-CG 3.17Å; I1048-K1052 PolarHBondContact O-N 3.22Å; T1049-K1052 PolarHBondContact O-N 3.1Å; T1049-K1052 VanDerWaalsContact O-N 3.15Å; S1050-K1052 VanDerWaalsContact C-N 3.34Å; S1050-K1052 PolarHBondContact O-N 3.08Å; K1052-Q1055 PolarHBondContact O-N 3.3Å; K1052-S1056 PolarHBondContact O-N 3.02Å |
| 1053 | H | 79.7 | Confident | 78 | Confident | 64 Ų | 64 | 46.5 Ų | 46.5 | 30% | 0.296 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59 | -48.2 | 171.1 | -67.1 | 172.8 | 0 | 0 | 0 | 111.4 | T1049 S1050 Q1055 S1056 Q1057 Y1063 E1066 | T1049-H1053 PolarHBondContact O-N 3.1Å; S1050-H1053 PolarHBondContact O-N 2.93Å; H1053-Q1055 PolarHBondContact O-N 3.39Å; H1053-S1056 PolarHBondContact O-N 3.37Å; H1053-S1056 PolarHBondContact O-OG 3.42Å; H1053-Q1057 PolarHBondContact O-N 3.24Å; H1053-Y1063 HydrophobicContact CB-CD1 3.76Å; H1053-Y1063 HydrophobicContact CB-CD2 4.3Å; H1053-Y1063 HydrophobicContact CB-CE1 4.16Å; H1053-Y1063 HydrophobicContact CB-CG 3.86Å; H1053-E1066 IonicContact ND1-OE1 2.68Å; H1053-E1066 IonicContact ND1-OE2 3.49Å; H1053-E1066 PolarHBondContact ND1-OE2 3.14Å |
| 1054 | C | 80.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 177.7 | -166.9 | 0 | 0 | 0 | 0 | 112.1 | I996 E1000 S1050 V1051 S1056 Q1057 P1058 L1067 | I996-C1054 VanDerWaalsContact CG2-SG 3.52Å; E1000-C1054 PolarHBondContact OE1-SG 3.13Å; E1000-C1054 VanDerWaalsContact OE1-SG 3.35Å; S1050-C1054 WeakPolarHBondContact O-CB 3.36Å; S1050-C1054 PolarHBondContact O-N 2.85Å; V1051-C1054 PolarHBondContact O-N 3.21Å; C1054-S1056 VanDerWaalsContact C-N 3.3Å; C1054-S1056 PolarHBondContact O-N 3.46Å; C1054-Q1057 CarbonylContact O-C 3.58Å; C1054-Q1057 PolarHBondContact O-N 3.37Å; C1054-P1058 WeakPolarHBondContact O-CA 3.18Å; C1054-L1067 HydrophobicContact CB-CD2 4.11Å |
| 1055 | Q | 76.6 | Confident | 76.9 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 28% | 0.276 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.3 | -36.4 | 174.4 | -76 | 173.1 | 1.3 | 0 | 0 | 113.4 | E1000 R1004 V1051 K1052 H1053 Q1057 | E1000-Q1055 WeakPolarHBondContact OE2-CG 3.43Å; E1000-Q1055 PolarHBondContact OE2-NE2 3.35Å; R1004-Q1055 VanDerWaalsContact NH2-NE2 3.1Å; V1051-Q1055 HydrophobicContact CG1-CG 4.47Å; V1051-Q1055 WeakPolarHBondContact O-CB 3.18Å; V1051-Q1055 WeakPolarHBondContact O-CG 3.26Å; V1051-Q1055 PolarHBondContact O-N 3.08Å; K1052-Q1055 PolarHBondContact O-N 3.3Å; H1053-Q1055 PolarHBondContact O-N 3.39Å; Q1055-Q1057 VanDerWaalsContact C-N 3.33Å |
| 1056 | S | 74.1 | Confident | 76.5 | Confident | 80 Ų | 80 | 47 Ų | 47 | 56% | 0.559 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69 | -31 | 178.6 | 79.8 | 0 | 0 | 0 | 0 | 113.1 | K1052 H1053 C1054 | K1052-S1056 PolarHBondContact O-N 3.02Å; H1053-S1056 PolarHBondContact O-N 3.37Å; H1053-S1056 PolarHBondContact O-OG 3.42Å; C1054-S1056 VanDerWaalsContact C-N 3.3Å; C1054-S1056 PolarHBondContact O-N 3.46Å |
| 1057 | Q | 72.7 | Confident | 76.5 | Confident | 97 Ų | 97 | 44.3 Ų | 44.3 | 45% | 0.453 | 23% | 0.225 | S | C | . | . | trans | -145.3 | 75.2 | -179.1 | -65.1 | -171.1 | -0.4 | 0 | 0 | 111.3 | H1053 C1054 Q1055 N1059 N1060 Y1063 | H1053-Q1057 PolarHBondContact O-N 3.24Å; C1054-Q1057 CarbonylContact O-C 3.58Å; C1054-Q1057 PolarHBondContact O-N 3.37Å; Q1055-Q1057 VanDerWaalsContact C-N 3.33Å; Q1057-N1059 PolarHBondContact O-N 2.89Å; Q1057-N1060 HydrophobicContact CB-CB 3.93Å; Q1057-N1060 WeakPolarHBondContact O-CB 3.07Å; Q1057-N1060 PolarHBondContact O-N 2.98Å; Q1057-N1060 PolarHBondContact OE1-ND2 3.14Å; Q1057-Y1063 HydrophobicContact CB-CD2 4.04Å; Q1057-Y1063 HydrophobicContact CB-CE2 4.15Å; Q1057-Y1063 HydrophobicContact CG-CE2 4.35Å | ||
| 1058 | P | 67.5 | Low | 76.1 | Confident | 48 Ų | 48 | 44.8 Ų | 44.8 | 31% | 0.312 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -8.3 | -170.4 | 25.6 | -35.9 | 0 | 0 | 0 | 114.7 | C1054 Q1064 | C1054-P1058 WeakPolarHBondContact O-CA 3.18Å; P1058-Q1064 PolarHBondContact O-NE2 3.49Å |
| 1059 | N | 68.2 | Low | 75.8 | Confident | 124 Ų | 124 | 45.5 Ų | 45.5 | 66% | 0.663 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -3.5 | 176.7 | -65.7 | -23.7 | 0 | 0 | 0 | 113.6 | Q1057 R1061 | Q1057-N1059 PolarHBondContact O-N 2.89Å; N1059-R1061 PolarHBondContact O-N 3.05Å |
| 1060 | N | 70.2 | Confident | 75.7 | Confident | 47 Ų | 47 | 45.1 Ų | 45.1 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | trans | -85.3 | 106.5 | -175.5 | -173.7 | -21.5 | 0 | 0 | 0 | 110.9 | Q1057 T1062 Y1063 Q1064 | Q1057-N1060 HydrophobicContact CB-CB 3.93Å; Q1057-N1060 WeakPolarHBondContact O-CB 3.07Å; Q1057-N1060 PolarHBondContact O-N 2.98Å; Q1057-N1060 PolarHBondContact OE1-ND2 3.14Å; N1060-T1062 PolarHBondContact O-N 3.45Å; N1060-T1062 VanDerWaalsContact O-N 3.08Å; N1060-T1062 WeakPolarHBondContact OD1-CB 3.24Å; N1060-T1062 PolarHBondContact OD1-N 3.22Å; N1060-T1062 VanDerWaalsContact OD1-N 3.1Å; N1060-T1062 PolarHBondContact OD1-OG1 3.5Å; N1060-Y1063 HydrophobicContact CB-CD2 3.82Å; N1060-Y1063 HydrophobicContact CB-CE2 4.41Å; N1060-Y1063 WeakPolarHBondContact ND2-CE2 3.46Å; N1060-Y1063 PolarHBondContact O-N 2.88Å; N1060-Y1063 VanDerWaalsContact O-N 3.13Å; N1060-Q1064 WeakPolarHBondContact O-CG 3.47Å; N1060-Q1064 PolarHBondContact O-N 3.15Å; N1060-Q1064 VanDerWaalsContact O-N 3.16Å | ||
| 1061 | R | 68.1 | Low | 75.8 | Confident | 88 Ų | 88 | 45.1 Ų | 45.1 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -53.8 | -31.3 | -177.7 | -167.6 | -179.8 | 178.5 | -170 | -2.4 | 112.6 | N1059 Q1064 L1065 F1126 G1127 D1130 | N1059-R1061 PolarHBondContact O-N 3.05Å; R1061-Q1064 PolarHBondContact O-N 2.91Å; R1061-L1065 HydrophobicContact CG-CD1 3.87Å; R1061-L1065 HydrophobicContact CG-CG 4.31Å; R1061-L1065 WeakPolarHBondContact O-CB 3.35Å; R1061-L1065 WeakPolarHBondContact O-CD1 3.38Å; R1061-L1065 VanDerWaalsContact O-CG 3.23Å; R1061-L1065 WeakPolarHBondContact O-CG 3.33Å; R1061-L1065 PolarHBondContact O-N 3.38Å; R1061-F1126 HydrophobicContact CG-CE1 4.3Å; R1061-G1127 PolarHBondContact NH2-O 3.02Å; R1061-D1130 IonicContact CZ-OD2 3.3Å; R1061-D1130 IonicContact NH1-OD2 3.7Å; R1061-D1130 PolarHBondContact NH1-OD2 3.38Å; R1061-D1130 IonicContact NH2-OD2 2.86Å; R1061-D1130 PolarHBondContact NH2-OD2 2.95Å |
| 1062 | T | 67.4 | Low | 75.7 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 33% | 0.331 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.5 | -49 | 178.9 | -52 | 0 | 0 | 0 | 0 | 111.8 | N1060 Q1064 L1065 E1066 M1137 | N1060-T1062 PolarHBondContact O-N 3.45Å; N1060-T1062 VanDerWaalsContact O-N 3.08Å; N1060-T1062 WeakPolarHBondContact OD1-CB 3.24Å; N1060-T1062 PolarHBondContact OD1-N 3.22Å; N1060-T1062 VanDerWaalsContact OD1-N 3.1Å; N1060-T1062 PolarHBondContact OD1-OG1 3.5Å; T1062-Q1064 VanDerWaalsContact C-N 3.35Å; T1062-L1065 PolarHBondContact O-N 3.38Å; T1062-E1066 WeakPolarHBondContact O-CB 3.45Å; T1062-E1066 PolarHBondContact O-N 3.21Å; T1062-M1137 HydrophobicContact CG2-CE 3.52Å |
| 1063 | Y | 76.4 | Confident | 75.6 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 26% | 0.263 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.1 | -30.7 | 177.9 | -59.3 | -41.1 | 0 | 0 | 0 | 112.6 | H1053 Q1057 N1060 E1066 L1067 | H1053-Y1063 HydrophobicContact CB-CD1 3.76Å; H1053-Y1063 HydrophobicContact CB-CD2 4.3Å; H1053-Y1063 HydrophobicContact CB-CE1 4.16Å; H1053-Y1063 HydrophobicContact CB-CG 3.86Å; Q1057-Y1063 HydrophobicContact CB-CD2 4.04Å; Q1057-Y1063 HydrophobicContact CB-CE2 4.15Å; Q1057-Y1063 HydrophobicContact CG-CE2 4.35Å; N1060-Y1063 HydrophobicContact CB-CD2 3.82Å; N1060-Y1063 HydrophobicContact CB-CE2 4.41Å; N1060-Y1063 WeakPolarHBondContact ND2-CE2 3.46Å; N1060-Y1063 PolarHBondContact O-N 2.88Å; N1060-Y1063 VanDerWaalsContact O-N 3.13Å; Y1063-E1066 WeakPolarHBondContact CD1-OE2 3.46Å; Y1063-E1066 PolarHBondContact O-N 2.98Å; Y1063-L1067 WeakPolarHBondContact O-CB 3.28Å; Y1063-L1067 PolarHBondContact O-N 3.23Å |
| 1064 | Q | 74.5 | Confident | 75.8 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 172.9 | -63.2 | 172.1 | -11.8 | 0 | 0 | 111.6 | I996 P1058 N1060 R1061 T1062 L1068 F1126 | I996-Q1064 HydrophobicContact CD1-CB 4.07Å; I996-Q1064 HydrophobicContact CD1-CG 3.58Å; P1058-Q1064 PolarHBondContact O-NE2 3.49Å; N1060-Q1064 WeakPolarHBondContact O-CG 3.47Å; N1060-Q1064 PolarHBondContact O-N 3.15Å; N1060-Q1064 VanDerWaalsContact O-N 3.16Å; R1061-Q1064 PolarHBondContact O-N 2.91Å; T1062-Q1064 VanDerWaalsContact C-N 3.35Å; Q1064-L1068 WeakPolarHBondContact O-CB 3.42Å; Q1064-L1068 PolarHBondContact O-N 3.33Å; Q1064-F1126 HydrophobicContact CB-CE1 3.93Å; Q1064-F1126 HydrophobicContact CB-CZ 3.87Å; Q1064-F1126 HydrophobicContact CG-CZ 4.44Å |
| 1065 | L | 72.8 | Confident | 75.9 | Confident | 19 Ų | 19 | 49 Ų | 49 | 10% | 0.099 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.4 | -37.9 | 176 | -72.4 | 165.7 | 0 | 0 | 0 | 112.4 | R1061 T1062 L1068 S1069 F1126 V1129 | R1061-L1065 HydrophobicContact CG-CD1 3.87Å; R1061-L1065 HydrophobicContact CG-CG 4.31Å; R1061-L1065 WeakPolarHBondContact O-CB 3.35Å; R1061-L1065 WeakPolarHBondContact O-CD1 3.38Å; R1061-L1065 VanDerWaalsContact O-CG 3.23Å; R1061-L1065 WeakPolarHBondContact O-CG 3.33Å; R1061-L1065 PolarHBondContact O-N 3.38Å; T1062-L1065 PolarHBondContact O-N 3.38Å; L1065-L1068 PolarHBondContact O-N 2.95Å; L1065-S1069 WeakPolarHBondContact O-CB 3.34Å; L1065-S1069 PolarHBondContact O-N 2.96Å; L1065-F1126 HydrophobicContact CD2-CD1 3.86Å; L1065-F1126 HydrophobicContact CG-CD1 4.3Å; L1065-V1129 HydrophobicContact CD1-CG2 3.68Å; L1065-V1129 HydrophobicContact CD2-CG2 4.12Å; L1065-V1129 HydrophobicContact CG-CG2 4.48Å |
| 1066 | E | 73.9 | Confident | 76 | Confident | 66 Ų | 66 | 50.6 Ų | 50.6 | 31% | 0.308 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.9 | -48.8 | 172 | -174.5 | -175.3 | -172.3 | 0 | 0 | 110.5 | H1053 T1062 Y1063 L1068 S1069 V1070 | H1053-E1066 IonicContact ND1-OE1 2.68Å; H1053-E1066 IonicContact ND1-OE2 3.49Å; H1053-E1066 PolarHBondContact ND1-OE2 3.14Å; T1062-E1066 WeakPolarHBondContact O-CB 3.45Å; T1062-E1066 PolarHBondContact O-N 3.21Å; Y1063-E1066 WeakPolarHBondContact CD1-OE2 3.46Å; Y1063-E1066 PolarHBondContact O-N 2.98Å; E1066-L1068 PolarHBondContact O-N 3.13Å; E1066-S1069 PolarHBondContact O-N 2.76Å; E1066-V1070 WeakPolarHBondContact O-CG2 3.25Å; E1066-V1070 PolarHBondContact O-N 2.95Å |
| 1067 | L | 82.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 174.2 | 177.2 | 61.5 | 0 | 0 | 0 | 111.4 | I996 L999 E1000 A1003 L1047 V1051 C1054 Y1063 S1069 C1071 | I996-L1067 HydrophobicContact CG2-CD2 4.42Å; L999-L1067 HydrophobicContact CD2-CD2 4.18Å; L999-L1067 HydrophobicContact CD2-CG 4.02Å; L999-L1067 HydrophobicContact CG-CD2 4.39Å; L999-L1067 HydrophobicContact CG-CG 4.41Å; E1000-L1067 HydrophobicContact CG-CD2 3.66Å; A1003-L1067 HydrophobicContact CB-CD1 4.39Å; L1047-L1067 HydrophobicContact CD1-CD1 4.27Å; V1051-L1067 HydrophobicContact CB-CD1 4.49Å; V1051-L1067 HydrophobicContact CG2-CD1 3.53Å; C1054-L1067 HydrophobicContact CB-CD2 4.11Å; Y1063-L1067 WeakPolarHBondContact O-CB 3.28Å; Y1063-L1067 PolarHBondContact O-N 3.23Å; L1067-S1069 VanDerWaalsContact C-N 3.35Å; L1067-S1069 PolarHBondContact O-N 2.92Å; L1067-C1071 VanDerWaalsContact O-CB 3.27Å; L1067-C1071 WeakPolarHBondContact O-CB 3.47Å; L1067-C1071 PolarHBondContact O-N 3.34Å; L1067-C1071 PolarHBondContact O-SG 3.31Å |
| 1068 | L | 79.4 | Confident | 76.8 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 179.3 | -179.7 | 60.2 | 0 | 0 | 0 | 112.7 | L999 Q1064 L1065 E1066 Q1072 V1119 V1122 Q1123 F1126 | L999-L1068 HydrophobicContact CD2-CB 4.45Å; L999-L1068 HydrophobicContact CD2-CD1 4.22Å; Q1064-L1068 WeakPolarHBondContact O-CB 3.42Å; Q1064-L1068 PolarHBondContact O-N 3.33Å; L1065-L1068 PolarHBondContact O-N 2.95Å; E1066-L1068 PolarHBondContact O-N 3.13Å; L1068-Q1072 WeakPolarHBondContact O-CG 3.27Å; L1068-Q1072 PolarHBondContact O-N 3.33Å; L1068-Q1072 PolarHBondContact O-NE2 3.37Å; L1068-V1119 HydrophobicContact CD1-CG1 4.18Å; L1068-V1122 HydrophobicContact CD1-CB 4.1Å; L1068-V1122 HydrophobicContact CD1-CG1 3.74Å; L1068-V1122 HydrophobicContact CD2-CG1 3.98Å; L1068-V1122 HydrophobicContact CG-CG1 4.31Å; L1068-Q1123 HydrophobicContact CD1-CG 4.27Å; L1068-F1126 HydrophobicContact CD2-CB 4.23Å; L1068-F1126 HydrophobicContact CD2-CG 4.43Å |
| 1069 | S | 76.5 | Confident | 77.4 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.4 | -51.9 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | L1065 E1066 L1067 C1071 Q1072 E1073 | L1065-S1069 WeakPolarHBondContact O-CB 3.34Å; L1065-S1069 PolarHBondContact O-N 2.96Å; E1066-S1069 PolarHBondContact O-N 2.76Å; L1067-S1069 VanDerWaalsContact C-N 3.35Å; L1067-S1069 PolarHBondContact O-N 2.92Å; S1069-C1071 VanDerWaalsContact C-N 3.27Å; S1069-C1071 PolarHBondContact O-N 3.4Å; S1069-Q1072 WeakPolarHBondContact O-CB 3.15Å; S1069-Q1072 PolarHBondContact O-N 3.05Å; S1069-E1073 PolarHBondContact O-N 3.29Å |
| 1070 | V | 82.2 | Confident | 77.9 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 10% | 0.097 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -36.1 | 177.6 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | L1047 E1066 Q1072 E1073 V1074 | L1047-V1070 HydrophobicContact CB-CG1 3.99Å; L1047-V1070 HydrophobicContact CD1-CG1 4.04Å; E1066-V1070 WeakPolarHBondContact O-CG2 3.25Å; E1066-V1070 PolarHBondContact O-N 2.95Å; V1070-Q1072 VanDerWaalsContact C-N 3.31Å; V1070-Q1072 PolarHBondContact O-N 3.2Å; V1070-E1073 PolarHBondContact O-N 3.08Å; V1070-V1074 HydrophobicContact CG1-CG2 4.31Å; V1070-V1074 WeakPolarHBondContact O-CB 3.17Å; V1070-V1074 WeakPolarHBondContact O-CG2 3.27Å; V1070-V1074 PolarHBondContact O-N 3.47Å; V1070-V1074 VanDerWaalsContact O-N 3.08Å |
| 1071 | C | 84.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.9 | -37.9 | 173.2 | -72.9 | 0 | 0 | 0 | 0 | 112.5 | L999 L1047 L1067 S1069 L1075 L1115 V1119 | L999-C1071 HydrophobicContact CD1-CB 4.1Å; L1047-C1071 VanDerWaalsContact CD1-SG 3.6Å; L1067-C1071 VanDerWaalsContact O-CB 3.27Å; L1067-C1071 WeakPolarHBondContact O-CB 3.47Å; L1067-C1071 PolarHBondContact O-N 3.34Å; L1067-C1071 PolarHBondContact O-SG 3.31Å; S1069-C1071 VanDerWaalsContact C-N 3.27Å; S1069-C1071 PolarHBondContact O-N 3.4Å; C1071-L1075 WeakPolarHBondContact O-CG 3.5Å; C1071-L1115 HydrophobicContact CB-CD1 4.13Å; C1071-V1119 HydrophobicContact CB-CG2 3.68Å |
| 1072 | Q | 80.9 | Confident | 79.3 | Confident | 79 Ų | 79 | 36.8 Ų | 36.8 | 37% | 0.369 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -69 | -45 | 176.1 | -70.9 | 168.5 | 39.4 | 0 | 0 | 111.8 | L1068 S1069 V1070 V1074 L1075 V1119 Q1123 | L1068-Q1072 WeakPolarHBondContact O-CG 3.27Å; L1068-Q1072 PolarHBondContact O-N 3.33Å; L1068-Q1072 PolarHBondContact O-NE2 3.37Å; S1069-Q1072 WeakPolarHBondContact O-CB 3.15Å; S1069-Q1072 PolarHBondContact O-N 3.05Å; V1070-Q1072 VanDerWaalsContact C-N 3.31Å; V1070-Q1072 PolarHBondContact O-N 3.2Å; Q1072-V1074 VanDerWaalsContact C-N 3.27Å; Q1072-V1074 PolarHBondContact O-N 2.97Å; Q1072-L1075 PolarHBondContact O-N 2.91Å; Q1072-V1119 HydrophobicContact CG-CG1 3.68Å; Q1072-Q1123 VanDerWaalsContact CD-NE2 3.25Å |
| 1073 | E | 79.4 | Confident | 79.6 | Confident | 108 Ų | 108 | 39 Ų | 39 | 51% | 0.505 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.9 | -37.4 | 177.8 | -69.9 | -177.2 | -175.1 | 0 | 0 | 112.6 | S1069 V1070 L1075 P1077 | S1069-E1073 PolarHBondContact O-N 3.29Å; V1070-E1073 PolarHBondContact O-N 3.08Å; E1073-L1075 VanDerWaalsContact C-N 3.32Å; E1073-L1075 PolarHBondContact O-N 3.1Å; E1073-P1077 WeakPolarHBondContact O-CD 3.45Å; E1073-P1077 WeakPolarHBondContact O-CG 3.42Å |
| 1074 | V | 84.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.2 | -25.5 | -178.8 | 167.2 | 0 | 0 | 0 | 0 | 113.4 | T1006 L1043 L1047 V1070 Q1072 C1078 L1115 | T1006-V1074 HydrophobicContact CG2-CG1 3.98Å; L1043-V1074 HydrophobicContact CB-CG2 4.01Å; L1047-V1074 HydrophobicContact CB-CG2 4.46Å; L1047-V1074 HydrophobicContact CD2-CG1 4.37Å; L1047-V1074 HydrophobicContact CD2-CG2 4.35Å; V1070-V1074 HydrophobicContact CG1-CG2 4.31Å; V1070-V1074 WeakPolarHBondContact O-CB 3.17Å; V1070-V1074 WeakPolarHBondContact O-CG2 3.27Å; V1070-V1074 PolarHBondContact O-N 3.47Å; V1070-V1074 VanDerWaalsContact O-N 3.08Å; Q1072-V1074 VanDerWaalsContact C-N 3.27Å; Q1072-V1074 PolarHBondContact O-N 2.97Å; V1074-C1078 VanDerWaalsContact CG1-SG 3.59Å; V1074-C1078 WeakPolarHBondContact O-CB 3.49Å; V1074-C1078 PolarHBondContact O-N 3.42Å; V1074-C1078 PolarHBondContact O-SG 3.15Å; V1074-L1115 HydrophobicContact CG1-CD2 4.44Å |
| 1075 | L | 81 | Confident | 80.1 | Confident | 27 Ų | 27 | 36.3 Ų | 36.3 | 14% | 0.141 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -50.1 | -171.8 | -72.1 | 176.5 | 0 | 0 | 0 | 113.7 | C1071 Q1072 E1073 S1079 L1112 L1115 R1116 | C1071-L1075 WeakPolarHBondContact O-CG 3.5Å; Q1072-L1075 PolarHBondContact O-N 2.91Å; E1073-L1075 VanDerWaalsContact C-N 3.32Å; E1073-L1075 PolarHBondContact O-N 3.1Å; L1075-S1079 WeakPolarHBondContact O-CB 3.42Å; L1075-S1079 PolarHBondContact O-N 3.48Å; L1075-S1079 VanDerWaalsContact O-N 3.16Å; L1075-S1079 PolarHBondContact O-OG 3.36Å; L1075-L1112 HydrophobicContact CD2-CD1 3.87Å; L1075-L1112 HydrophobicContact CD2-CG 4.16Å; L1075-L1115 HydrophobicContact CD2-CB 4.36Å; L1075-L1115 HydrophobicContact CD2-CD2 3.99Å; L1075-L1115 HydrophobicContact CD2-CG 4.05Å; L1075-R1116 HydrophobicContact CD1-CG 4.05Å; L1075-R1116 HydrophobicContact CD2-CG 3.56Å; L1075-R1116 HydrophobicContact CG-CG 4.4Å |
| 1076 | L | 78.2 | Confident | 80.3 | Confident | 93 Ų | 93 | 38.3 Ų | 38.3 | 49% | 0.487 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -73.3 | -45.1 | -175.1 | 179.5 | 62.5 | 0 | 0 | 0 | 112.9 | S1079 R1080 | L1076-S1079 WeakPolarHBondContact O-CB 3.48Å; L1076-S1079 PolarHBondContact O-N 3.15Å; L1076-R1080 WeakPolarHBondContact O-CG 3.31Å; L1076-R1080 PolarHBondContact O-N 3.32Å |
| 1077 | P | 82.1 | Confident | 80.1 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 13% | 0.13 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 176.5 | -25.7 | 38.4 | 0 | 0 | 0 | 113 | F1039 V1040 L1043 E1073 S1079 R1080 L1081 | F1039-P1077 HydrophobicContact CD1-CB 4Å; F1039-P1077 HydrophobicContact CD1-CG 4.36Å; F1039-P1077 HydrophobicContact CE1-CB 3.84Å; F1039-P1077 HydrophobicContact CE1-CG 3.69Å; V1040-P1077 HydrophobicContact CG2-CB 3.97Å; L1043-P1077 HydrophobicContact CD1-CB 3.95Å; L1043-P1077 HydrophobicContact CD1-CG 3.67Å; E1073-P1077 WeakPolarHBondContact O-CD 3.45Å; E1073-P1077 WeakPolarHBondContact O-CG 3.42Å; P1077-S1079 VanDerWaalsContact C-N 3.34Å; P1077-S1079 PolarHBondContact O-N 2.68Å; P1077-R1080 PolarHBondContact O-N 3.4Å; P1077-L1081 PolarHBondContact O-N 3.06Å |
| 1078 | C | 83.3 | Confident | 79.9 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -38.7 | 175 | -68.9 | 0 | 0 | 0 | 0 | 112 | V1074 R1080 L1081 I1082 L1112 | V1074-C1078 VanDerWaalsContact CG1-SG 3.59Å; V1074-C1078 WeakPolarHBondContact O-CB 3.49Å; V1074-C1078 PolarHBondContact O-N 3.42Å; V1074-C1078 PolarHBondContact O-SG 3.15Å; C1078-R1080 VanDerWaalsContact C-N 3.35Å; C1078-R1080 PolarHBondContact O-N 2.9Å; C1078-L1081 PolarHBondContact O-N 3Å; C1078-I1082 WeakPolarHBondContact O-CG1 3.38Å; C1078-I1082 PolarHBondContact O-N 3.39Å; C1078-L1112 HydrophobicContact CB-CD1 3.61Å; C1078-L1112 HydrophobicContact CB-CD2 3.87Å; C1078-L1112 HydrophobicContact CB-CG 4.41Å |
| 1079 | S | 79.5 | Confident | 79.8 | Confident | 22 Ų | 22 | 37.7 Ų | 37.7 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 174.2 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | L1075 L1076 P1077 I1082 N1083 L1112 R1116 | L1075-S1079 WeakPolarHBondContact O-CB 3.42Å; L1075-S1079 PolarHBondContact O-N 3.48Å; L1075-S1079 VanDerWaalsContact O-N 3.16Å; L1075-S1079 PolarHBondContact O-OG 3.36Å; L1076-S1079 WeakPolarHBondContact O-CB 3.48Å; L1076-S1079 PolarHBondContact O-N 3.15Å; P1077-S1079 VanDerWaalsContact C-N 3.34Å; P1077-S1079 PolarHBondContact O-N 2.68Å; S1079-I1082 PolarHBondContact O-N 3.48Å; S1079-N1083 PolarHBondContact O-N 2.98Å; S1079-L1112 WeakPolarHBondContact OG-CD2 3.47Å; S1079-R1116 PolarHBondContact OG-NH2 3.41Å |
| 1080 | R | 77.5 | Confident | 79.5 | Confident | 141 Ų | 141 | 38.2 Ų | 38.2 | 53% | 0.532 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.7 | -38.2 | 175.1 | -68.4 | 178.4 | -176.4 | 179.3 | 2.4 | 112.5 | L1076 P1077 C1078 N1083 S1084 | L1076-R1080 WeakPolarHBondContact O-CG 3.31Å; L1076-R1080 PolarHBondContact O-N 3.32Å; P1077-R1080 PolarHBondContact O-N 3.4Å; C1078-R1080 VanDerWaalsContact C-N 3.35Å; C1078-R1080 PolarHBondContact O-N 2.9Å; R1080-N1083 PolarHBondContact O-N 3.35Å; R1080-S1084 WeakPolarHBondContact O-CB 3.31Å; R1080-S1084 PolarHBondContact O-N 3.04Å; R1080-S1084 PolarHBondContact O-OG 3.38Å |
| 1081 | L | 85.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.2 | -43.7 | 175.4 | 179.9 | 62.1 | 0 | 0 | 0 | 111.7 | V1013 H1036 C1037 V1040 P1077 C1078 N1083 S1084 C1085 L1108 | V1013-L1081 HydrophobicContact CG1-CD2 3.99Å; V1013-L1081 HydrophobicContact CG1-CG 4.26Å; H1036-L1081 HydrophobicContact CB-CD1 4.05Å; C1037-L1081 HydrophobicContact CB-CD1 4.34Å; V1040-L1081 HydrophobicContact CB-CD2 4.02Å; V1040-L1081 HydrophobicContact CG1-CD2 4Å; V1040-L1081 HydrophobicContact CG2-CB 4.17Å; V1040-L1081 HydrophobicContact CG2-CD2 3.97Å; P1077-L1081 PolarHBondContact O-N 3.06Å; C1078-L1081 PolarHBondContact O-N 3Å; L1081-N1083 VanDerWaalsContact C-N 3.35Å; L1081-N1083 PolarHBondContact O-N 3.5Å; L1081-S1084 WeakPolarHBondContact O-CB 3.47Å; L1081-S1084 PolarHBondContact O-N 3.07Å; L1081-C1085 WeakPolarHBondContact O-CB 3.46Å; L1081-C1085 PolarHBondContact O-N 3.46Å; L1081-C1085 PolarHBondContact O-SG 3.21Å; L1081-L1108 HydrophobicContact CD2-CD2 4.45Å |
| 1082 | I | 83.1 | Confident | 78.9 | Confident | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.3 | -48.5 | 175.4 | -71.5 | 160.3 | 0 | 0 | 0 | 110.7 | C1078 S1079 S1084 C1085 R1086 T1105 L1108 A1109 L1112 | C1078-I1082 WeakPolarHBondContact O-CG1 3.38Å; C1078-I1082 PolarHBondContact O-N 3.39Å; S1079-I1082 PolarHBondContact O-N 3.48Å; I1082-S1084 PolarHBondContact O-N 3.11Å; I1082-C1085 PolarHBondContact O-N 3.49Å; I1082-R1086 PolarHBondContact O-N 3.4Å; I1082-T1105 HydrophobicContact CB-CG2 4.22Å; I1082-T1105 HydrophobicContact CG1-CG2 4.28Å; I1082-T1105 HydrophobicContact CG2-CG2 3.83Å; I1082-L1108 HydrophobicContact CD1-CD2 4.49Å; I1082-L1108 HydrophobicContact CD1-CG 4.14Å; I1082-L1108 HydrophobicContact CG1-CD2 4.06Å; I1082-L1108 HydrophobicContact CG1-CG 4.16Å; I1082-A1109 HydrophobicContact CD1-CB 3.94Å; I1082-A1109 HydrophobicContact CG2-CB 4.49Å; I1082-L1112 HydrophobicContact CD1-CD2 3.83Å |
| 1083 | N | 74.3 | Confident | 78.6 | Confident | 101 Ų | 101 | 43.1 Ų | 43.1 | 54% | 0.54 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.8 | -36 | 179.6 | -68.1 | -7.9 | 0 | 0 | 0 | 112.3 | S1079 R1080 L1081 S1087 | S1079-N1083 PolarHBondContact O-N 2.98Å; R1080-N1083 PolarHBondContact O-N 3.35Å; L1081-N1083 VanDerWaalsContact C-N 3.35Å; L1081-N1083 PolarHBondContact O-N 3.5Å; N1083-S1087 WeakPolarHBondContact O-CB 3.48Å; N1083-S1087 PolarHBondContact O-N 3.34Å; N1083-S1087 PolarHBondContact O-OG 3.44Å |
| 1084 | S | 78.2 | Confident | 78.4 | Confident | 22 Ų | 22 | 40.2 Ų | 40.2 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 173 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | H1036 R1080 L1081 I1082 S1087 S1088 | H1036-S1084 PolarHBondContact ND1-OG 3Å; R1080-S1084 WeakPolarHBondContact O-CB 3.31Å; R1080-S1084 PolarHBondContact O-N 3.04Å; R1080-S1084 PolarHBondContact O-OG 3.38Å; L1081-S1084 WeakPolarHBondContact O-CB 3.47Å; L1081-S1084 PolarHBondContact O-N 3.07Å; I1082-S1084 PolarHBondContact O-N 3.11Å; S1084-S1087 PolarHBondContact O-OG 3.46Å; S1084-S1088 WeakPolarHBondContact O-CB 3.36Å; S1084-S1088 PolarHBondContact O-N 3.04Å; S1084-S1088 VanDerWaalsContact O-N 3.15Å; S1084-S1088 PolarHBondContact O-OG 3.42Å |
| 1085 | C | 82.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -51.2 | 177.2 | -65.8 | 0 | 0 | 0 | 0 | 110.8 | L1081 I1082 S1087 S1088 L1089 L1101 T1105 | L1081-C1085 WeakPolarHBondContact O-CB 3.46Å; L1081-C1085 PolarHBondContact O-N 3.46Å; L1081-C1085 PolarHBondContact O-SG 3.21Å; I1082-C1085 PolarHBondContact O-N 3.49Å; C1085-S1087 PolarHBondContact O-N 3.11Å; C1085-S1088 PolarHBondContact O-N 3.2Å; C1085-S1088 VanDerWaalsContact O-N 3.09Å; C1085-S1088 PolarHBondContact O-OG 2.89Å; C1085-L1089 PolarHBondContact O-N 3.34Å; C1085-L1101 HydrophobicContact CB-CD1 4.3Å; C1085-L1101 HydrophobicContact CB-CG 4.42Å; C1085-T1105 HydrophobicContact CB-CG2 4.03Å; C1085-T1105 VanDerWaalsContact CB-OG1 3.25Å; C1085-T1105 WeakPolarHBondContact CB-OG1 3.43Å |
| 1086 | R | 76.8 | Confident | 77.3 | Confident | 61 Ų | 61 | 43.6 Ų | 43.6 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.7 | -48 | 178.2 | -78.2 | 178.4 | 167.4 | 165 | -7 | 112.7 | I1082 S1088 L1089 T1105 E1924 | I1082-R1086 PolarHBondContact O-N 3.4Å; R1086-S1088 VanDerWaalsContact C-N 3.25Å; R1086-S1088 PolarHBondContact O-N 2.76Å; R1086-L1089 PolarHBondContact O-N 2.98Å; R1086-T1105 HydrophobicContact CG-CG2 4.22Å; R1086-E1924 IonicContact CZ-OE1 2.64Å; R1086-E1924 IonicContact CZ-OE2 3.62Å; R1086-E1924 IonicContact NH2-OE1 3.49Å; R1086-E1924 PolarHBondContact NH2-OE1 3.38Å; R1086-E1924 IonicContact NH2-OE2 3.38Å; R1086-E1924 PolarHBondContact NH2-OE2 3.23Å |
| 1087 | S | 69.8 | Low | 77.1 | Confident | 32 Ų | 32 | 39.2 Ų | 39.2 | 22% | 0.224 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.2 | -20.9 | 178.7 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | N1083 S1084 C1085 | N1083-S1087 WeakPolarHBondContact O-CB 3.48Å; N1083-S1087 PolarHBondContact O-N 3.34Å; N1083-S1087 PolarHBondContact O-OG 3.44Å; S1084-S1087 PolarHBondContact O-OG 3.46Å; C1085-S1087 PolarHBondContact O-N 3.11Å |
| 1088 | S | 78.4 | Confident | 76.9 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -86.5 | -17.6 | 175.9 | 75.1 | 0 | 0 | 0 | 0 | 115.3 | S1084 C1085 R1086 P1090 T1091 | S1084-S1088 WeakPolarHBondContact O-CB 3.36Å; S1084-S1088 PolarHBondContact O-N 3.04Å; S1084-S1088 VanDerWaalsContact O-N 3.15Å; S1084-S1088 PolarHBondContact O-OG 3.42Å; C1085-S1088 PolarHBondContact O-N 3.2Å; C1085-S1088 VanDerWaalsContact O-N 3.09Å; C1085-S1088 PolarHBondContact O-OG 2.89Å; R1086-S1088 VanDerWaalsContact C-N 3.25Å; R1086-S1088 PolarHBondContact O-N 2.76Å; S1088-P1090 VanDerWaalsContact C-N 3.29Å; S1088-P1090 VanDerWaalsContact O-N 3.14Å; S1088-T1091 PolarHBondContact O-N 3.1Å; S1088-T1091 PolarHBondContact O-OG1 3.18Å |
| 1089 | L | 77.1 | Confident | 76.5 | Confident | 29 Ų | 29 | 42.1 Ų | 42.1 | 15% | 0.152 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -50.5 | -38.5 | -177.3 | -70.2 | 172.9 | 0 | 0 | 0 | 114.6 | C1085 R1086 T1091 S1098 L1101 | C1085-L1089 PolarHBondContact O-N 3.34Å; R1086-L1089 PolarHBondContact O-N 2.98Å; L1089-T1091 VanDerWaalsContact C-N 3.31Å; L1089-T1091 PolarHBondContact O-N 3.14Å; L1089-S1098 WeakPolarHBondContact CD2-O 3.44Å; L1089-S1098 PolarHBondContact O-OG 2.9Å; L1089-L1101 HydrophobicContact CD2-CB 4.14Å; L1089-L1101 HydrophobicContact CD2-CD2 4.09Å; L1089-L1101 HydrophobicContact CD2-CG 4.14Å |
| 1090 | P | 70.2 | Confident | 76.4 | Confident | 37 Ų | 37 | 41.2 Ų | 41.2 | 24% | 0.24 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -74.7 | -14 | 179.2 | -12.1 | 27.9 | 0 | 0 | 0 | 114.7 | S1088 V1832 F1833 P1836 | S1088-P1090 VanDerWaalsContact C-N 3.29Å; S1088-P1090 VanDerWaalsContact O-N 3.14Å; P1090-V1832 HydrophobicContact CB-CG1 4.37Å; P1090-F1833 HydrophobicContact CG-CD1 3.85Å; P1090-F1833 HydrophobicContact CG-CE1 3.85Å; P1090-P1836 HydrophobicContact CB-CB 4.44Å; P1090-P1836 HydrophobicContact CB-CG 3.89Å |
| 1091 | T | 75.9 | Confident | 76.7 | Confident | 15 Ų | 15 | 34.5 Ų | 34.5 | 9% | 0.092 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -89.5 | -5.5 | 180 | 72.2 | 0 | 0 | 0 | 0 | 113.4 | N1024 T1025 S1088 L1089 V1832 | N1024-T1091 WeakPolarHBondContact OD1-CB 3.33Å; N1024-T1091 PolarHBondContact OD1-OG1 3.45Å; T1025-T1091 PolarHBondContact N-O 3.23Å; T1025-T1091 VanDerWaalsContact N-O 3.17Å; T1025-T1091 PolarHBondContact OG1-O 3.44Å; S1088-T1091 PolarHBondContact O-N 3.1Å; S1088-T1091 PolarHBondContact O-OG1 3.18Å; L1089-T1091 VanDerWaalsContact C-N 3.31Å; L1089-T1091 PolarHBondContact O-N 3.14Å; T1091-V1832 HydrophobicContact CG2-CG1 3.96Å |
| 1092 | I | 78.5 | Confident | 76.5 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -95.1 | 112.5 | -178.4 | -61.3 | 163.4 | 0 | 0 | 0 | 108.9 | C1020 N1024 D1094 A1097 L1101 | C1020-I1092 HydrophobicContact CB-CD1 3.82Å; C1020-I1092 HydrophobicContact CB-CG1 4.23Å; C1020-I1092 HydrophobicContact CB-CG2 4.49Å; N1024-I1092 HydrophobicContact CB-CG1 4.45Å; I1092-D1094 PolarHBondContact O-N 3.12Å; I1092-A1097 HydrophobicContact CG2-CB 4.26Å; I1092-L1101 HydrophobicContact CD1-CD2 3.58Å |
| 1093 | K | 74.9 | Confident | 76.2 | Confident | 171 Ų | 171 | 38.6 Ų | 38.6 | 74% | 0.743 | 20% | 0.204 | S | C | * | . | trans | -76.1 | -16.8 | -175.4 | -75.7 | -176.5 | 171.1 | 174.7 | 0 | 115.5 | Y1023 T1025 | Y1023-K1093 PolarHBondContact O-N 3.41Å; T1025-K1093 HydrophobicContact CG2-CD 3.87Å; T1025-K1093 HydrophobicContact CG2-CG 4.29Å | ||
| 1094 | D | 74.1 | Confident | 76.5 | Confident | 48 Ų | 48 | 34.1 Ų | 34.1 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | trans | -93.5 | 117.7 | 177.7 | -175.2 | 71.5 | 0 | 0 | 0 | 111.1 | Y1023 I1092 S1096 A1097 S1098 | Y1023-D1094 HydrophobicContact CD1-CB 4.05Å; Y1023-D1094 HydrophobicContact CD2-CB 4.09Å; Y1023-D1094 HydrophobicContact CE1-CB 4.41Å; Y1023-D1094 HydrophobicContact CE2-CB 4.45Å; Y1023-D1094 HydrophobicContact CG-CB 3.88Å; I1092-D1094 PolarHBondContact O-N 3.12Å; D1094-S1096 VanDerWaalsContact C-N 3.33Å; D1094-S1096 PolarHBondContact O-N 3.15Å; D1094-S1096 PolarHBondContact OD1-OG 2.88Å; D1094-S1096 WeakPolarHBondContact OD2-CB 3.45Å; D1094-S1096 PolarHBondContact OD2-N 3.29Å; D1094-S1096 PolarHBondContact OD2-OG 3.09Å; D1094-A1097 HydrophobicContact CB-CB 4.07Å; D1094-A1097 PolarHBondContact O-N 3.39Å; D1094-A1097 PolarHBondContact OD2-N 3Å; D1094-S1098 WeakPolarHBondContact O-CB 3.38Å; D1094-S1098 PolarHBondContact O-N 3.3Å | ||
| 1095 | Q | 71.5 | Confident | 76.8 | Confident | 80 Ų | 80 | 33.3 Ų | 33.3 | 37% | 0.374 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.3 | -34.6 | -176 | -170.9 | 68.7 | 10.2 | 0 | 0 | 112.2 | M1099 | Q1095-M1099 VanDerWaalsContact O-CB 3.27Å; Q1095-M1099 WeakPolarHBondContact O-CB 3.26Å; Q1095-M1099 PolarHBondContact O-N 2.9Å |
| 1096 | S | 70.6 | Confident | 76.5 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.2 | -44.4 | 176.7 | 22.8 | 0 | 0 | 0 | 0 | 112.3 | D1094 M1099 Q1100 | D1094-S1096 VanDerWaalsContact C-N 3.33Å; D1094-S1096 PolarHBondContact O-N 3.15Å; D1094-S1096 PolarHBondContact OD1-OG 2.88Å; D1094-S1096 WeakPolarHBondContact OD2-CB 3.45Å; D1094-S1096 PolarHBondContact OD2-N 3.29Å; D1094-S1096 PolarHBondContact OD2-OG 3.09Å; S1096-M1099 PolarHBondContact O-N 3.49Å; S1096-Q1100 WeakPolarHBondContact O-CB 3.45Å; S1096-Q1100 PolarHBondContact O-N 2.81Å |
| 1097 | A | 75.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1019 C1020 Y1023 I1092 D1094 Q1100 L1101 | V1019-A1097 HydrophobicContact CG1-CB 4.17Å; C1020-A1097 PolarHBondContact SG-O 3.04Å; Y1023-A1097 HydrophobicContact CD2-CB 4.21Å; I1092-A1097 HydrophobicContact CG2-CB 4.26Å; D1094-A1097 HydrophobicContact CB-CB 4.07Å; D1094-A1097 PolarHBondContact O-N 3.39Å; D1094-A1097 PolarHBondContact OD2-N 3Å; A1097-Q1100 PolarHBondContact O-N 3.35Å; A1097-L1101 PolarHBondContact O-N 2.87Å |
| 1098 | S | 77.2 | Confident | 77.4 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 175.7 | -169.8 | 0 | 0 | 0 | 0 | 112 | L1089 D1094 Q1100 L1101 S1102 | L1089-S1098 WeakPolarHBondContact CD2-O 3.44Å; L1089-S1098 PolarHBondContact O-OG 2.9Å; D1094-S1098 WeakPolarHBondContact O-CB 3.38Å; D1094-S1098 PolarHBondContact O-N 3.3Å; S1098-Q1100 PolarHBondContact O-N 2.9Å; S1098-L1101 PolarHBondContact O-N 2.95Å; S1098-S1102 WeakPolarHBondContact O-CB 3.29Å; S1098-S1102 PolarHBondContact O-N 3.36Å |
| 1099 | M | 76 | Confident | 77.5 | Confident | 67 Ų | 67 | 35.9 Ų | 35.9 | 33% | 0.33 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.3 | -38.6 | 174.9 | -170.7 | -179.6 | -169.6 | 0 | 0 | 112.5 | A658 A661 Q1095 S1096 T1103 | A658-M1099 HydrophobicContact CB-CE 4.13Å; A661-M1099 HydrophobicContact CB-CB 4.42Å; A661-M1099 HydrophobicContact CB-CG 4.28Å; A661-M1099 HydrophobicContact CB-SD 3.95Å; Q1095-M1099 VanDerWaalsContact O-CB 3.27Å; Q1095-M1099 WeakPolarHBondContact O-CB 3.26Å; Q1095-M1099 PolarHBondContact O-N 2.9Å; S1096-M1099 PolarHBondContact O-N 3.49Å; M1099-T1103 WeakPolarHBondContact O-CB 3.47Å; M1099-T1103 PolarHBondContact O-N 3.41Å; M1099-T1103 PolarHBondContact O-OG1 3.13Å |
| 1100 | Q | 77.3 | Confident | 77.4 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -50.5 | 174.2 | -176.3 | 178.4 | -6.7 | 0 | 0 | 111.1 | S664 S668 A1016 S1096 A1097 S1098 S1102 T1103 S1104 | S664-Q1100 VanDerWaalsContact CB-OE1 3.29Å; S664-Q1100 PolarHBondContact OG-OE1 2.99Å; S668-Q1100 PolarHBondContact OG-NE2 2.87Å; A1016-Q1100 HydrophobicContact CB-CG 4.21Å; S1096-Q1100 WeakPolarHBondContact O-CB 3.45Å; S1096-Q1100 PolarHBondContact O-N 2.81Å; A1097-Q1100 PolarHBondContact O-N 3.35Å; S1098-Q1100 PolarHBondContact O-N 2.9Å; Q1100-S1102 PolarHBondContact O-N 3.5Å; Q1100-T1103 PolarHBondContact O-N 3.27Å; Q1100-S1104 PolarHBondContact O-N 3.3Å; Q1100-S1104 PolarHBondContact O-OG 3.31Å |
| 1101 | L | 84.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 178.2 | -177.5 | 61.8 | 0 | 0 | 0 | 111.5 | V1013 A1016 V1017 C1085 L1089 I1092 A1097 S1098 T1103 S1104 T1105 | V1013-L1101 HydrophobicContact CG1-CD1 4.44Å; A1016-L1101 HydrophobicContact CB-CB 4.3Å; A1016-L1101 HydrophobicContact CB-CD1 3.93Å; V1017-L1101 HydrophobicContact CG2-CD1 3.86Å; C1085-L1101 HydrophobicContact CB-CD1 4.3Å; C1085-L1101 HydrophobicContact CB-CG 4.42Å; L1089-L1101 HydrophobicContact CD2-CB 4.14Å; L1089-L1101 HydrophobicContact CD2-CD2 4.09Å; L1089-L1101 HydrophobicContact CD2-CG 4.14Å; I1092-L1101 HydrophobicContact CD1-CD2 3.58Å; A1097-L1101 PolarHBondContact O-N 2.87Å; S1098-L1101 PolarHBondContact O-N 2.95Å; L1101-T1103 PolarHBondContact O-N 3.29Å; L1101-S1104 PolarHBondContact O-N 2.98Å; L1101-T1105 WeakPolarHBondContact O-CB 3.43Å; L1101-T1105 PolarHBondContact O-N 2.98Å; L1101-T1105 PolarHBondContact O-OG1 3.44Å |
| 1102 | S | 80.7 | Confident | 78.2 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 20% | 0.203 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.8 | -46.9 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 112 | S1098 Q1100 T1105 K1106 | S1098-S1102 WeakPolarHBondContact O-CB 3.29Å; S1098-S1102 PolarHBondContact O-N 3.36Å; Q1100-S1102 PolarHBondContact O-N 3.5Å; S1102-T1105 PolarHBondContact O-N 3.44Å; S1102-K1106 WeakPolarHBondContact O-CG 3.38Å; S1102-K1106 PolarHBondContact O-N 2.83Å |
| 1103 | T | 76.8 | Confident | 77.8 | Confident | 68 Ų | 68 | 36.5 Ų | 36.5 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 179.7 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | M1099 Q1100 L1101 T1105 K1106 M1107 | M1099-T1103 WeakPolarHBondContact O-CB 3.47Å; M1099-T1103 PolarHBondContact O-N 3.41Å; M1099-T1103 PolarHBondContact O-OG1 3.13Å; Q1100-T1103 PolarHBondContact O-N 3.27Å; L1101-T1103 PolarHBondContact O-N 3.29Å; T1103-T1105 VanDerWaalsContact C-N 3.33Å; T1103-T1105 PolarHBondContact O-N 3.37Å; T1103-K1106 PolarHBondContact O-N 2.98Å; T1103-M1107 WeakPolarHBondContact O-CG 3.34Å; T1103-M1107 PolarHBondContact O-N 2.73Å |
| 1104 | S | 80.8 | Confident | 77.6 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.9 | -37.3 | 176.8 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | V1013 Q1100 L1101 M1107 L1108 | V1013-S1104 VanDerWaalsContact CG2-C 3.47Å; V1013-S1104 WeakPolarHBondContact CG2-O 3.35Å; Q1100-S1104 PolarHBondContact O-N 3.3Å; Q1100-S1104 PolarHBondContact O-OG 3.31Å; L1101-S1104 PolarHBondContact O-N 2.98Å; S1104-M1107 PolarHBondContact O-N 3.05Å; S1104-L1108 PolarHBondContact O-N 3.01Å |
| 1105 | T | 83.7 | Confident | 78 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.5 | -39.6 | 175.2 | -64.1 | 0 | 0 | 0 | 0 | 112 | I1082 C1085 R1086 L1101 S1102 T1103 L1108 A1109 | I1082-T1105 HydrophobicContact CB-CG2 4.22Å; I1082-T1105 HydrophobicContact CG1-CG2 4.28Å; I1082-T1105 HydrophobicContact CG2-CG2 3.83Å; C1085-T1105 HydrophobicContact CB-CG2 4.03Å; C1085-T1105 VanDerWaalsContact CB-OG1 3.25Å; C1085-T1105 WeakPolarHBondContact CB-OG1 3.43Å; R1086-T1105 HydrophobicContact CG-CG2 4.22Å; L1101-T1105 WeakPolarHBondContact O-CB 3.43Å; L1101-T1105 PolarHBondContact O-N 2.98Å; L1101-T1105 PolarHBondContact O-OG1 3.44Å; S1102-T1105 PolarHBondContact O-N 3.44Å; T1103-T1105 VanDerWaalsContact C-N 3.33Å; T1103-T1105 PolarHBondContact O-N 3.37Å; T1105-L1108 PolarHBondContact O-N 2.84Å; T1105-A1109 WeakPolarHBondContact O-CB 3.43Å; T1105-A1109 PolarHBondContact O-N 3.19Å |
| 1106 | K | 77.3 | Confident | 78.2 | Confident | 48 Ų | 48 | 29 Ų | 29 | 21% | 0.209 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 171.7 | -73.9 | -177.9 | -177.7 | -179 | 0 | 110.8 | S1102 T1103 L1108 A1109 E1110 E1796 | S1102-K1106 WeakPolarHBondContact O-CG 3.38Å; S1102-K1106 PolarHBondContact O-N 2.83Å; T1103-K1106 PolarHBondContact O-N 2.98Å; K1106-L1108 PolarHBondContact O-N 3.37Å; K1106-A1109 WeakPolarHBondContact O-CB 3.32Å; K1106-A1109 PolarHBondContact O-N 3.45Å; K1106-A1109 VanDerWaalsContact O-N 3.13Å; K1106-E1110 WeakPolarHBondContact O-CG 3.37Å; K1106-E1110 PolarHBondContact O-N 2.8Å; K1106-E1796 IonicContact NZ-OE1 3.09Å; K1106-E1796 PolarHBondContact NZ-OE1 2.91Å; K1106-E1796 IonicContact NZ-OE2 2.66Å; K1106-E1796 PolarHBondContact NZ-OE2 3.4Å |
| 1107 | M | 80.3 | Confident | 78.1 | Confident | 83 Ų | 83 | 30 Ų | 30 | 41% | 0.409 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -57.9 | -45.6 | 176.6 | -69.1 | 179.4 | 73.4 | 0 | 0 | 113.1 | A817 T1103 S1104 A1109 E1110 A1111 | A817-M1107 HydrophobicContact CB-CE 4.12Å; T1103-M1107 WeakPolarHBondContact O-CG 3.34Å; T1103-M1107 PolarHBondContact O-N 2.73Å; S1104-M1107 PolarHBondContact O-N 3.05Å; M1107-A1109 VanDerWaalsContact C-N 3.31Å; M1107-A1109 PolarHBondContact O-N 2.82Å; M1107-E1110 PolarHBondContact O-N 2.98Å; M1107-A1111 PolarHBondContact O-N 3.48Å; M1107-A1111 VanDerWaalsContact O-N 3.11Å |
| 1108 | L | 85.6 | Confident | 77.9 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -38.1 | 176.2 | 178.3 | 58.5 | 0 | 0 | 0 | 111.7 | T1006 A1010 V1013 L1081 I1082 S1104 T1105 K1106 L1112 | T1006-L1108 HydrophobicContact CG2-CD1 4.06Å; A1010-L1108 HydrophobicContact CB-CD1 4.12Å; V1013-L1108 HydrophobicContact CB-CD2 4.43Å; V1013-L1108 HydrophobicContact CG2-CB 4.04Å; V1013-L1108 HydrophobicContact CG2-CD2 3.97Å; L1081-L1108 HydrophobicContact CD2-CD2 4.45Å; I1082-L1108 HydrophobicContact CD1-CD2 4.49Å; I1082-L1108 HydrophobicContact CD1-CG 4.14Å; I1082-L1108 HydrophobicContact CG1-CD2 4.06Å; I1082-L1108 HydrophobicContact CG1-CG 4.16Å; S1104-L1108 PolarHBondContact O-N 3.01Å; T1105-L1108 PolarHBondContact O-N 2.84Å; K1106-L1108 PolarHBondContact O-N 3.37Å; L1108-L1112 VanDerWaalsContact O-CB 3.22Å; L1108-L1112 WeakPolarHBondContact O-CB 3.43Å; L1108-L1112 PolarHBondContact O-N 3.17Å |
| 1109 | A | 80.2 | Confident | 77.8 | Confident | 18 Ų | 18 | 30 Ų | 30 | 15% | 0.149 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.8 | -35.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | I1082 T1105 K1106 M1107 S1113 | I1082-A1109 HydrophobicContact CD1-CB 3.94Å; I1082-A1109 HydrophobicContact CG2-CB 4.49Å; T1105-A1109 WeakPolarHBondContact O-CB 3.43Å; T1105-A1109 PolarHBondContact O-N 3.19Å; K1106-A1109 WeakPolarHBondContact O-CB 3.32Å; K1106-A1109 PolarHBondContact O-N 3.45Å; K1106-A1109 VanDerWaalsContact O-N 3.13Å; M1107-A1109 VanDerWaalsContact C-N 3.31Å; M1107-A1109 PolarHBondContact O-N 2.82Å; A1109-S1113 PolarHBondContact O-N 2.96Å |
| 1110 | E | 73.5 | Confident | 77.3 | Confident | 61 Ų | 61 | 28.7 Ų | 28.7 | 29% | 0.285 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.4 | -56.3 | 173.4 | -45.6 | -122.7 | 148.6 | 0 | 0 | 109.9 | K1106 M1107 L1112 S1113 E1114 R1927 K2026 | K1106-E1110 WeakPolarHBondContact O-CG 3.37Å; K1106-E1110 PolarHBondContact O-N 2.8Å; M1107-E1110 PolarHBondContact O-N 2.98Å; E1110-L1112 VanDerWaalsContact C-N 3.3Å; E1110-L1112 PolarHBondContact O-N 2.85Å; E1110-S1113 WeakPolarHBondContact O-CB 3.18Å; E1110-S1113 PolarHBondContact O-N 3.41Å; E1110-S1113 PolarHBondContact O-OG 3.05Å; E1110-E1114 PolarHBondContact O-N 3.3Å; E1110-E1114 VanDerWaalsContact O-N 3.1Å; E1110-R1927 IonicContact OE1-CZ 2.75Å; E1110-R1927 IonicContact OE1-NH1 3.94Å; E1110-R1927 PolarHBondContact OE1-NH1 2.72Å; E1110-R1927 IonicContact OE1-NH2 3.92Å; E1110-R1927 PolarHBondContact OE1-NH2 3.37Å; E1110-R1927 IonicContact OE2-CZ 3.45Å; E1110-R1927 IonicContact OE2-NH1 3.76Å; E1110-R1927 IonicContact OE2-NH2 3.71Å; E1110-R1927 PolarHBondContact OE2-NH2 2.94Å; E1110-K2026 IonicContact OE2-NZ 2.8Å |
| 1111 | A | 80.4 | Confident | 76.7 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.3 | -38.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1005 T1006 M1107 S1113 E1114 L1115 | Q1005-A1111 HydrophobicContact CB-CB 3.81Å; T1006-A1111 PolarHBondContact OG1-O 2.95Å; M1107-A1111 PolarHBondContact O-N 3.48Å; M1107-A1111 VanDerWaalsContact O-N 3.11Å; A1111-S1113 VanDerWaalsContact C-N 3.31Å; A1111-S1113 PolarHBondContact O-N 2.95Å; A1111-E1114 PolarHBondContact O-N 3.35Å; A1111-L1115 WeakPolarHBondContact O-CB 3.43Å; A1111-L1115 PolarHBondContact O-N 2.96Å |
| 1112 | L | 82.6 | Confident | 75.9 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.6 | -32.9 | 176.7 | -159.5 | 72.9 | 0 | 0 | 0 | 112.3 | T1006 L1075 C1078 S1079 I1082 L1108 E1110 L1115 R1116 | T1006-L1112 HydrophobicContact CG2-CD1 4Å; L1075-L1112 HydrophobicContact CD2-CD1 3.87Å; L1075-L1112 HydrophobicContact CD2-CG 4.16Å; C1078-L1112 HydrophobicContact CB-CD1 3.61Å; C1078-L1112 HydrophobicContact CB-CD2 3.87Å; C1078-L1112 HydrophobicContact CB-CG 4.41Å; S1079-L1112 WeakPolarHBondContact OG-CD2 3.47Å; I1082-L1112 HydrophobicContact CD1-CD2 3.83Å; L1108-L1112 VanDerWaalsContact O-CB 3.22Å; L1108-L1112 WeakPolarHBondContact O-CB 3.43Å; L1108-L1112 PolarHBondContact O-N 3.17Å; E1110-L1112 VanDerWaalsContact C-N 3.3Å; E1110-L1112 PolarHBondContact O-N 2.85Å; L1112-L1115 HydrophobicContact CD1-CD2 4.42Å; L1112-L1115 PolarHBondContact O-N 3.43Å; L1112-R1116 WeakPolarHBondContact O-CG 3.18Å; L1112-R1116 PolarHBondContact O-N 3.13Å |
| 1113 | S | 70.5 | Confident | 75.3 | Confident | 35 Ų | 35 | 35.9 Ų | 35.9 | 25% | 0.245 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.1 | -40 | 175.6 | 71.6 | 0 | 0 | 0 | 0 | 112.1 | A1109 E1110 A1111 L1115 R1116 V1117 | A1109-S1113 PolarHBondContact O-N 2.96Å; E1110-S1113 WeakPolarHBondContact O-CB 3.18Å; E1110-S1113 PolarHBondContact O-N 3.41Å; E1110-S1113 PolarHBondContact O-OG 3.05Å; A1111-S1113 VanDerWaalsContact C-N 3.31Å; A1111-S1113 PolarHBondContact O-N 2.95Å; S1113-L1115 VanDerWaalsContact C-N 3.35Å; S1113-R1116 PolarHBondContact O-N 2.93Å; S1113-V1117 PolarHBondContact O-N 2.94Å |
| 1114 | E | 71.4 | Confident | 74.6 | Confident | 87 Ų | 87 | 37 Ų | 37 | 41% | 0.407 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 171 | -68.1 | -179 | -165.7 | 0 | 0 | 111.3 | A1002 Q1005 E1110 A1111 R1116 V1117 A1118 | A1002-E1114 HydrophobicContact CB-CB 4.43Å; Q1005-E1114 PolarHBondContact NE2-OE2 2.97Å; E1110-E1114 PolarHBondContact O-N 3.3Å; E1110-E1114 VanDerWaalsContact O-N 3.1Å; A1111-E1114 PolarHBondContact O-N 3.35Å; E1114-R1116 PolarHBondContact O-N 3.38Å; E1114-V1117 PolarHBondContact O-N 3.08Å; E1114-A1118 WeakPolarHBondContact O-CB 3.12Å; E1114-A1118 PolarHBondContact O-N 3.39Å |
| 1115 | L | 82.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 176.8 | -175.2 | 62.4 | 0 | 0 | 0 | 112.2 | L999 A1002 A1003 T1006 C1071 V1074 L1075 A1111 L1112 S1113 A1118 V1119 | L999-L1115 HydrophobicContact CD1-CD1 3.75Å; A1002-L1115 HydrophobicContact CB-CB 4.13Å; A1002-L1115 HydrophobicContact CB-CD1 3.99Å; A1003-L1115 HydrophobicContact CB-CD1 4.49Å; T1006-L1115 HydrophobicContact CG2-CD2 4.03Å; C1071-L1115 HydrophobicContact CB-CD1 4.13Å; V1074-L1115 HydrophobicContact CG1-CD2 4.44Å; L1075-L1115 HydrophobicContact CD2-CB 4.36Å; L1075-L1115 HydrophobicContact CD2-CD2 3.99Å; L1075-L1115 HydrophobicContact CD2-CG 4.05Å; A1111-L1115 WeakPolarHBondContact O-CB 3.43Å; A1111-L1115 PolarHBondContact O-N 2.96Å; L1112-L1115 HydrophobicContact CD1-CD2 4.42Å; L1112-L1115 PolarHBondContact O-N 3.43Å; S1113-L1115 VanDerWaalsContact C-N 3.35Å; L1115-A1118 PolarHBondContact O-N 2.94Å; L1115-V1119 HydrophobicContact CD1-CG2 4.16Å; L1115-V1119 HydrophobicContact CG-CG2 4.3Å; L1115-V1119 WeakPolarHBondContact O-CB 3.44Å; L1115-V1119 VanDerWaalsContact O-CG2 3.25Å; L1115-V1119 WeakPolarHBondContact O-CG2 3.46Å; L1115-V1119 PolarHBondContact O-N 3.49Å |
| 1116 | R | 75.5 | Confident | 72.4 | Confident | 56 Ų | 56 | 41.3 Ų | 41.3 | 21% | 0.211 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.2 | -50.5 | 174 | -74.6 | -176.6 | -173.7 | -130.7 | 2.9 | 111.5 | L1075 S1079 L1112 S1113 E1114 A1118 V1119 T1120 D1934 | L1075-R1116 HydrophobicContact CD1-CG 4.05Å; L1075-R1116 HydrophobicContact CD2-CG 3.56Å; L1075-R1116 HydrophobicContact CG-CG 4.4Å; S1079-R1116 PolarHBondContact OG-NH2 3.41Å; L1112-R1116 WeakPolarHBondContact O-CG 3.18Å; L1112-R1116 PolarHBondContact O-N 3.13Å; S1113-R1116 PolarHBondContact O-N 2.93Å; E1114-R1116 PolarHBondContact O-N 3.38Å; R1116-A1118 VanDerWaalsContact C-N 3.33Å; R1116-A1118 PolarHBondContact O-N 2.85Å; R1116-V1119 PolarHBondContact O-N 3.13Å; R1116-T1120 PolarHBondContact O-N 3.28Å; R1116-T1120 PolarHBondContact O-OG1 3.19Å; R1116-T1120 VanDerWaalsContact O-OG1 3.13Å; R1116-D1934 IonicContact CZ-OD2 2.74Å; R1116-D1934 IonicContact NH1-OD2 2.93Å; R1116-D1934 PolarHBondContact NH1-OD2 3.32Å |
| 1117 | V | 67.6 | Low | 71.3 | Confident | 38 Ų | 38 | 41.6 Ų | 41.6 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | 179.6 | 176.6 | 0 | 0 | 0 | 0 | 111 | S1113 E1114 K1121 T2019 | S1113-V1117 PolarHBondContact O-N 2.94Å; E1114-V1117 PolarHBondContact O-N 3.08Å; V1117-K1121 HydrophobicContact CG1-CD 4.15Å; V1117-K1121 WeakPolarHBondContact O-CB 3.36Å; V1117-K1121 WeakPolarHBondContact O-CG 3.35Å; V1117-K1121 PolarHBondContact O-N 3.35Å; V1117-T2019 HydrophobicContact CG2-CG2 4.31Å |
| 1118 | A | 71.5 | Confident | 69.9 | Low | 12 Ų | 12 | 39.2 Ų | 39.2 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L999 A1002 E1114 L1115 R1116 K1121 V1122 | L999-A1118 HydrophobicContact CB-CB 4.46Å; L999-A1118 HydrophobicContact CD1-CB 4.06Å; A1002-A1118 HydrophobicContact CB-CB 4.21Å; E1114-A1118 WeakPolarHBondContact O-CB 3.12Å; E1114-A1118 PolarHBondContact O-N 3.39Å; L1115-A1118 PolarHBondContact O-N 2.94Å; R1116-A1118 VanDerWaalsContact C-N 3.33Å; R1116-A1118 PolarHBondContact O-N 2.85Å; A1118-K1121 PolarHBondContact O-N 3.12Å; A1118-V1122 WeakPolarHBondContact O-CB 3.24Å; A1118-V1122 VanDerWaalsContact O-CG2 3.32Å; A1118-V1122 WeakPolarHBondContact O-CG2 3.43Å; A1118-V1122 PolarHBondContact O-N 2.67Å |
| 1119 | V | 75.7 | Confident | 68.4 | Low | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 176.2 | 166.7 | 0 | 0 | 0 | 0 | 111 | L999 L1068 C1071 Q1072 L1115 R1116 K1121 V1122 Q1123 | L999-V1119 HydrophobicContact CD1-CG2 3.59Å; L1068-V1119 HydrophobicContact CD1-CG1 4.18Å; C1071-V1119 HydrophobicContact CB-CG2 3.68Å; Q1072-V1119 HydrophobicContact CG-CG1 3.68Å; L1115-V1119 HydrophobicContact CD1-CG2 4.16Å; L1115-V1119 HydrophobicContact CG-CG2 4.3Å; L1115-V1119 WeakPolarHBondContact O-CB 3.44Å; L1115-V1119 VanDerWaalsContact O-CG2 3.25Å; L1115-V1119 WeakPolarHBondContact O-CG2 3.46Å; L1115-V1119 PolarHBondContact O-N 3.49Å; R1116-V1119 PolarHBondContact O-N 3.13Å; V1119-K1121 PolarHBondContact O-N 2.94Å; V1119-V1122 PolarHBondContact O-N 3.31Å; V1119-Q1123 HydrophobicContact CG1-CG 4.29Å; V1119-Q1123 WeakPolarHBondContact O-CB 3.41Å; V1119-Q1123 VanDerWaalsContact O-CG 3.32Å; V1119-Q1123 WeakPolarHBondContact O-CG 3.48Å; V1119-Q1123 PolarHBondContact O-N 3.5Å |
| 1120 | T | 65.6 | Low | 67.6 | Low | 38 Ų | 38 | 42.3 Ų | 42.3 | 23% | 0.233 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.5 | -36.9 | 179.5 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | R1116 S1124 | R1116-T1120 PolarHBondContact O-N 3.28Å; R1116-T1120 PolarHBondContact O-OG1 3.19Å; R1116-T1120 VanDerWaalsContact O-OG1 3.13Å; T1120-S1124 PolarHBondContact O-N 3.21Å |
| 1121 | K | 63.4 | Low | 67.6 | Low | 100 Ų | 100 | 40 Ų | 40 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66 | -42.3 | 172.3 | -74.6 | 180 | 178.5 | -173.8 | 0 | 112 | V1117 A1118 V1119 S1124 H1125 | V1117-K1121 HydrophobicContact CG1-CD 4.15Å; V1117-K1121 WeakPolarHBondContact O-CB 3.36Å; V1117-K1121 WeakPolarHBondContact O-CG 3.35Å; V1117-K1121 PolarHBondContact O-N 3.35Å; A1118-K1121 PolarHBondContact O-N 3.12Å; V1119-K1121 PolarHBondContact O-N 2.94Å; K1121-S1124 PolarHBondContact O-N 2.93Å; K1121-S1124 PolarHBondContact O-OG 3.47Å; K1121-H1125 PolarHBondContact O-CD2 3.15Å |
| 1122 | V | 69 | Low | 67.1 | Low | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | A995 L999 L1068 A1118 V1119 S1124 H1125 F1126 | A995-V1122 HydrophobicContact CB-CG2 3.94Å; A995-V1122 VanDerWaalsContact O-CG2 3.3Å; A995-V1122 WeakPolarHBondContact O-CG2 3.36Å; L999-V1122 HydrophobicContact CB-CG2 4.03Å; L999-V1122 HydrophobicContact CD2-CB 4.43Å; L999-V1122 HydrophobicContact CD2-CG1 4.23Å; L999-V1122 HydrophobicContact CD2-CG2 4.15Å; L1068-V1122 HydrophobicContact CD1-CB 4.1Å; L1068-V1122 HydrophobicContact CD1-CG1 3.74Å; L1068-V1122 HydrophobicContact CD2-CG1 3.98Å; L1068-V1122 HydrophobicContact CG-CG1 4.31Å; A1118-V1122 WeakPolarHBondContact O-CB 3.24Å; A1118-V1122 VanDerWaalsContact O-CG2 3.32Å; A1118-V1122 WeakPolarHBondContact O-CG2 3.43Å; A1118-V1122 PolarHBondContact O-N 2.67Å; V1119-V1122 PolarHBondContact O-N 3.31Å; V1122-S1124 PolarHBondContact O-N 3.34Å; V1122-H1125 PolarHBondContact O-N 3.21Å; V1122-F1126 HydrophobicContact CG1-CD2 3.45Å; V1122-F1126 VanDerWaalsContact CG1-CD2 3.45Å; V1122-F1126 HydrophobicContact CG1-CE2 3.67Å; V1122-F1126 HydrophobicContact CG1-CG 4.43Å; V1122-F1126 WeakPolarHBondContact O-CD2 3.26Å; V1122-F1126 PolarHBondContact O-N 3.09Å |
| 1123 | Q | 67.8 | Low | 66.6 | Low | 82 Ų | 82 | 45.4 Ų | 45.4 | 38% | 0.383 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.7 | -31.5 | 177.1 | -79.8 | 178.3 | -17.7 | 0 | 0 | 113.7 | L1068 Q1072 V1119 | L1068-Q1123 HydrophobicContact CD1-CG 4.27Å; Q1072-Q1123 VanDerWaalsContact CD-NE2 3.25Å; V1119-Q1123 HydrophobicContact CG1-CG 4.29Å; V1119-Q1123 WeakPolarHBondContact O-CB 3.41Å; V1119-Q1123 VanDerWaalsContact O-CG 3.32Å; V1119-Q1123 WeakPolarHBondContact O-CG 3.48Å; V1119-Q1123 PolarHBondContact O-N 3.5Å |
| 1124 | S | 61.7 | Low | 66.7 | Low | 93 Ų | 93 | 43.9 Ų | 43.9 | 65% | 0.65 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -75.6 | -24.5 | 177.2 | 71.9 | 0 | 0 | 0 | 0 | 113.3 | T1120 K1121 V1122 | T1120-S1124 PolarHBondContact O-N 3.21Å; K1121-S1124 PolarHBondContact O-N 2.93Å; K1121-S1124 PolarHBondContact O-OG 3.47Å; V1122-S1124 PolarHBondContact O-N 3.34Å |
| 1125 | H | 59.9 | Low | 67.2 | Low | 82 Ų | 82 | 40.1 Ų | 40.1 | 38% | 0.38 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -85.5 | -31.5 | 175.5 | -60 | -52.1 | 0 | 0 | 0 | 113.1 | K1121 V1122 G1127 | K1121-H1125 PolarHBondContact O-CD2 3.15Å; V1122-H1125 PolarHBondContact O-N 3.21Å; H1125-G1127 PolarHBondContact O-N 3.32Å |
| 1126 | F | 58.9 | Low | 67 | Low | 20 Ų | 20 | 46.8 Ų | 46.8 | 9% | 0.088 | 27% | 0.266 | C | S | . | . | trans | -90.5 | 86.4 | 179.5 | -77.7 | -97.5 | 0 | 0 | 0 | 111 | I996 R1061 Q1064 L1065 L1068 V1122 G1128 | I996-F1126 HydrophobicContact CD1-CE2 3.9Å; I996-F1126 HydrophobicContact CD1-CZ 3.57Å; I996-F1126 HydrophobicContact CG1-CE2 4.05Å; I996-F1126 HydrophobicContact CG1-CZ 4.17Å; R1061-F1126 HydrophobicContact CG-CE1 4.3Å; Q1064-F1126 HydrophobicContact CB-CE1 3.93Å; Q1064-F1126 HydrophobicContact CB-CZ 3.87Å; Q1064-F1126 HydrophobicContact CG-CZ 4.44Å; L1065-F1126 HydrophobicContact CD2-CD1 3.86Å; L1065-F1126 HydrophobicContact CG-CD1 4.3Å; L1068-F1126 HydrophobicContact CD2-CB 4.23Å; L1068-F1126 HydrophobicContact CD2-CG 4.43Å; V1122-F1126 HydrophobicContact CG1-CD2 3.45Å; V1122-F1126 VanDerWaalsContact CG1-CD2 3.45Å; V1122-F1126 HydrophobicContact CG1-CE2 3.67Å; V1122-F1126 HydrophobicContact CG1-CG 4.43Å; V1122-F1126 WeakPolarHBondContact O-CD2 3.26Å; V1122-F1126 PolarHBondContact O-N 3.09Å; F1126-G1128 PolarHBondContact O-N 3.14Å | ||
| 1127 | G | 52.7 | Low | 67.1 | Low | 53 Ų | 53 | 46.1 Ų | 46.1 | 55% | 0.546 | 27% | 0.266 | S | S | . | . | trans | -49.9 | 131.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110 | R1061 H1125 | R1061-G1127 PolarHBondContact NH2-O 3.02Å; H1125-G1127 PolarHBondContact O-N 3.32Å | ||
| 1128 | G | 52.4 | Low | 67.8 | Low | 34 Ų | 34 | 44.4 Ų | 44.4 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | trans | -55.2 | 156.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1126 D1130 N1199 | F1126-G1128 PolarHBondContact O-N 3.14Å; G1128-D1130 PolarHBondContact O-N 2.84Å; G1128-D1130 VanDerWaalsContact O-N 3.11Å; G1128-N1199 PolarHBondContact O-ND2 3.09Å; G1128-N1199 VanDerWaalsContact O-ND2 3.11Å | ||
| 1129 | V | 53.7 | Low | 68.4 | Low | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | trans | -54.7 | 113 | -171.5 | -173.8 | 0 | 0 | 0 | 0 | 112 | L1065 L1131 N1199 Q1203 | L1065-V1129 HydrophobicContact CD1-CG2 3.68Å; L1065-V1129 HydrophobicContact CD2-CG2 4.12Å; L1065-V1129 HydrophobicContact CG-CG2 4.48Å; V1129-L1131 PolarHBondContact O-N 3.31Å; V1129-N1199 WeakPolarHBondContact O-CA 3.39Å; V1129-N1199 WeakPolarHBondContact O-CB 3.46Å; V1129-N1199 PolarHBondContact O-ND2 3.38Å; V1129-N1199 PolarHBondContact O-OD1 3.36Å; V1129-Q1203 HydrophobicContact CB-CB 4.43Å; V1129-Q1203 HydrophobicContact CG2-CB 4.25Å; V1129-Q1203 HydrophobicContact CG2-CG 4.24Å | ||
| 1130 | D | 63.7 | Low | 68.6 | Low | 73 Ų | 73 | 54.6 Ų | 54.6 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | trans | -61.3 | 137.6 | 178.9 | -57.5 | -71.7 | 0 | 0 | 0 | 110.6 | R1061 G1128 D1132 S1133 A1134 | R1061-D1130 IonicContact CZ-OD2 3.3Å; R1061-D1130 IonicContact NH1-OD2 3.7Å; R1061-D1130 PolarHBondContact NH1-OD2 3.38Å; R1061-D1130 IonicContact NH2-OD2 2.86Å; R1061-D1130 PolarHBondContact NH2-OD2 2.95Å; G1128-D1130 PolarHBondContact O-N 2.84Å; G1128-D1130 VanDerWaalsContact O-N 3.11Å; D1130-D1132 PolarHBondContact O-N 2.85Å; D1130-S1133 WeakPolarHBondContact O-CB 3.3Å; D1130-S1133 PolarHBondContact O-N 2.94Å; D1130-A1134 PolarHBondContact O-N 2.83Å | ||
| 1131 | L | 72.1 | Confident | 69.4 | Low | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -45.4 | -33.8 | 178.4 | -92.6 | 154.8 | 0 | 0 | 0 | 114.3 | V1129 S1133 A1134 I1135 V1198 A1202 F1246 I1249 R1250 L1253 | V1129-L1131 PolarHBondContact O-N 3.31Å; L1131-S1133 VanDerWaalsContact C-N 3.34Å; L1131-S1133 PolarHBondContact O-N 3.19Å; L1131-A1134 PolarHBondContact O-N 3.21Å; L1131-I1135 WeakPolarHBondContact O-CG1 3.41Å; L1131-I1135 PolarHBondContact O-N 3.16Å; L1131-I1135 VanDerWaalsContact O-N 3.08Å; L1131-V1198 HydrophobicContact CD1-CG1 3.75Å; L1131-V1198 HydrophobicContact CD2-CG1 4.27Å; L1131-V1198 HydrophobicContact CG-CG1 4.1Å; L1131-A1202 HydrophobicContact CD2-CB 4.33Å; L1131-F1246 HydrophobicContact CD2-CB 4.06Å; L1131-F1246 HydrophobicContact CD2-CD1 3.73Å; L1131-F1246 HydrophobicContact CD2-CG 4.25Å; L1131-I1249 HydrophobicContact CD1-CG2 4.29Å; L1131-I1249 HydrophobicContact CD2-CG2 4.41Å; L1131-R1250 HydrophobicContact CD1-CB 4.39Å; L1131-L1253 HydrophobicContact CD1-CD1 3.57Å |
| 1132 | D | 71 | Confident | 70.4 | Confident | 88 Ų | 88 | 51.1 Ų | 51.1 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.9 | -33.1 | 178.4 | -63.6 | -43.6 | 0 | 0 | 0 | 112.4 | D1130 I1135 E1136 R1250 | D1130-D1132 PolarHBondContact O-N 2.85Å; D1132-I1135 PolarHBondContact O-N 3.34Å; D1132-E1136 PolarHBondContact O-N 3.18Å; D1132-R1250 IonicContact OD1-CZ 3.67Å; D1132-R1250 IonicContact OD1-NH1 3.1Å; D1132-R1250 PolarHBondContact OD1-NH1 3.22Å |
| 1133 | S | 70.9 | Confident | 71 | Confident | 34 Ų | 34 | 57 Ų | 57 | 24% | 0.238 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.3 | -34.3 | 174.1 | -179 | 0 | 0 | 0 | 0 | 112.2 | D1130 L1131 E1136 M1137 | D1130-S1133 WeakPolarHBondContact O-CB 3.3Å; D1130-S1133 PolarHBondContact O-N 2.94Å; L1131-S1133 VanDerWaalsContact C-N 3.34Å; L1131-S1133 PolarHBondContact O-N 3.19Å; S1133-E1136 PolarHBondContact O-N 3.27Å; S1133-M1137 PolarHBondContact O-N 3.05Å |
| 1134 | A | 74.3 | Confident | 71.7 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1130 L1131 M1137 V1138 A1202 F1246 | D1130-A1134 PolarHBondContact O-N 2.83Å; L1131-A1134 PolarHBondContact O-N 3.21Å; A1134-M1137 PolarHBondContact O-N 2.97Å; A1134-V1138 WeakPolarHBondContact O-CG2 3.49Å; A1134-V1138 PolarHBondContact O-N 2.76Å; A1134-A1202 HydrophobicContact CB-CB 4.09Å; A1134-F1246 HydrophobicContact CB-CD2 4.38Å; A1134-F1246 HydrophobicContact CB-CE1 4.34Å; A1134-F1246 HydrophobicContact CB-CE2 4.01Å; A1134-F1246 HydrophobicContact CB-CZ 3.99Å |
| 1135 | I | 80.6 | Confident | 72.7 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 174.8 | -67.8 | 165.5 | 0 | 0 | 0 | 111.5 | L1131 D1132 V1138 R1139 F1246 E1247 | L1131-I1135 WeakPolarHBondContact O-CG1 3.41Å; L1131-I1135 PolarHBondContact O-N 3.16Å; L1131-I1135 VanDerWaalsContact O-N 3.08Å; D1132-I1135 PolarHBondContact O-N 3.34Å; I1135-V1138 PolarHBondContact O-N 2.94Å; I1135-R1139 PolarHBondContact O-N 3.48Å; I1135-F1246 HydrophobicContact CD1-CB 3.92Å; I1135-F1246 HydrophobicContact CG1-CB 3.54Å; I1135-F1246 HydrophobicContact CG1-CD2 4.09Å; I1135-F1246 HydrophobicContact CG1-CG 4.17Å; I1135-E1247 HydrophobicContact CD1-CG 4.36Å |
| 1136 | E | 78.6 | Confident | 73.8 | Confident | 140 Ų | 140 | 49.1 Ų | 49.1 | 65% | 0.654 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65.6 | -41.2 | 178.9 | -168.8 | 160 | -144.4 | 0 | 0 | 112.1 | D1132 S1133 R1139 H1140 | D1132-E1136 PolarHBondContact O-N 3.18Å; S1133-E1136 PolarHBondContact O-N 3.27Å; E1136-R1139 WeakPolarHBondContact O-CB 3.45Å; E1136-R1139 PolarHBondContact O-N 2.78Å; E1136-H1140 PolarHBondContact O-N 3.3Å; E1136-H1140 VanDerWaalsContact O-N 3.14Å |
| 1137 | M | 77.7 | Confident | 74.9 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 21% | 0.207 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -38 | 173.7 | -178 | 65.7 | 80.8 | 0 | 0 | 112.5 | T1062 S1133 A1134 R1139 H1140 L1141 T1206 | T1062-M1137 HydrophobicContact CG2-CE 3.52Å; S1133-M1137 PolarHBondContact O-N 3.05Å; A1134-M1137 PolarHBondContact O-N 2.97Å; M1137-R1139 VanDerWaalsContact C-N 3.27Å; M1137-R1139 PolarHBondContact O-N 3.36Å; M1137-H1140 PolarHBondContact O-N 3.06Å; M1137-L1141 VanDerWaalsContact O-CG 3.32Å; M1137-L1141 WeakPolarHBondContact O-CG 3.46Å; M1137-L1141 PolarHBondContact O-N 3.26Å; M1137-T1206 HydrophobicContact CB-CG2 3.62Å; M1137-T1206 HydrophobicContact CG-CG2 3.18Å |
| 1138 | V | 82.6 | Confident | 76.2 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -32.1 | 174.1 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | A1134 I1135 L1141 E1142 L1209 M1239 F1246 | A1134-V1138 WeakPolarHBondContact O-CG2 3.49Å; A1134-V1138 PolarHBondContact O-N 2.76Å; I1135-V1138 PolarHBondContact O-N 2.94Å; V1138-L1141 PolarHBondContact O-N 2.8Å; V1138-E1142 PolarHBondContact O-N 2.96Å; V1138-E1142 VanDerWaalsContact O-N 3.09Å; V1138-L1209 HydrophobicContact CG2-CD1 3.89Å; V1138-M1239 HydrophobicContact CG1-CB 4.15Å; V1138-M1239 HydrophobicContact CG1-SD 4.33Å; V1138-F1246 HydrophobicContact CG2-CD2 4.39Å; V1138-F1246 HydrophobicContact CG2-CE2 3.77Å |
| 1139 | R | 83.4 | Confident | 77.6 | Confident | 134 Ų | 134 | 51.6 Ų | 51.6 | 51% | 0.506 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.9 | -45.5 | 173.5 | -70.5 | 177.8 | -179.8 | 142.4 | 6 | 112.1 | I1135 E1136 M1137 L1141 E1142 E1143 | I1135-R1139 PolarHBondContact O-N 3.48Å; E1136-R1139 WeakPolarHBondContact O-CB 3.45Å; E1136-R1139 PolarHBondContact O-N 2.78Å; M1137-R1139 VanDerWaalsContact C-N 3.27Å; M1137-R1139 PolarHBondContact O-N 3.36Å; R1139-L1141 PolarHBondContact O-N 3.08Å; R1139-E1142 WeakPolarHBondContact O-CB 3.49Å; R1139-E1142 PolarHBondContact O-N 3.19Å; R1139-E1143 PolarHBondContact O-N 3.04Å |
| 1140 | H | 80.2 | Confident | 78.9 | Confident | 95 Ų | 95 | 55.3 Ų | 55.3 | 44% | 0.44 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.7 | -36.6 | 173.7 | -175.6 | -67.4 | 0 | 0 | 0 | 111.9 | E1136 M1137 E1143 E1144 | E1136-H1140 PolarHBondContact O-N 3.3Å; E1136-H1140 VanDerWaalsContact O-N 3.14Å; M1137-H1140 PolarHBondContact O-N 3.06Å; H1140-E1143 WeakPolarHBondContact O-CB 3.4Å; H1140-E1143 PolarHBondContact O-N 3.18Å; H1140-E1144 IonicContact CE1-OE1 2.72Å; H1140-E1144 PolarHBondContact O-N 2.96Å |
| 1141 | L | 83.3 | Confident | 79.6 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.7 | -31 | 174.6 | -73.5 | -178.3 | 0 | 0 | 0 | 113.3 | M1137 V1138 R1139 L1145 L1209 R1210 I1213 M1239 | M1137-L1141 VanDerWaalsContact O-CG 3.32Å; M1137-L1141 WeakPolarHBondContact O-CG 3.46Å; M1137-L1141 PolarHBondContact O-N 3.26Å; V1138-L1141 PolarHBondContact O-N 2.8Å; R1139-L1141 PolarHBondContact O-N 3.08Å; L1141-L1145 PolarHBondContact O-N 3.03Å; L1141-L1145 VanDerWaalsContact O-N 3.13Å; L1141-L1209 HydrophobicContact CD1-CB 3.93Å; L1141-R1210 HydrophobicContact CD1-CB 4.36Å; L1141-R1210 HydrophobicContact CD2-CB 4.12Å; L1141-R1210 HydrophobicContact CD2-CG 4Å; L1141-I1213 HydrophobicContact CB-CD1 3.51Å; L1141-I1213 HydrophobicContact CD1-CD1 4.25Å; L1141-I1213 HydrophobicContact CD2-CD1 3.81Å; L1141-I1213 HydrophobicContact CG-CD1 4.03Å; L1141-I1213 WeakPolarHBondContact O-CD1 3.32Å; L1141-M1239 HydrophobicContact CB-SD 4.28Å |
| 1142 | E | 83.6 | Confident | 79.9 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.9 | -32.7 | 171.2 | -164.1 | -177 | 166.6 | 0 | 0 | 112.2 | V1138 R1139 T1146 R1236 M1239 | V1138-E1142 PolarHBondContact O-N 2.96Å; V1138-E1142 VanDerWaalsContact O-N 3.09Å; R1139-E1142 WeakPolarHBondContact O-CB 3.49Å; R1139-E1142 PolarHBondContact O-N 3.19Å; E1142-T1146 PolarHBondContact O-N 2.88Å; E1142-T1146 VanDerWaalsContact O-N 3.16Å; E1142-T1146 PolarHBondContact O-OG1 2.69Å; E1142-R1236 IonicContact OE1-CZ 3.52Å; E1142-R1236 IonicContact OE1-NE 3.99Å; E1142-R1236 IonicContact OE1-NH2 2.75Å; E1142-R1236 PolarHBondContact OE1-NH2 3.1Å; E1142-R1236 VanDerWaalsContact OE1-NH2 3.16Å; E1142-M1239 HydrophobicContact CB-CB 4.5Å |
| 1143 | E | 81.9 | Confident | 80.3 | Confident | 126 Ų | 126 | 55.2 Ų | 55.2 | 59% | 0.589 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.7 | -48.5 | 172.1 | -67.8 | 173.5 | 175.7 | 0 | 0 | 111 | R1139 H1140 L1145 T1146 E1147 | R1139-E1143 PolarHBondContact O-N 3.04Å; H1140-E1143 WeakPolarHBondContact O-CB 3.4Å; H1140-E1143 PolarHBondContact O-N 3.18Å; E1143-L1145 VanDerWaalsContact C-N 3.31Å; E1143-L1145 PolarHBondContact O-N 3.24Å; E1143-T1146 WeakPolarHBondContact O-CA 3.2Å; E1143-T1146 WeakPolarHBondContact O-CB 3.48Å; E1143-T1146 PolarHBondContact O-N 3.05Å; E1143-E1147 PolarHBondContact O-N 2.98Å; E1143-E1147 VanDerWaalsContact O-N 3.08Å |
| 1144 | E | 81.8 | Confident | 80.7 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.8 | -36.9 | 174.7 | -72.2 | -163.7 | 144.7 | 0 | 0 | 112.7 | K616 H1140 T1146 E1147 I1148 | K616-E1144 IonicContact NZ-OE1 3.13Å; K616-E1144 PolarHBondContact NZ-OE1 2.99Å; H1140-E1144 IonicContact CE1-OE1 2.72Å; H1140-E1144 PolarHBondContact O-N 2.96Å; E1144-T1146 VanDerWaalsContact C-N 3.28Å; E1144-T1146 PolarHBondContact O-N 3.07Å; E1144-E1147 PolarHBondContact O-N 3.49Å; E1144-I1148 VanDerWaalsContact O-CG1 3.3Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.48Å; E1144-I1148 PolarHBondContact O-N 2.93Å |
| 1145 | L | 83.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.3 | -34.4 | 172.6 | -87.4 | 167.5 | 0 | 0 | 0 | 112.8 | L1141 E1143 I1148 Q1149 I1213 I1232 C1235 R1236 M1239 | L1141-L1145 PolarHBondContact O-N 3.03Å; L1141-L1145 VanDerWaalsContact O-N 3.13Å; E1143-L1145 VanDerWaalsContact C-N 3.31Å; E1143-L1145 PolarHBondContact O-N 3.24Å; L1145-I1148 PolarHBondContact O-N 2.88Å; L1145-Q1149 WeakPolarHBondContact O-CB 3.28Å; L1145-Q1149 PolarHBondContact O-N 3.1Å; L1145-I1213 HydrophobicContact CD1-CD1 3.88Å; L1145-I1213 HydrophobicContact CD1-CG1 3.92Å; L1145-I1213 HydrophobicContact CD2-CG1 4.1Å; L1145-I1213 HydrophobicContact CD2-CG2 4.38Å; L1145-I1213 HydrophobicContact CG-CD1 3.94Å; L1145-I1213 HydrophobicContact CG-CG1 3.83Å; L1145-I1213 HydrophobicContact CG-CG2 4.3Å; L1145-I1232 HydrophobicContact CD2-CG2 4.42Å; L1145-C1235 HydrophobicContact CD1-CB 4.14Å; L1145-C1235 HydrophobicContact CD2-CB 4.08Å; L1145-R1236 HydrophobicContact CB-CG 4.41Å; L1145-R1236 HydrophobicContact CD1-CG 4.29Å; L1145-M1239 HydrophobicContact CD1-CE 4.25Å; L1145-M1239 HydrophobicContact CD1-CG 3.71Å |
| 1146 | T | 83.3 | Confident | 80.1 | Confident | 47 Ų | 47 | 72 Ų | 72 | 29% | 0.288 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.6 | -40.2 | 177.3 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | E1142 E1143 E1144 I1148 Q1149 D1150 R1236 | E1142-T1146 PolarHBondContact O-N 2.88Å; E1142-T1146 VanDerWaalsContact O-N 3.16Å; E1142-T1146 PolarHBondContact O-OG1 2.69Å; E1143-T1146 WeakPolarHBondContact O-CA 3.2Å; E1143-T1146 WeakPolarHBondContact O-CB 3.48Å; E1143-T1146 PolarHBondContact O-N 3.05Å; E1144-T1146 VanDerWaalsContact C-N 3.28Å; E1144-T1146 PolarHBondContact O-N 3.07Å; T1146-I1148 VanDerWaalsContact C-N 3.34Å; T1146-I1148 PolarHBondContact O-N 2.78Å; T1146-Q1149 WeakPolarHBondContact O-CB 3.24Å; T1146-Q1149 PolarHBondContact O-N 3.22Å; T1146-D1150 PolarHBondContact O-N 3.18Å; T1146-R1236 PolarHBondContact OG1-NH1 3.17Å |
| 1147 | E | 80.5 | Confident | 79.7 | Confident | 111 Ų | 111 | 66.5 Ų | 66.5 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 172.6 | -63.3 | -170.3 | 165.4 | 0 | 0 | 112.8 | E1143 E1144 S1151 | E1143-E1147 PolarHBondContact O-N 2.98Å; E1143-E1147 VanDerWaalsContact O-N 3.08Å; E1144-E1147 PolarHBondContact O-N 3.49Å; E1147-S1151 VanDerWaalsContact O-CB 3.3Å; E1147-S1151 WeakPolarHBondContact O-CB 3.28Å; E1147-S1151 PolarHBondContact O-N 3.28Å; E1147-S1151 PolarHBondContact O-OG 2.94Å |
| 1148 | I | 80.5 | Confident | 79.3 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 9% | 0.092 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 173.4 | -67 | 162.3 | 0 | 0 | 0 | 110.5 | E1144 L1145 T1146 S1151 Y1152 L1157 I1213 R1217 I1232 | E1144-I1148 VanDerWaalsContact O-CG1 3.3Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.48Å; E1144-I1148 PolarHBondContact O-N 2.93Å; L1145-I1148 PolarHBondContact O-N 2.88Å; T1146-I1148 VanDerWaalsContact C-N 3.34Å; T1146-I1148 PolarHBondContact O-N 2.78Å; I1148-S1151 PolarHBondContact O-N 2.99Å; I1148-Y1152 WeakPolarHBondContact O-CB 3.43Å; I1148-Y1152 PolarHBondContact O-N 2.9Å; I1148-L1157 HydrophobicContact CG2-CD1 4.26Å; I1148-I1213 HydrophobicContact CD1-CG2 3.73Å; I1148-R1217 HydrophobicContact CD1-CB 4.15Å; I1148-I1232 HydrophobicContact CG2-CD1 4.03Å |
| 1149 | Q | 82.6 | Confident | 78.6 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 176.3 | -160.8 | 162.7 | 19.9 | 0 | 0 | 111.4 | L1145 T1146 Y1152 N1153 I1232 D1233 | L1145-Q1149 WeakPolarHBondContact O-CB 3.28Å; L1145-Q1149 PolarHBondContact O-N 3.1Å; T1146-Q1149 WeakPolarHBondContact O-CB 3.24Å; T1146-Q1149 PolarHBondContact O-N 3.22Å; Q1149-Y1152 PolarHBondContact O-N 3.17Å; Q1149-N1153 WeakPolarHBondContact O-CB 3.28Å; Q1149-N1153 PolarHBondContact O-N 3Å; Q1149-N1153 PolarHBondContact O-ND2 2.89Å; Q1149-I1232 HydrophobicContact CB-CD1 4.37Å; Q1149-I1232 HydrophobicContact CB-CG2 4Å; Q1149-I1232 HydrophobicContact CG-CG2 4.06Å; Q1149-D1233 PolarHBondContact NE2-OD1 3.42Å |
| 1150 | D | 81.1 | Confident | 77.7 | Confident | 89 Ų | 89 | 66.9 Ų | 66.9 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 176.8 | -76.5 | -20.2 | 0 | 0 | 0 | 111.7 | T1146 Y1152 N1153 Q1154 | T1146-D1150 PolarHBondContact O-N 3.18Å; D1150-Y1152 PolarHBondContact O-N 3.28Å; D1150-N1153 PolarHBondContact O-N 3.12Å; D1150-Q1154 WeakPolarHBondContact O-CB 3.46Å; D1150-Q1154 WeakPolarHBondContact O-CG 3.5Å; D1150-Q1154 PolarHBondContact O-N 3.33Å |
| 1151 | S | 78.3 | Confident | 76.9 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.7 | -36.4 | 178.2 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | E1147 I1148 K1155 L1156 | E1147-S1151 VanDerWaalsContact O-CB 3.3Å; E1147-S1151 WeakPolarHBondContact O-CB 3.28Å; E1147-S1151 PolarHBondContact O-N 3.28Å; E1147-S1151 PolarHBondContact O-OG 2.94Å; I1148-S1151 PolarHBondContact O-N 2.99Å; S1151-K1155 PolarHBondContact O-N 2.96Å; S1151-L1156 PolarHBondContact O-N 3.09Å |
| 1152 | Y | 78.7 | Confident | 75.9 | Confident | 60 Ų | 60 | 68.8 Ų | 68.8 | 24% | 0.235 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.7 | -48.3 | 174.8 | -179.3 | -103.1 | 0 | 0 | 0 | 111.1 | I1148 Q1149 D1150 Q1154 K1155 L1157 C1220 L1226 G1228 | I1148-Y1152 WeakPolarHBondContact O-CB 3.43Å; I1148-Y1152 PolarHBondContact O-N 2.9Å; Q1149-Y1152 PolarHBondContact O-N 3.17Å; D1150-Y1152 PolarHBondContact O-N 3.28Å; Y1152-Q1154 VanDerWaalsContact C-N 3.28Å; Y1152-Q1154 PolarHBondContact O-N 3.18Å; Y1152-K1155 PolarHBondContact O-N 3.25Å; Y1152-L1157 HydrophobicContact CD2-CD1 4.17Å; Y1152-L1157 HydrophobicContact CG-CD1 4.47Å; Y1152-C1220 HydrophobicContact CD2-CB 4.01Å; Y1152-C1220 HydrophobicContact CE2-CB 4.3Å; Y1152-L1226 PolarHBondContact OH-O 3.19Å; Y1152-L1226 VanDerWaalsContact OH-O 3.14Å; Y1152-G1228 PolarHBondContact OH-N 3.33Å; Y1152-G1228 VanDerWaalsContact OH-N 3.09Å |
| 1153 | N | 79.9 | Confident | 75.2 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.8 | -32.1 | 178.3 | -74.7 | -52.9 | 0 | 0 | 0 | 112.7 | Q1149 D1150 K1155 N1229 | Q1149-N1153 WeakPolarHBondContact O-CB 3.28Å; Q1149-N1153 PolarHBondContact O-N 3Å; Q1149-N1153 PolarHBondContact O-ND2 2.89Å; D1150-N1153 PolarHBondContact O-N 3.12Å; N1153-K1155 VanDerWaalsContact C-N 3.31Å; N1153-N1229 PolarHBondContact ND2-OD1 3.49Å; N1153-N1229 VanDerWaalsContact ND2-OD1 3.13Å; N1153-N1229 PolarHBondContact OD1-ND2 3.41Å; N1153-N1229 PolarHBondContact OD1-OD1 3.09Å |
| 1154 | Q | 78.1 | Confident | 74.6 | Confident | 126 Ų | 126 | 63.9 Ų | 63.9 | 59% | 0.589 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -6.1 | 173.1 | -67.5 | 174.9 | 47.2 | 0 | 0 | 114 | D1150 Y1152 L1156 | D1150-Q1154 WeakPolarHBondContact O-CB 3.46Å; D1150-Q1154 WeakPolarHBondContact O-CG 3.5Å; D1150-Q1154 PolarHBondContact O-N 3.33Å; Y1152-Q1154 VanDerWaalsContact C-N 3.28Å; Y1152-Q1154 PolarHBondContact O-N 3.18Å; Q1154-L1156 VanDerWaalsContact C-N 3.25Å; Q1154-L1156 HydrophobicContact CB-CD1 3.85Å; Q1154-L1156 HydrophobicContact CB-CG 3.87Å; Q1154-L1156 PolarHBondContact O-N 3.09Å; Q1154-L1156 VanDerWaalsContact OE1-CD1 3.31Å |
| 1155 | K | 71.4 | Confident | 74 | Confident | 192 Ų | 192 | 63.8 Ų | 63.8 | 84% | 0.835 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 32.4 | -174.3 | -54.1 | -175.2 | 178.3 | -174 | 0 | 114.1 | S1151 Y1152 N1153 | S1151-K1155 PolarHBondContact O-N 2.96Å; Y1152-K1155 PolarHBondContact O-N 3.25Å; N1153-K1155 VanDerWaalsContact C-N 3.31Å |
| 1156 | L | 71.5 | Confident | 73.1 | Confident | 81 Ų | 81 | 71.6 Ų | 71.6 | 42% | 0.424 | 38% | 0.384 | S | S | . | . | trans | -92.1 | -16 | 179.9 | -67.3 | 174.7 | 0 | 0 | 0 | 113.4 | S1151 Q1154 R1158 | S1151-L1156 PolarHBondContact O-N 3.09Å; Q1154-L1156 VanDerWaalsContact C-N 3.25Å; Q1154-L1156 HydrophobicContact CB-CD1 3.85Å; Q1154-L1156 HydrophobicContact CB-CG 3.87Å; Q1154-L1156 PolarHBondContact O-N 3.09Å; Q1154-L1156 VanDerWaalsContact OE1-CD1 3.31Å; L1156-R1158 PolarHBondContact O-N 2.96Å | ||
| 1157 | L | 70.5 | Confident | 72.4 | Confident | 23 Ų | 23 | 73.4 Ų | 73.4 | 12% | 0.12 | 39% | 0.392 | C | S | . | . | trans | -63.8 | 124.1 | 176.6 | -70.3 | 174.9 | 0 | 0 | 0 | 111.4 | I1148 Y1152 R1217 C1220 A1221 | I1148-L1157 HydrophobicContact CG2-CD1 4.26Å; Y1152-L1157 HydrophobicContact CD2-CD1 4.17Å; Y1152-L1157 HydrophobicContact CG-CD1 4.47Å; L1157-R1217 HydrophobicContact CD2-CG 4.25Å; L1157-C1220 HydrophobicContact CD1-CB 4.29Å; L1157-A1221 HydrophobicContact CB-CB 4.44Å | ||
| 1158 | R | 69.4 | Low | 72 | Confident | 108 Ų | 108 | 68.1 Ų | 68.1 | 41% | 0.408 | 37% | 0.368 | S | S | . | . | trans | -119.4 | 145.4 | 168.6 | -67.5 | -172.7 | 175.8 | -159.4 | -0.1 | 110 | E607 L1156 R1217 | E607-R1158 PolarHBondContact O-NH1 2.96Å; E607-R1158 IonicContact OE2-CZ 3.19Å; E607-R1158 IonicContact OE2-NH1 2.65Å; E607-R1158 PolarHBondContact OE2-NH1 2.86Å; E607-R1158 IonicContact OE2-NH2 3.95Å; E607-R1158 PolarHBondContact OE2-NH2 3.13Å; E607-R1158 VanDerWaalsContact OE2-NH2 3.09Å; L1156-R1158 PolarHBondContact O-N 2.96Å; R1158-R1217 PolarHBondContact O-NH2 3.11Å | ||
| 1159 | P | 66.3 | Low | 71.6 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 40% | 0.396 | 37% | 0.373 | S | S | . | . | trans | -66.7 | 145.9 | 177.1 | 28 | -34.6 | 0 | 0 | 0 | 111 | A1221 N1222 | P1159-A1221 HydrophobicContact CB-CB 4.34Å; P1159-N1222 VanDerWaalsContact CB-OD1 3.31Å; P1159-N1222 WeakPolarHBondContact CB-OD1 3.32Å | ||
| 1160 | A | 66 | Low | 71 | Confident | 18 Ų | 18 | 68.8 Ų | 68.8 | 15% | 0.149 | 38% | 0.382 | C | S | . | . | trans | -73.2 | 151.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G1162 D1163 | A1160-G1162 PolarHBondContact O-N 3.28Å; A1160-D1163 PolarHBondContact O-N 3.44Å; A1160-D1163 VanDerWaalsContact O-N 3.14Å | ||
| 1161 | P | 61.6 | Low | 70.6 | Confident | 70 Ų | 70 | 69.8 Ų | 69.8 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 105.9 | 179.6 | -23.9 | 34.4 | 0 | 0 | 0 | 112.3 | W617 | W617-P1161 HydrophobicContact CH2-CG 4.4Å; W617-P1161 HydrophobicContact CZ2-CG 4.23Å |
| 1162 | G | 63.9 | Low | 70.7 | Confident | 66 Ų | 66 | 68.6 Ų | 68.6 | 68% | 0.68 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.7 | -14.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1160 T1164 | A1160-G1162 PolarHBondContact O-N 3.28Å; G1162-T1164 PolarHBondContact O-N 3.33Å |
| 1163 | D | 67.3 | Low | 70.5 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 11% | 0.107 | 36% | 0.363 | C | S | . | . | trans | -81.7 | 114.6 | 178.6 | -70.7 | -32 | 0 | 0 | 0 | 111.6 | A1160 R1171 T1218 N1222 | A1160-D1163 PolarHBondContact O-N 3.44Å; A1160-D1163 VanDerWaalsContact O-N 3.14Å; D1163-R1171 IonicContact OD1-CZ 3.98Å; D1163-R1171 IonicContact OD1-NH1 3.48Å; D1163-R1171 PolarHBondContact OD1-NH1 2.89Å; D1163-T1218 WeakPolarHBondContact OD2-CG2 3.36Å; D1163-N1222 PolarHBondContact O-ND2 3.03Å; D1163-N1222 VanDerWaalsContact O-ND2 3.08Å; D1163-N1222 PolarHBondContact O-OD1 3.47Å | ||
| 1164 | T | 70.9 | Confident | 70 | Confident | 67 Ų | 67 | 64.9 Ų | 64.9 | 41% | 0.411 | 36% | 0.359 | S | S | . | . | trans | -94.8 | 155.7 | 170.6 | 63.4 | 0 | 0 | 0 | 0 | 111.3 | G1162 E1166 N1167 A1168 | G1162-T1164 PolarHBondContact O-N 3.33Å; T1164-E1166 VanDerWaalsContact C-N 3.3Å; T1164-E1166 PolarHBondContact O-N 2.66Å; T1164-N1167 PolarHBondContact O-N 2.86Å; T1164-N1167 WeakPolarHBondContact OG1-CB 3.41Å; T1164-N1167 VanDerWaalsContact OG1-CG 3.25Å; T1164-N1167 PolarHBondContact OG1-N 2.87Å; T1164-N1167 PolarHBondContact OG1-ND2 2.72Å; T1164-A1168 WeakPolarHBondContact O-CB 3.36Å; T1164-A1168 PolarHBondContact O-N 3.25Å | ||
| 1165 | A | 68.1 | Low | 70 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 35% | 0.347 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.5 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | A1168 C1169 N1222 V1223 | A1165-A1168 PolarHBondContact O-N 3.06Å; A1165-C1169 PolarHBondContact O-N 3.24Å; A1165-C1169 PolarHBondContact O-SG 3.3Å; A1165-C1169 VanDerWaalsContact O-SG 3.34Å; A1165-N1222 HydrophobicContact CB-CB 4.17Å; A1165-V1223 HydrophobicContact CB-CG2 4.27Å |
| 1166 | E | 66 | Low | 70.3 | Confident | 165 Ų | 165 | 50.6 Ų | 50.6 | 77% | 0.771 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.4 | -48.3 | 177.5 | -65.4 | 173.1 | -175 | 0 | 0 | 111.9 | T1164 A1168 C1169 G1170 | T1164-E1166 VanDerWaalsContact C-N 3.3Å; T1164-E1166 PolarHBondContact O-N 2.66Å; E1166-A1168 VanDerWaalsContact C-N 3.31Å; E1166-A1168 PolarHBondContact O-N 3.05Å; E1166-C1169 PolarHBondContact O-N 3.11Å; E1166-G1170 PolarHBondContact O-N 3.42Å |
| 1167 | N | 68.7 | Low | 70.4 | Confident | 85 Ų | 85 | 52 Ų | 52 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 177 | -73.8 | -14.6 | 0 | 0 | 0 | 111.8 | T1164 R1171 | T1164-N1167 PolarHBondContact O-N 2.86Å; T1164-N1167 WeakPolarHBondContact OG1-CB 3.41Å; T1164-N1167 VanDerWaalsContact OG1-CG 3.25Å; T1164-N1167 PolarHBondContact OG1-N 2.87Å; T1164-N1167 PolarHBondContact OG1-ND2 2.72Å; N1167-R1171 WeakPolarHBondContact O-CB 3.37Å; N1167-R1171 VanDerWaalsContact O-CG 3.3Å; N1167-R1171 WeakPolarHBondContact O-CG 3.47Å; N1167-R1171 PolarHBondContact O-N 3.46Å |
| 1168 | A | 70.4 | Confident | 70.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1164 A1165 E1166 G1170 R1171 L1172 V1219 | T1164-A1168 WeakPolarHBondContact O-CB 3.36Å; T1164-A1168 PolarHBondContact O-N 3.25Å; A1165-A1168 PolarHBondContact O-N 3.06Å; E1166-A1168 VanDerWaalsContact C-N 3.31Å; E1166-A1168 PolarHBondContact O-N 3.05Å; A1168-G1170 PolarHBondContact O-N 3.41Å; A1168-R1171 PolarHBondContact O-N 3.4Å; A1168-L1172 PolarHBondContact O-N 2.89Å; A1168-V1219 VanDerWaalsContact C-CG2 3.49Å; A1168-V1219 HydrophobicContact CB-CG2 3.73Å; A1168-V1219 WeakPolarHBondContact O-CG2 3.39Å |
| 1169 | C | 72.5 | Confident | 71.2 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.3 | -39 | 176.1 | -66.9 | 0 | 0 | 0 | 0 | 112.7 | A1165 E1166 T1173 L1283 | A1165-C1169 PolarHBondContact O-N 3.24Å; A1165-C1169 PolarHBondContact O-SG 3.3Å; A1165-C1169 VanDerWaalsContact O-SG 3.34Å; E1166-C1169 PolarHBondContact O-N 3.11Å; C1169-T1173 PolarHBondContact O-N 2.95Å; C1169-T1173 VanDerWaalsContact O-N 3.12Å; C1169-T1173 PolarHBondContact O-OG1 3.48Å; C1169-L1283 HydrophobicContact CB-CD1 4.21Å; C1169-L1283 HydrophobicContact CB-CD2 4.45Å |
| 1170 | G | 70.8 | Confident | 71.8 | Confident | 31 Ų | 31 | 45.2 Ų | 45.2 | 32% | 0.32 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1166 A1168 T1173 S1174 | E1166-G1170 PolarHBondContact O-N 3.42Å; A1168-G1170 PolarHBondContact O-N 3.41Å; G1170-T1173 PolarHBondContact O-N 3.37Å; G1170-S1174 PolarHBondContact O-N 2.9Å; G1170-S1174 PolarHBondContact O-OG 2.94Å |
| 1171 | R | 73 | Confident | 72 | Confident | 110 Ų | 110 | 44.6 Ų | 44.6 | 42% | 0.415 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 175.5 | -78.7 | 176.8 | 178.5 | 160 | -0.4 | 112 | D1163 N1167 A1168 T1173 S1174 A1175 | D1163-R1171 IonicContact OD1-CZ 3.98Å; D1163-R1171 IonicContact OD1-NH1 3.48Å; D1163-R1171 PolarHBondContact OD1-NH1 2.89Å; N1167-R1171 WeakPolarHBondContact O-CB 3.37Å; N1167-R1171 VanDerWaalsContact O-CG 3.3Å; N1167-R1171 WeakPolarHBondContact O-CG 3.47Å; N1167-R1171 PolarHBondContact O-N 3.46Å; A1168-R1171 PolarHBondContact O-N 3.4Å; R1171-T1173 VanDerWaalsContact C-N 3.31Å; R1171-T1173 PolarHBondContact O-N 3.49Å; R1171-S1174 PolarHBondContact O-N 2.94Å; R1171-A1175 WeakPolarHBondContact O-CB 3.46Å; R1171-A1175 PolarHBondContact O-N 3.14Å |
| 1172 | L | 80.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.8 | -44.1 | 176.5 | -177.8 | 67.6 | 0 | 0 | 0 | 111.8 | A1168 T1176 L1212 V1216 V1219 L1231 L1283 | A1168-L1172 PolarHBondContact O-N 2.89Å; L1172-T1176 WeakPolarHBondContact O-CB 3.46Å; L1172-T1176 PolarHBondContact O-N 3.02Å; L1172-T1176 PolarHBondContact O-OG1 2.98Å; L1172-L1212 HydrophobicContact CD1-CD1 3.86Å; L1172-V1216 HydrophobicContact CD1-CG2 3.77Å; L1172-V1219 HydrophobicContact CB-CG2 4.13Å; L1172-V1219 HydrophobicContact CD2-CG2 4.15Å; L1172-L1231 HydrophobicContact CD2-CD1 4.36Å; L1172-L1231 HydrophobicContact CD2-CD2 4.28Å; L1172-L1283 HydrophobicContact CD2-CD2 4.19Å |
| 1173 | T | 73.8 | Confident | 73.5 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 179.1 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | C1169 G1170 R1171 K1177 A1404 | C1169-T1173 PolarHBondContact O-N 2.95Å; C1169-T1173 VanDerWaalsContact O-N 3.12Å; C1169-T1173 PolarHBondContact O-OG1 3.48Å; G1170-T1173 PolarHBondContact O-N 3.37Å; R1171-T1173 VanDerWaalsContact C-N 3.31Å; R1171-T1173 PolarHBondContact O-N 3.49Å; T1173-K1177 PolarHBondContact O-N 3.39Å; T1173-A1404 HydrophobicContact CG2-CB 4.35Å |
| 1174 | S | 69.1 | Low | 73.8 | Confident | 55 Ų | 55 | 38 Ų | 38 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.2 | -49.2 | 175.6 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | G1170 R1171 T1176 K1177 V1178 | G1170-S1174 PolarHBondContact O-N 2.9Å; G1170-S1174 PolarHBondContact O-OG 2.94Å; R1171-S1174 PolarHBondContact O-N 2.94Å; S1174-T1176 VanDerWaalsContact C-N 3.28Å; S1174-T1176 PolarHBondContact O-N 3.4Å; S1174-K1177 WeakPolarHBondContact O-CB 3.45Å; S1174-K1177 PolarHBondContact O-N 3.43Å; S1174-V1178 WeakPolarHBondContact O-CG2 3.41Å; S1174-V1178 PolarHBondContact O-N 3.36Å |
| 1175 | A | 77.6 | Confident | 73.9 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58 | -40.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1171 K1177 V1178 V1179 L1212 | R1171-A1175 WeakPolarHBondContact O-CB 3.46Å; R1171-A1175 PolarHBondContact O-N 3.14Å; A1175-K1177 VanDerWaalsContact C-N 3.3Å; A1175-K1177 PolarHBondContact O-N 3.38Å; A1175-V1178 PolarHBondContact O-N 3.06Å; A1175-V1179 WeakPolarHBondContact O-CG2 3.33Å; A1175-V1179 PolarHBondContact O-N 2.96Å; A1175-L1212 HydrophobicContact CB-CB 4.49Å; A1175-L1212 HydrophobicContact CB-CD1 4.29Å |
| 1176 | T | 79.6 | Confident | 74.5 | Confident | 8 Ų | 8 | 33.7 Ų | 33.7 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.4 | -39.5 | 175.8 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | L1172 S1174 G1180 L1276 V1280 | L1172-T1176 WeakPolarHBondContact O-CB 3.46Å; L1172-T1176 PolarHBondContact O-N 3.02Å; L1172-T1176 PolarHBondContact O-OG1 2.98Å; S1174-T1176 VanDerWaalsContact C-N 3.28Å; S1174-T1176 PolarHBondContact O-N 3.4Å; T1176-G1180 PolarHBondContact O-N 3.04Å; T1176-L1276 HydrophobicContact CG2-CB 3.68Å; T1176-L1276 HydrophobicContact CG2-CD2 4.12Å; T1176-L1276 HydrophobicContact CG2-CG 4.47Å; T1176-L1276 VanDerWaalsContact CG2-O 3.29Å; T1176-L1276 WeakPolarHBondContact CG2-O 3.33Å; T1176-V1280 HydrophobicContact CG2-CG2 3.84Å |
| 1177 | K | 73 | Confident | 75 | Confident | 111 Ų | 111 | 27.5 Ų | 27.5 | 48% | 0.483 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -69.6 | -41.7 | 176.6 | -69.9 | -177.8 | 179.6 | -173.2 | 0 | 112.2 | T1173 S1174 A1175 G1180 S1181 | T1173-K1177 PolarHBondContact O-N 3.39Å; S1174-K1177 WeakPolarHBondContact O-CB 3.45Å; S1174-K1177 PolarHBondContact O-N 3.43Å; A1175-K1177 VanDerWaalsContact C-N 3.3Å; A1175-K1177 PolarHBondContact O-N 3.38Å; K1177-G1180 CarbonylContact O-C 3.11Å; K1177-G1180 WeakPolarHBondContact O-CA 3.36Å; K1177-G1180 PolarHBondContact O-N 3.25Å; K1177-G1180 VanDerWaalsContact O-N 3.07Å; K1177-S1181 PolarHBondContact O-N 2.99Å |
| 1178 | V | 74.8 | Confident | 75.2 | Confident | 38 Ų | 38 | 24.3 Ų | 24.3 | 23% | 0.23 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 179.1 | -179 | 0 | 0 | 0 | 0 | 111.1 | S1174 A1175 G1180 S1181 S1182 S1208 P1675 | S1174-V1178 WeakPolarHBondContact O-CG2 3.41Å; S1174-V1178 PolarHBondContact O-N 3.36Å; A1175-V1178 PolarHBondContact O-N 3.06Å; V1178-G1180 PolarHBondContact O-N 3.18Å; V1178-S1181 WeakPolarHBondContact CA-OG 3.32Å; V1178-S1181 PolarHBondContact O-N 3.08Å; V1178-S1181 VanDerWaalsContact O-N 3.17Å; V1178-S1181 PolarHBondContact O-OG 3.46Å; V1178-S1182 PolarHBondContact O-N 3.02Å; V1178-S1182 PolarHBondContact O-OG 3.04Å; V1178-S1208 WeakPolarHBondContact CG1-OG 3.44Å; V1178-P1675 HydrophobicContact CG2-CG 4.48Å |
| 1179 | V | 82.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.4 | -39.3 | 171.6 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | A1175 V1183 S1208 L1209 L1212 L1276 | A1175-V1179 WeakPolarHBondContact O-CG2 3.33Å; A1175-V1179 PolarHBondContact O-N 2.96Å; V1179-V1183 HydrophobicContact CG1-CG2 4.33Å; V1179-V1183 WeakPolarHBondContact O-CB 3.31Å; V1179-V1183 WeakPolarHBondContact O-CG2 3.47Å; V1179-V1183 PolarHBondContact O-N 2.98Å; V1179-S1208 WeakPolarHBondContact CG2-O 3.28Å; V1179-L1209 HydrophobicContact CG1-CD2 3.85Å; V1179-L1209 HydrophobicContact CG1-CG 4.38Å; V1179-L1209 HydrophobicContact CG2-CD2 4.28Å; V1179-L1212 HydrophobicContact CG2-CB 4.37Å; V1179-L1276 HydrophobicContact CB-CD1 4.12Å; V1179-L1276 HydrophobicContact CB-CD2 4.12Å; V1179-L1276 HydrophobicContact CG1-CD1 3.71Å; V1179-L1276 HydrophobicContact CG1-CD2 3.98Å; V1179-L1276 HydrophobicContact CG1-CG 4.49Å |
| 1180 | G | 77.4 | Confident | 75.3 | Confident | 10 Ų | 10 | 23.2 Ų | 23.2 | 10% | 0.103 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1176 K1177 V1178 A1184 | T1176-G1180 PolarHBondContact O-N 3.04Å; K1177-G1180 CarbonylContact O-C 3.11Å; K1177-G1180 WeakPolarHBondContact O-CA 3.36Å; K1177-G1180 PolarHBondContact O-N 3.25Å; K1177-G1180 VanDerWaalsContact O-N 3.07Å; V1178-G1180 PolarHBondContact O-N 3.18Å; G1180-A1184 PolarHBondContact O-N 3.2Å |
| 1181 | S | 70.2 | Confident | 75.2 | Confident | 5 Ų | 5 | 24.4 Ų | 24.4 | 4% | 0.035 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.7 | -43.6 | 177.2 | 53 | 0 | 0 | 0 | 0 | 112.2 | K1177 V1178 V1183 A1184 Q1185 | K1177-S1181 PolarHBondContact O-N 2.99Å; V1178-S1181 WeakPolarHBondContact CA-OG 3.32Å; V1178-S1181 PolarHBondContact O-N 3.08Å; V1178-S1181 VanDerWaalsContact O-N 3.17Å; V1178-S1181 PolarHBondContact O-OG 3.46Å; S1181-V1183 VanDerWaalsContact C-N 3.31Å; S1181-V1183 PolarHBondContact O-N 3.44Å; S1181-A1184 WeakPolarHBondContact O-CA 3.27Å; S1181-A1184 WeakPolarHBondContact O-CB 3.09Å; S1181-A1184 PolarHBondContact O-N 3.18Å; S1181-Q1185 WeakPolarHBondContact O-CG 3.36Å; S1181-Q1185 PolarHBondContact O-N 2.93Å; S1181-Q1185 PolarHBondContact O-OE1 3.46Å |
| 1182 | S | 76.3 | Confident | 74.9 | Confident | 6 Ų | 6 | 22.9 Ų | 22.9 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.2 | -36.6 | 176.9 | -55 | 0 | 0 | 0 | 0 | 112.5 | V1178 A1184 Q1185 L1186 V1205 S1208 | V1178-S1182 PolarHBondContact O-N 3.02Å; V1178-S1182 PolarHBondContact O-OG 3.04Å; S1182-A1184 VanDerWaalsContact C-N 3.34Å; S1182-A1184 PolarHBondContact O-N 3.44Å; S1182-Q1185 VanDerWaalsContact CA-OE1 3.26Å; S1182-Q1185 PolarHBondContact O-N 3.19Å; S1182-L1186 VanDerWaalsContact O-CB 3.26Å; S1182-L1186 WeakPolarHBondContact O-CB 3.29Å; S1182-L1186 PolarHBondContact O-N 3.02Å; S1182-V1205 WeakPolarHBondContact O-CG2 3.41Å; S1182-S1208 PolarHBondContact OG-OG 3.48Å |
| 1183 | V | 82.4 | Confident | 74.3 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.4 | -40.9 | 171 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | V1179 S1181 L1186 L1187 V1205 L1245 A1269 L1272 | V1179-V1183 HydrophobicContact CG1-CG2 4.33Å; V1179-V1183 WeakPolarHBondContact O-CB 3.31Å; V1179-V1183 WeakPolarHBondContact O-CG2 3.47Å; V1179-V1183 PolarHBondContact O-N 2.98Å; S1181-V1183 VanDerWaalsContact C-N 3.31Å; S1181-V1183 PolarHBondContact O-N 3.44Å; V1183-L1186 PolarHBondContact O-N 2.66Å; V1183-L1187 VanDerWaalsContact O-CG 3.3Å; V1183-L1187 WeakPolarHBondContact O-CG 3.38Å; V1183-L1187 PolarHBondContact O-N 2.84Å; V1183-V1205 HydrophobicContact CG2-CG1 4.44Å; V1183-V1205 HydrophobicContact CG2-CG2 4.1Å; V1183-L1245 HydrophobicContact CG1-CD2 3.95Å; V1183-L1245 HydrophobicContact CG2-CD2 4.13Å; V1183-A1269 HydrophobicContact CG1-CB 3.94Å; V1183-L1272 HydrophobicContact CG1-CD2 4.19Å; V1183-L1272 HydrophobicContact CG2-CD2 3.52Å; V1183-L1272 HydrophobicContact CG2-CG 4.43Å |
| 1184 | A | 73.2 | Confident | 73.9 | Confident | 10 Ų | 10 | 26 Ų | 26 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.7 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1180 S1181 S1182 L1187 S1188 | G1180-A1184 PolarHBondContact O-N 3.2Å; S1181-A1184 WeakPolarHBondContact O-CA 3.27Å; S1181-A1184 WeakPolarHBondContact O-CB 3.09Å; S1181-A1184 PolarHBondContact O-N 3.18Å; S1182-A1184 VanDerWaalsContact C-N 3.34Å; S1182-A1184 PolarHBondContact O-N 3.44Å; A1184-L1187 PolarHBondContact O-N 2.88Å; A1184-S1188 PolarHBondContact O-N 3.37Å; A1184-S1188 PolarHBondContact O-OG 2.9Å |
| 1185 | Q | 72.8 | Confident | 73.9 | Confident | 18 Ų | 18 | 27 Ų | 27 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 173.8 | -67.8 | 166.9 | -66.1 | 0 | 0 | 110.8 | S1181 S1182 L1187 S1188 A1189 F1671 | S1181-Q1185 WeakPolarHBondContact O-CG 3.36Å; S1181-Q1185 PolarHBondContact O-N 2.93Å; S1181-Q1185 PolarHBondContact O-OE1 3.46Å; S1182-Q1185 VanDerWaalsContact CA-OE1 3.26Å; S1182-Q1185 PolarHBondContact O-N 3.19Å; Q1185-L1187 PolarHBondContact O-N 3.45Å; Q1185-S1188 WeakPolarHBondContact O-CB 3.46Å; Q1185-S1188 PolarHBondContact O-N 2.92Å; Q1185-A1189 PolarHBondContact O-N 3.36Å; Q1185-F1671 HydrophobicContact CG-CE2 4.27Å |
| 1186 | L | 80.4 | Confident | 73.2 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -36.8 | 178.1 | -178.2 | 63 | 0 | 0 | 0 | 113.2 | S1182 V1183 A1189 G1190 V1198 A1202 V1205 L1245 F1246 I1249 | S1182-L1186 VanDerWaalsContact O-CB 3.26Å; S1182-L1186 WeakPolarHBondContact O-CB 3.29Å; S1182-L1186 PolarHBondContact O-N 3.02Å; V1183-L1186 PolarHBondContact O-N 2.66Å; L1186-A1189 WeakPolarHBondContact O-CB 3.44Å; L1186-A1189 PolarHBondContact O-N 3.13Å; L1186-G1190 PolarHBondContact O-N 3Å; L1186-V1198 HydrophobicContact CD1-CG1 4.18Å; L1186-A1202 HydrophobicContact CD1-CB 4.24Å; L1186-V1205 HydrophobicContact CB-CG2 4.29Å; L1186-V1205 HydrophobicContact CD2-CG2 3.91Å; L1186-L1245 HydrophobicContact CD2-CD2 3.99Å; L1186-L1245 HydrophobicContact CD2-CG 4.5Å; L1186-F1246 HydrophobicContact CD2-CD1 3.95Å; L1186-F1246 HydrophobicContact CD2-CE1 3.5Å; L1186-F1246 VanDerWaalsContact CD2-CE1 3.5Å; L1186-F1246 HydrophobicContact CD2-CZ 4.48Å; L1186-I1249 HydrophobicContact CD1-CD1 3.79Å; L1186-I1249 HydrophobicContact CD2-CD1 3.48Å; L1186-I1249 VanDerWaalsContact CD2-CD1 3.48Å; L1186-I1249 HydrophobicContact CG-CD1 3.4Å; L1186-I1249 VanDerWaalsContact CG-CD1 3.4Å |
| 1187 | L | 77.5 | Confident | 72.5 | Confident | 36 Ų | 36 | 35.1 Ų | 35.1 | 19% | 0.188 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 171.1 | -76.3 | 176.3 | 0 | 0 | 0 | 111.9 | V1183 A1184 Q1185 A1189 G1190 A1191 L1245 L1265 A1269 | V1183-L1187 VanDerWaalsContact O-CG 3.3Å; V1183-L1187 WeakPolarHBondContact O-CG 3.38Å; V1183-L1187 PolarHBondContact O-N 2.84Å; A1184-L1187 PolarHBondContact O-N 2.88Å; Q1185-L1187 PolarHBondContact O-N 3.45Å; L1187-A1189 VanDerWaalsContact C-N 3.3Å; L1187-A1189 PolarHBondContact O-N 2.87Å; L1187-G1190 PolarHBondContact O-N 2.95Å; L1187-A1191 WeakPolarHBondContact O-CB 3.42Å; L1187-A1191 PolarHBondContact O-N 3.43Å; L1187-L1245 HydrophobicContact CD2-CD1 4.32Å; L1187-L1265 HydrophobicContact CD2-CD1 4.05Å; L1187-L1265 HydrophobicContact CD2-CD2 3.93Å; L1187-L1265 HydrophobicContact CD2-CG 3.51Å; L1187-A1269 HydrophobicContact CD1-CB 3.59Å; L1187-A1269 HydrophobicContact CD2-CB 3.84Å; L1187-A1269 HydrophobicContact CG-CB 4.04Å |
| 1188 | S | 71.7 | Confident | 72.6 | Confident | 18 Ų | 18 | 29.8 Ų | 29.8 | 13% | 0.126 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -35.9 | 177 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | A1184 Q1185 Q1192 | A1184-S1188 PolarHBondContact O-N 3.37Å; A1184-S1188 PolarHBondContact O-OG 2.9Å; Q1185-S1188 WeakPolarHBondContact O-CB 3.46Å; Q1185-S1188 PolarHBondContact O-N 2.92Å; S1188-Q1192 WeakPolarHBondContact O-CG 3.46Å; S1188-Q1192 PolarHBondContact O-N 2.71Å |
| 1189 | A | 71.9 | Confident | 72.4 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -49.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1185 L1186 L1187 A1191 Q1192 A1193 Y1197 V1198 | Q1185-A1189 PolarHBondContact O-N 3.36Å; L1186-A1189 WeakPolarHBondContact O-CB 3.44Å; L1186-A1189 PolarHBondContact O-N 3.13Å; L1187-A1189 VanDerWaalsContact C-N 3.3Å; L1187-A1189 PolarHBondContact O-N 2.87Å; A1189-A1191 VanDerWaalsContact C-N 3.31Å; A1189-A1191 PolarHBondContact O-N 3.01Å; A1189-Q1192 PolarHBondContact O-N 3.38Å; A1189-Q1192 VanDerWaalsContact O-N 3.09Å; A1189-A1193 PolarHBondContact O-N 2.97Å; A1189-Y1197 HydrophobicContact CB-CD1 3.75Å; A1189-V1198 VanDerWaalsContact C-CG2 3.46Å; A1189-V1198 HydrophobicContact CB-CB 4.36Å; A1189-V1198 HydrophobicContact CB-CG2 3.58Å |
| 1190 | G | 72.8 | Confident | 71.7 | Confident | 5 Ų | 5 | 33 Ų | 33 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -35.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1186 L1187 Q1192 A1193 | L1186-G1190 PolarHBondContact O-N 3Å; L1187-G1190 PolarHBondContact O-N 2.95Å; G1190-Q1192 VanDerWaalsContact C-N 3.32Å; G1190-Q1192 PolarHBondContact O-N 3.08Å; G1190-A1193 PolarHBondContact O-N 3.26Å |
| 1191 | A | 68.6 | Low | 71.4 | Confident | 56 Ų | 56 | 32.6 Ų | 32.6 | 46% | 0.463 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.5 | -25.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1187 A1189 | L1187-A1191 WeakPolarHBondContact O-CB 3.42Å; L1187-A1191 PolarHBondContact O-N 3.43Å; A1189-A1191 VanDerWaalsContact C-N 3.31Å; A1189-A1191 PolarHBondContact O-N 3.01Å |
| 1192 | Q | 67.8 | Low | 71.8 | Confident | 78 Ų | 78 | 32.3 Ų | 32.3 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -85.2 | -12.8 | 175.2 | -73.7 | 175.7 | 42.5 | 0 | 0 | 113.5 | S1188 A1189 G1190 D1194 N1623 | S1188-Q1192 WeakPolarHBondContact O-CG 3.46Å; S1188-Q1192 PolarHBondContact O-N 2.71Å; A1189-Q1192 PolarHBondContact O-N 3.38Å; A1189-Q1192 VanDerWaalsContact O-N 3.09Å; G1190-Q1192 VanDerWaalsContact C-N 3.32Å; G1190-Q1192 PolarHBondContact O-N 3.08Å; Q1192-D1194 HydrophobicContact CB-CB 4.47Å; Q1192-D1194 PolarHBondContact O-N 2.93Å; Q1192-N1623 PolarHBondContact NE2-ND2 3.06Å |
| 1193 | A | 67.2 | Low | 71.5 | Confident | 36 Ų | 36 | 34.6 Ų | 34.6 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 31.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1189 G1190 P1195 L1253 P1256 | A1189-A1193 PolarHBondContact O-N 2.97Å; G1190-A1193 PolarHBondContact O-N 3.26Å; A1193-P1195 WeakPolarHBondContact O-CD 3.29Å; A1193-L1253 HydrophobicContact CB-CD2 4.45Å; A1193-P1256 HydrophobicContact CB-CB 3.94Å |
| 1194 | D | 66.4 | Low | 71 | Confident | 43 Ų | 43 | 37.6 Ų | 37.6 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | trans | -92.8 | 104.5 | 177.7 | -171.9 | -23.8 | 0 | 0 | 0 | 109.8 | Q1192 Q1196 Y1197 V1198 R1619 | Q1192-D1194 HydrophobicContact CB-CB 4.47Å; Q1192-D1194 PolarHBondContact O-N 2.93Å; D1194-Q1196 VanDerWaalsContact C-N 3.3Å; D1194-Q1196 PolarHBondContact O-N 3.28Å; D1194-Q1196 PolarHBondContact OD1-N 3.02Å; D1194-Y1197 PolarHBondContact O-N 3.36Å; D1194-V1198 VanDerWaalsContact O-CG2 3.32Å; D1194-V1198 WeakPolarHBondContact O-CG2 3.26Å; D1194-V1198 PolarHBondContact O-N 3.02Å; D1194-R1619 IonicContact OD2-NH2 2.77Å; D1194-R1619 PolarHBondContact OD2-NH2 3.47Å | ||
| 1195 | P | 67.2 | Low | 71.4 | Confident | 76 Ų | 76 | 37.1 Ų | 37.1 | 49% | 0.494 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.2 | -29 | -171.7 | 27.5 | -35.1 | 0 | 0 | 0 | 113.1 | A1193 N1199 | A1193-P1195 WeakPolarHBondContact O-CD 3.29Å; P1195-N1199 WeakPolarHBondContact O-CB 3.34Å; P1195-N1199 VanDerWaalsContact O-CG 3.23Å; P1195-N1199 PolarHBondContact O-N 3.22Å; P1195-N1199 VanDerWaalsContact O-N 3.08Å; P1195-N1199 PolarHBondContact O-OD1 3.49Å |
| 1196 | Q | 63.8 | Low | 71.8 | Confident | 152 Ų | 152 | 36.6 Ų | 36.6 | 71% | 0.71 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -69.2 | -44.4 | 179.4 | -68.7 | -176.4 | -12.7 | 0 | 0 | 110.8 | D1194 N1199 I1200 | D1194-Q1196 VanDerWaalsContact C-N 3.3Å; D1194-Q1196 PolarHBondContact O-N 3.28Å; D1194-Q1196 PolarHBondContact OD1-N 3.02Å; Q1196-N1199 PolarHBondContact O-N 3.38Å; Q1196-I1200 WeakPolarHBondContact O-CG1 3.49Å; Q1196-I1200 PolarHBondContact O-N 3.33Å |
| 1197 | Y | 65.4 | Low | 71.4 | Confident | 36 Ų | 36 | 38.6 Ų | 38.6 | 14% | 0.141 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.9 | -34.3 | -179.2 | -153.1 | -86.1 | 0 | 0 | 0 | 112 | A1189 D1194 N1199 I1200 S1201 G1616 H1620 | A1189-Y1197 HydrophobicContact CB-CD1 3.75Å; D1194-Y1197 PolarHBondContact O-N 3.36Å; Y1197-N1199 VanDerWaalsContact C-N 3.34Å; Y1197-I1200 PolarHBondContact O-N 3.46Å; Y1197-S1201 PolarHBondContact O-N 3.36Å; Y1197-G1616 WeakPolarHBondContact OH-CA 3.48Å; Y1197-G1616 PolarHBondContact OH-O 3.38Å; Y1197-H1620 AromaticContact CE1-CE1 3.93Å; Y1197-H1620 AromaticContact CE1-NE2 3.53Å; Y1197-H1620 AromaticContact CZ-NE2 3.63Å; Y1197-H1620 PolarHBondContact OH-CD2 3.15Å; Y1197-H1620 VanDerWaalsContact OH-CD2 3.31Å; Y1197-H1620 PolarHBondContact OH-NE2 2.88Å |
| 1198 | V | 74.1 | Confident | 71.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 170.9 | 168.1 | 0 | 0 | 0 | 0 | 111.5 | L1131 L1186 A1189 D1194 I1200 A1202 I1249 L1253 | L1131-V1198 HydrophobicContact CD1-CG1 3.75Å; L1131-V1198 HydrophobicContact CD2-CG1 4.27Å; L1131-V1198 HydrophobicContact CG-CG1 4.1Å; L1186-V1198 HydrophobicContact CD1-CG1 4.18Å; A1189-V1198 VanDerWaalsContact C-CG2 3.46Å; A1189-V1198 HydrophobicContact CB-CB 4.36Å; A1189-V1198 HydrophobicContact CB-CG2 3.58Å; D1194-V1198 VanDerWaalsContact O-CG2 3.32Å; D1194-V1198 WeakPolarHBondContact O-CG2 3.26Å; D1194-V1198 PolarHBondContact O-N 3.02Å; V1198-I1200 PolarHBondContact O-N 2.93Å; V1198-A1202 WeakPolarHBondContact O-CB 3.43Å; V1198-A1202 PolarHBondContact O-N 2.74Å; V1198-I1249 HydrophobicContact CG1-CG2 3.53Å; V1198-I1249 HydrophobicContact CG2-CG2 4.32Å; V1198-L1253 HydrophobicContact CB-CD1 4.44Å; V1198-L1253 HydrophobicContact CG1-CD1 4.04Å; V1198-L1253 HydrophobicContact CG2-CD2 4.4Å |
| 1199 | N | 71.4 | Confident | 72.1 | Confident | 21 Ų | 21 | 36.7 Ų | 36.7 | 11% | 0.112 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 178.2 | -78.6 | 11.4 | 0 | 0 | 0 | 112.2 | G1128 V1129 P1195 Q1196 Y1197 Q1203 | G1128-N1199 PolarHBondContact O-ND2 3.09Å; G1128-N1199 VanDerWaalsContact O-ND2 3.11Å; V1129-N1199 WeakPolarHBondContact O-CA 3.39Å; V1129-N1199 WeakPolarHBondContact O-CB 3.46Å; V1129-N1199 PolarHBondContact O-ND2 3.38Å; V1129-N1199 PolarHBondContact O-OD1 3.36Å; P1195-N1199 WeakPolarHBondContact O-CB 3.34Å; P1195-N1199 VanDerWaalsContact O-CG 3.23Å; P1195-N1199 PolarHBondContact O-N 3.22Å; P1195-N1199 VanDerWaalsContact O-N 3.08Å; P1195-N1199 PolarHBondContact O-OD1 3.49Å; Q1196-N1199 PolarHBondContact O-N 3.38Å; Y1197-N1199 VanDerWaalsContact C-N 3.34Å; N1199-Q1203 PolarHBondContact O-N 2.85Å |
| 1200 | I | 66.6 | Low | 72.7 | Confident | 85 Ų | 85 | 40.7 Ų | 40.7 | 44% | 0.436 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -54.2 | 176.1 | -65.5 | 165.7 | 0 | 0 | 0 | 110.7 | Q1196 Y1197 V1198 A1202 Q1203 E1204 | Q1196-I1200 WeakPolarHBondContact O-CG1 3.49Å; Q1196-I1200 PolarHBondContact O-N 3.33Å; Y1197-I1200 PolarHBondContact O-N 3.46Å; V1198-I1200 PolarHBondContact O-N 2.93Å; I1200-A1202 PolarHBondContact O-N 3.43Å; I1200-Q1203 WeakPolarHBondContact O-CA 3.28Å; I1200-Q1203 WeakPolarHBondContact O-CB 3.38Å; I1200-Q1203 PolarHBondContact O-N 3.39Å; I1200-E1204 PolarHBondContact O-N 2.95Å |
| 1201 | S | 72.1 | Confident | 73 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.4 | -19.8 | -179.8 | -64.7 | 0 | 0 | 0 | 0 | 113.9 | Y1197 E1204 V1205 | Y1197-S1201 PolarHBondContact O-N 3.36Å; S1201-E1204 VanDerWaalsContact CA-OE2 3.24Å; S1201-E1204 WeakPolarHBondContact CA-OE2 3.43Å; S1201-E1204 WeakPolarHBondContact CB-OE2 3.38Å; S1201-E1204 PolarHBondContact OG-OE2 3.5Å; S1201-V1205 WeakPolarHBondContact O-CG2 3.32Å; S1201-V1205 PolarHBondContact O-N 3.46Å; S1201-V1205 VanDerWaalsContact O-N 3.1Å |
| 1202 | A | 77.8 | Confident | 73.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.6 | -39.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1131 A1134 L1186 V1198 I1200 T1206 F1246 | L1131-A1202 HydrophobicContact CD2-CB 4.33Å; A1134-A1202 HydrophobicContact CB-CB 4.09Å; L1186-A1202 HydrophobicContact CD1-CB 4.24Å; V1198-A1202 WeakPolarHBondContact O-CB 3.43Å; V1198-A1202 PolarHBondContact O-N 2.74Å; I1200-A1202 PolarHBondContact O-N 3.43Å; A1202-T1206 WeakPolarHBondContact O-CB 3.32Å; A1202-T1206 PolarHBondContact O-N 3.11Å; A1202-T1206 VanDerWaalsContact O-N 3.1Å; A1202-T1206 PolarHBondContact O-OG1 2.88Å; A1202-T1206 VanDerWaalsContact O-OG1 3.08Å; A1202-F1246 HydrophobicContact CB-CD1 4.16Å; A1202-F1246 HydrophobicContact CB-CE1 3.53Å; A1202-F1246 HydrophobicContact CB-CZ 4.23Å |
| 1203 | Q | 71.5 | Confident | 74.6 | Confident | 53 Ų | 53 | 40 Ų | 40 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 171.7 | -172.9 | -175.5 | -20.9 | 0 | 0 | 111.3 | V1129 N1199 I1200 V1205 T1206 D1207 | V1129-Q1203 HydrophobicContact CB-CB 4.43Å; V1129-Q1203 HydrophobicContact CG2-CB 4.25Å; V1129-Q1203 HydrophobicContact CG2-CG 4.24Å; N1199-Q1203 PolarHBondContact O-N 2.85Å; I1200-Q1203 WeakPolarHBondContact O-CA 3.28Å; I1200-Q1203 WeakPolarHBondContact O-CB 3.38Å; I1200-Q1203 PolarHBondContact O-N 3.39Å; Q1203-V1205 VanDerWaalsContact C-N 3.34Å; Q1203-V1205 PolarHBondContact O-N 3.24Å; Q1203-T1206 PolarHBondContact O-N 3.45Å; Q1203-D1207 WeakPolarHBondContact CG-OD2 3.36Å; Q1203-D1207 PolarHBondContact NE2-OD2 3.37Å; Q1203-D1207 PolarHBondContact O-N 2.97Å |
| 1204 | E | 71.4 | Confident | 75.1 | Confident | 66 Ų | 66 | 43.1 Ų | 43.1 | 31% | 0.308 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55.9 | -44.6 | 177.8 | -66.4 | 169.3 | 157.9 | 0 | 0 | 112.3 | I1200 S1201 S1208 | I1200-E1204 PolarHBondContact O-N 2.95Å; S1201-E1204 VanDerWaalsContact CA-OE2 3.24Å; S1201-E1204 WeakPolarHBondContact CA-OE2 3.43Å; S1201-E1204 WeakPolarHBondContact CB-OE2 3.38Å; S1201-E1204 PolarHBondContact OG-OE2 3.5Å; E1204-S1208 VanDerWaalsContact O-CB 3.27Å; E1204-S1208 WeakPolarHBondContact O-CB 3.37Å; E1204-S1208 PolarHBondContact O-N 3.02Å; E1204-S1208 PolarHBondContact O-OG 2.85Å |
| 1205 | V | 82 | Confident | 75.7 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 173.7 | 167.7 | 0 | 0 | 0 | 0 | 111 | S1182 V1183 L1186 S1201 Q1203 S1208 L1209 F1246 | S1182-V1205 WeakPolarHBondContact O-CG2 3.41Å; V1183-V1205 HydrophobicContact CG2-CG1 4.44Å; V1183-V1205 HydrophobicContact CG2-CG2 4.1Å; L1186-V1205 HydrophobicContact CB-CG2 4.29Å; L1186-V1205 HydrophobicContact CD2-CG2 3.91Å; S1201-V1205 WeakPolarHBondContact O-CG2 3.32Å; S1201-V1205 PolarHBondContact O-N 3.46Å; S1201-V1205 VanDerWaalsContact O-N 3.1Å; Q1203-V1205 VanDerWaalsContact C-N 3.34Å; Q1203-V1205 PolarHBondContact O-N 3.24Å; V1205-S1208 PolarHBondContact O-N 3.36Å; V1205-L1209 HydrophobicContact CG1-CD1 3.85Å; V1205-L1209 HydrophobicContact CG1-CG 4.37Å; V1205-L1209 VanDerWaalsContact O-CG 3.23Å; V1205-L1209 WeakPolarHBondContact O-CG 3.33Å; V1205-L1209 PolarHBondContact O-N 3.09Å; V1205-F1246 HydrophobicContact CB-CZ 4.08Å; V1205-F1246 HydrophobicContact CG1-CE1 4.46Å; V1205-F1246 HydrophobicContact CG1-CZ 3.79Å |
| 1206 | T | 80.7 | Confident | 76.5 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.2 | -40.8 | -177.6 | -68 | 0 | 0 | 0 | 0 | 113 | M1137 A1202 Q1203 L1209 R1210 | M1137-T1206 HydrophobicContact CB-CG2 3.62Å; M1137-T1206 HydrophobicContact CG-CG2 3.18Å; A1202-T1206 WeakPolarHBondContact O-CB 3.32Å; A1202-T1206 PolarHBondContact O-N 3.11Å; A1202-T1206 VanDerWaalsContact O-N 3.1Å; A1202-T1206 PolarHBondContact O-OG1 2.88Å; A1202-T1206 VanDerWaalsContact O-OG1 3.08Å; Q1203-T1206 PolarHBondContact O-N 3.45Å; T1206-L1209 PolarHBondContact O-N 3.47Å; T1206-R1210 PolarHBondContact O-N 3.28Å; T1206-R1210 VanDerWaalsContact O-N 3.13Å |
| 1207 | D | 70.5 | Confident | 77.3 | Confident | 43 Ų | 43 | 31.2 Ų | 31.2 | 23% | 0.23 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.3 | -36.9 | 175.7 | -69 | -31.2 | 0 | 0 | 0 | 111.2 | Q1203 L1209 R1210 Q1211 | Q1203-D1207 WeakPolarHBondContact CG-OD2 3.36Å; Q1203-D1207 PolarHBondContact NE2-OD2 3.37Å; Q1203-D1207 PolarHBondContact O-N 2.97Å; D1207-L1209 PolarHBondContact O-N 3.27Å; D1207-R1210 WeakPolarHBondContact O-CB 3.29Å; D1207-R1210 PolarHBondContact O-N 3.28Å; D1207-R1210 IonicContact OD1-CZ 3.16Å; D1207-R1210 IonicContact OD1-NH1 3.77Å; D1207-R1210 PolarHBondContact OD1-NH1 3.16Å; D1207-R1210 IonicContact OD1-NH2 2.77Å; D1207-R1210 PolarHBondContact OD1-NH2 3.29Å; D1207-Q1211 PolarHBondContact O-N 3.43Å; D1207-Q1211 VanDerWaalsContact O-N 3.07Å |
| 1208 | S | 79.5 | Confident | 77.8 | Confident | 13 Ų | 13 | 29.5 Ų | 29.5 | 9% | 0.091 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -37.6 | 172.9 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | V1178 V1179 S1182 E1204 V1205 R1210 Q1211 L1212 | V1178-S1208 WeakPolarHBondContact CG1-OG 3.44Å; V1179-S1208 WeakPolarHBondContact CG2-O 3.28Å; S1182-S1208 PolarHBondContact OG-OG 3.48Å; E1204-S1208 VanDerWaalsContact O-CB 3.27Å; E1204-S1208 WeakPolarHBondContact O-CB 3.37Å; E1204-S1208 PolarHBondContact O-N 3.02Å; E1204-S1208 PolarHBondContact O-OG 2.85Å; V1205-S1208 PolarHBondContact O-N 3.36Å; S1208-R1210 VanDerWaalsContact C-N 3.34Å; S1208-Q1211 PolarHBondContact O-N 2.95Å; S1208-L1212 PolarHBondContact O-N 3.35Å |
| 1209 | L | 86.2 | Confident | 78 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -34.6 | 173.8 | -70.6 | 167.5 | 0 | 0 | 0 | 111.9 | V1138 L1141 V1179 V1205 T1206 D1207 L1212 I1213 V1238 M1239 | V1138-L1209 HydrophobicContact CG2-CD1 3.89Å; L1141-L1209 HydrophobicContact CD1-CB 3.93Å; V1179-L1209 HydrophobicContact CG1-CD2 3.85Å; V1179-L1209 HydrophobicContact CG1-CG 4.38Å; V1179-L1209 HydrophobicContact CG2-CD2 4.28Å; V1205-L1209 HydrophobicContact CG1-CD1 3.85Å; V1205-L1209 HydrophobicContact CG1-CG 4.37Å; V1205-L1209 VanDerWaalsContact O-CG 3.23Å; V1205-L1209 WeakPolarHBondContact O-CG 3.33Å; V1205-L1209 PolarHBondContact O-N 3.09Å; T1206-L1209 PolarHBondContact O-N 3.47Å; D1207-L1209 PolarHBondContact O-N 3.27Å; L1209-L1212 HydrophobicContact CD2-CD2 4.44Å; L1209-L1212 WeakPolarHBondContact O-CB 3.36Å; L1209-L1212 PolarHBondContact O-N 3.42Å; L1209-I1213 WeakPolarHBondContact O-CG1 3.31Å; L1209-I1213 PolarHBondContact O-N 3.17Å; L1209-I1213 VanDerWaalsContact O-N 3.08Å; L1209-V1238 HydrophobicContact CD2-CG1 3.74Å; L1209-M1239 HydrophobicContact CB-CE 4.05Å; L1209-M1239 HydrophobicContact CB-SD 4.17Å; L1209-M1239 HydrophobicContact CD1-SD 4.28Å; L1209-M1239 HydrophobicContact CD2-CE 3.63Å; L1209-M1239 HydrophobicContact CD2-SD 3.99Å; L1209-M1239 HydrophobicContact CG-CE 4.35Å; L1209-M1239 HydrophobicContact CG-SD 4.37Å |
| 1210 | R | 82.9 | Confident | 78.4 | Confident | 86 Ų | 86 | 29.1 Ų | 29.1 | 33% | 0.325 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 172.4 | -164.9 | -177.4 | -52.3 | 114.7 | 19.2 | 111.4 | L1141 T1206 D1207 S1208 L1212 I1213 Y1214 | L1141-R1210 HydrophobicContact CD1-CB 4.36Å; L1141-R1210 HydrophobicContact CD2-CB 4.12Å; L1141-R1210 HydrophobicContact CD2-CG 4Å; T1206-R1210 PolarHBondContact O-N 3.28Å; T1206-R1210 VanDerWaalsContact O-N 3.13Å; D1207-R1210 WeakPolarHBondContact O-CB 3.29Å; D1207-R1210 PolarHBondContact O-N 3.28Å; D1207-R1210 IonicContact OD1-CZ 3.16Å; D1207-R1210 IonicContact OD1-NH1 3.77Å; D1207-R1210 PolarHBondContact OD1-NH1 3.16Å; D1207-R1210 IonicContact OD1-NH2 2.77Å; D1207-R1210 PolarHBondContact OD1-NH2 3.29Å; S1208-R1210 VanDerWaalsContact C-N 3.34Å; R1210-L1212 VanDerWaalsContact C-N 3.32Å; R1210-L1212 PolarHBondContact O-N 3.28Å; R1210-I1213 PolarHBondContact O-N 3.25Å; R1210-Y1214 PolarHBondContact O-N 3.46Å |
| 1211 | Q | 79.4 | Confident | 78.8 | Confident | 119 Ų | 119 | 26 Ų | 26 | 56% | 0.556 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -64.1 | -34.9 | 175 | -67.8 | -65.8 | -10.4 | 0 | 0 | 112.9 | D1207 S1208 S1215 | D1207-Q1211 PolarHBondContact O-N 3.43Å; D1207-Q1211 VanDerWaalsContact O-N 3.07Å; S1208-Q1211 PolarHBondContact O-N 2.95Å; Q1211-S1215 WeakPolarHBondContact O-CB 3.27Å; Q1211-S1215 PolarHBondContact O-N 3.28Å; Q1211-S1215 PolarHBondContact O-OG 2.96Å |
| 1212 | L | 85.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.2 | -48.2 | 173.3 | -175.4 | 69.9 | 0 | 0 | 0 | 111.2 | L1172 A1175 V1179 S1208 L1209 R1210 S1215 V1216 V1238 M1239 L1276 | L1172-L1212 HydrophobicContact CD1-CD1 3.86Å; A1175-L1212 HydrophobicContact CB-CB 4.49Å; A1175-L1212 HydrophobicContact CB-CD1 4.29Å; V1179-L1212 HydrophobicContact CG2-CB 4.37Å; S1208-L1212 PolarHBondContact O-N 3.35Å; L1209-L1212 HydrophobicContact CD2-CD2 4.44Å; L1209-L1212 WeakPolarHBondContact O-CB 3.36Å; L1209-L1212 PolarHBondContact O-N 3.42Å; R1210-L1212 VanDerWaalsContact C-N 3.32Å; R1210-L1212 PolarHBondContact O-N 3.28Å; L1212-S1215 WeakPolarHBondContact O-CB 3.15Å; L1212-S1215 PolarHBondContact O-N 2.93Å; L1212-V1216 VanDerWaalsContact O-CG2 3.29Å; L1212-V1216 WeakPolarHBondContact O-CG2 3.46Å; L1212-V1216 PolarHBondContact O-N 3.12Å; L1212-V1238 HydrophobicContact CD2-CG1 4.03Å; L1212-M1239 HydrophobicContact CD2-CE 4.4Å; L1212-L1276 HydrophobicContact CD2-CD2 3.9Å |
| 1213 | I | 84.9 | Confident | 78.6 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | -179.8 | -71.2 | 164.7 | 0 | 0 | 0 | 111.9 | L1141 L1145 I1148 L1209 R1210 S1215 V1216 R1217 M1239 | L1141-I1213 HydrophobicContact CB-CD1 3.51Å; L1141-I1213 HydrophobicContact CD1-CD1 4.25Å; L1141-I1213 HydrophobicContact CD2-CD1 3.81Å; L1141-I1213 HydrophobicContact CG-CD1 4.03Å; L1141-I1213 WeakPolarHBondContact O-CD1 3.32Å; L1145-I1213 HydrophobicContact CD1-CD1 3.88Å; L1145-I1213 HydrophobicContact CD1-CG1 3.92Å; L1145-I1213 HydrophobicContact CD2-CG1 4.1Å; L1145-I1213 HydrophobicContact CD2-CG2 4.38Å; L1145-I1213 HydrophobicContact CG-CD1 3.94Å; L1145-I1213 HydrophobicContact CG-CG1 3.83Å; L1145-I1213 HydrophobicContact CG-CG2 4.3Å; I1148-I1213 HydrophobicContact CD1-CG2 3.73Å; L1209-I1213 WeakPolarHBondContact O-CG1 3.31Å; L1209-I1213 PolarHBondContact O-N 3.17Å; L1209-I1213 VanDerWaalsContact O-N 3.08Å; R1210-I1213 PolarHBondContact O-N 3.25Å; I1213-S1215 VanDerWaalsContact C-N 3.31Å; I1213-S1215 PolarHBondContact O-N 2.89Å; I1213-V1216 PolarHBondContact O-N 3.03Å; I1213-R1217 PolarHBondContact O-N 3.29Å; I1213-M1239 HydrophobicContact CD1-CE 3.56Å; I1213-M1239 HydrophobicContact CD1-SD 4.07Å; I1213-M1239 HydrophobicContact CG1-CE 3.79Å |
| 1214 | Y | 77.6 | Confident | 78.3 | Confident | 101 Ų | 101 | 30.7 Ų | 30.7 | 40% | 0.396 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.4 | -46.5 | 172.6 | -179 | -96 | 0 | 0 | 0 | 111.2 | R1210 V1216 R1217 T1218 | R1210-Y1214 PolarHBondContact O-N 3.46Å; Y1214-V1216 PolarHBondContact O-N 3.49Å; Y1214-R1217 PolarHBondContact O-N 2.98Å; Y1214-T1218 HydrophobicContact CD1-CG2 4.23Å; Y1214-T1218 HydrophobicContact CE1-CG2 3.76Å; Y1214-T1218 WeakPolarHBondContact O-CG2 3.46Å; Y1214-T1218 PolarHBondContact O-N 3.47Å |
| 1215 | S | 79.4 | Confident | 78 | Confident | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | 177.4 | -58.7 | 0 | 0 | 0 | 0 | 112 | Q1211 L1212 I1213 R1217 T1218 V1219 | Q1211-S1215 WeakPolarHBondContact O-CB 3.27Å; Q1211-S1215 PolarHBondContact O-N 3.28Å; Q1211-S1215 PolarHBondContact O-OG 2.96Å; L1212-S1215 WeakPolarHBondContact O-CB 3.15Å; L1212-S1215 PolarHBondContact O-N 2.93Å; I1213-S1215 VanDerWaalsContact C-N 3.31Å; I1213-S1215 PolarHBondContact O-N 2.89Å; S1215-R1217 PolarHBondContact O-N 3.36Å; S1215-T1218 PolarHBondContact O-N 3.48Å; S1215-T1218 VanDerWaalsContact O-N 3.15Å; S1215-T1218 PolarHBondContact O-OG1 2.97Å; S1215-V1219 WeakPolarHBondContact O-CG2 3.48Å; S1215-V1219 PolarHBondContact O-N 3.01Å |
| 1216 | V | 83.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58 | -46.7 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | L1172 L1212 I1213 Y1214 T1218 V1219 C1220 L1231 I1232 C1235 | L1172-V1216 HydrophobicContact CD1-CG2 3.77Å; L1212-V1216 VanDerWaalsContact O-CG2 3.29Å; L1212-V1216 WeakPolarHBondContact O-CG2 3.46Å; L1212-V1216 PolarHBondContact O-N 3.12Å; I1213-V1216 PolarHBondContact O-N 3.03Å; Y1214-V1216 PolarHBondContact O-N 3.49Å; V1216-T1218 VanDerWaalsContact C-N 3.34Å; V1216-T1218 PolarHBondContact O-N 2.85Å; V1216-V1219 PolarHBondContact O-N 3.44Å; V1216-C1220 WeakPolarHBondContact O-CB 2.99Å; V1216-C1220 PolarHBondContact O-N 3.29Å; V1216-C1220 PolarHBondContact O-SG 2.9Å; V1216-C1220 VanDerWaalsContact O-SG 3.4Å; V1216-L1231 HydrophobicContact CG1-CD2 4.07Å; V1216-L1231 HydrophobicContact CG1-CG 4.13Å; V1216-L1231 HydrophobicContact CG2-CD2 4.43Å; V1216-L1231 HydrophobicContact CG2-CG 4.44Å; V1216-I1232 HydrophobicContact CG1-CG1 4.17Å; V1216-C1235 WeakPolarHBondContact CG2-SG 3.43Å |
| 1217 | R | 80.4 | Confident | 77 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 6% | 0.064 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56 | -48 | 174 | -178.9 | -172.8 | 168 | -93.3 | -0.5 | 111.3 | D611 I1148 L1157 R1158 I1213 Y1214 S1215 V1219 C1220 A1221 | D611-R1217 IonicContact OD2-CZ 2.8Å; D611-R1217 IonicContact OD2-NE 2.85Å; D611-R1217 IonicContact OD2-NH2 3.15Å; D611-R1217 PolarHBondContact OD2-NH2 3.29Å; I1148-R1217 HydrophobicContact CD1-CB 4.15Å; L1157-R1217 HydrophobicContact CD2-CG 4.25Å; R1158-R1217 PolarHBondContact O-NH2 3.11Å; I1213-R1217 PolarHBondContact O-N 3.29Å; Y1214-R1217 PolarHBondContact O-N 2.98Å; S1215-R1217 PolarHBondContact O-N 3.36Å; R1217-V1219 VanDerWaalsContact C-N 3.31Å; R1217-V1219 PolarHBondContact O-N 2.84Å; R1217-C1220 PolarHBondContact O-N 3.33Å; R1217-A1221 WeakPolarHBondContact O-CB 3.27Å; R1217-A1221 PolarHBondContact O-N 2.95Å |
| 1218 | T | 76.8 | Confident | 77.2 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.1 | -33 | -178 | 64.4 | 0 | 0 | 0 | 0 | 113 | D1163 Y1214 S1215 V1216 N1222 | D1163-T1218 WeakPolarHBondContact OD2-CG2 3.36Å; Y1214-T1218 HydrophobicContact CD1-CG2 4.23Å; Y1214-T1218 HydrophobicContact CE1-CG2 3.76Å; Y1214-T1218 WeakPolarHBondContact O-CG2 3.46Å; Y1214-T1218 PolarHBondContact O-N 3.47Å; S1215-T1218 PolarHBondContact O-N 3.48Å; S1215-T1218 VanDerWaalsContact O-N 3.15Å; S1215-T1218 PolarHBondContact O-OG1 2.97Å; V1216-T1218 VanDerWaalsContact C-N 3.34Å; V1216-T1218 PolarHBondContact O-N 2.85Å; T1218-N1222 WeakPolarHBondContact O-CB 3.19Å; T1218-N1222 PolarHBondContact O-N 3.28Å; T1218-N1222 PolarHBondContact O-ND2 2.95Å |
| 1219 | V | 78.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72 | -47.6 | 175.1 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | A1168 L1172 S1215 V1216 R1217 A1221 N1222 V1223 L1226 L1231 L1283 | A1168-V1219 VanDerWaalsContact C-CG2 3.49Å; A1168-V1219 HydrophobicContact CB-CG2 3.73Å; A1168-V1219 WeakPolarHBondContact O-CG2 3.39Å; L1172-V1219 HydrophobicContact CB-CG2 4.13Å; L1172-V1219 HydrophobicContact CD2-CG2 4.15Å; S1215-V1219 WeakPolarHBondContact O-CG2 3.48Å; S1215-V1219 PolarHBondContact O-N 3.01Å; V1216-V1219 PolarHBondContact O-N 3.44Å; R1217-V1219 VanDerWaalsContact C-N 3.31Å; R1217-V1219 PolarHBondContact O-N 2.84Å; V1219-A1221 PolarHBondContact O-N 3.24Å; V1219-N1222 PolarHBondContact O-N 3.36Å; V1219-N1222 VanDerWaalsContact O-N 3.15Å; V1219-V1223 HydrophobicContact CG1-CB 4.44Å; V1219-V1223 HydrophobicContact CG1-CG2 4.03Å; V1219-V1223 PolarHBondContact O-N 3.33Å; V1219-L1226 HydrophobicContact CG1-CD2 3.81Å; V1219-L1231 HydrophobicContact CB-CD2 4.5Å; V1219-L1231 HydrophobicContact CG1-CD2 4.13Å; V1219-L1283 HydrophobicContact CG1-CD2 4.21Å |
| 1220 | C | 78.8 | Confident | 77.2 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 8% | 0.081 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -25 | 177.5 | -70.7 | 0 | 0 | 0 | 0 | 113.7 | Y1152 L1157 V1216 R1217 | Y1152-C1220 HydrophobicContact CD2-CB 4.01Å; Y1152-C1220 HydrophobicContact CE2-CB 4.3Å; L1157-C1220 HydrophobicContact CD1-CB 4.29Å; V1216-C1220 WeakPolarHBondContact O-CB 2.99Å; V1216-C1220 PolarHBondContact O-N 3.29Å; V1216-C1220 PolarHBondContact O-SG 2.9Å; V1216-C1220 VanDerWaalsContact O-SG 3.4Å; R1217-C1220 PolarHBondContact O-N 3.33Å |
| 1221 | A | 75.3 | Confident | 77.2 | Confident | 21 Ų | 21 | 43 Ų | 43 | 17% | 0.174 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -86.6 | -21.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1157 P1159 R1217 V1219 | L1157-A1221 HydrophobicContact CB-CB 4.44Å; P1159-A1221 HydrophobicContact CB-CB 4.34Å; R1217-A1221 WeakPolarHBondContact O-CB 3.27Å; R1217-A1221 PolarHBondContact O-N 2.95Å; V1219-A1221 PolarHBondContact O-N 3.24Å |
| 1222 | N | 73.6 | Confident | 77.4 | Confident | 44 Ų | 44 | 37.4 Ų | 37.4 | 24% | 0.235 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -110.3 | -26.8 | -173.4 | -85.8 | -46.4 | 0 | 0 | 0 | 115.1 | P1159 D1163 A1165 T1218 V1219 | P1159-N1222 VanDerWaalsContact CB-OD1 3.31Å; P1159-N1222 WeakPolarHBondContact CB-OD1 3.32Å; D1163-N1222 PolarHBondContact O-ND2 3.03Å; D1163-N1222 VanDerWaalsContact O-ND2 3.08Å; D1163-N1222 PolarHBondContact O-OD1 3.47Å; A1165-N1222 HydrophobicContact CB-CB 4.17Å; T1218-N1222 WeakPolarHBondContact O-CB 3.19Å; T1218-N1222 PolarHBondContact O-N 3.28Å; T1218-N1222 PolarHBondContact O-ND2 2.95Å; V1219-N1222 PolarHBondContact O-N 3.36Å; V1219-N1222 VanDerWaalsContact O-N 3.15Å |
| 1223 | V | 73.3 | Confident | 77.4 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 13% | 0.127 | 22% | 0.222 | C | C | . | . | trans | -103.8 | 94.9 | -171.3 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | A1165 V1219 E1225 L1226 P1284 | A1165-V1223 HydrophobicContact CB-CG2 4.27Å; V1219-V1223 HydrophobicContact CG1-CB 4.44Å; V1219-V1223 HydrophobicContact CG1-CG2 4.03Å; V1219-V1223 PolarHBondContact O-N 3.33Å; V1223-E1225 VanDerWaalsContact C-N 3.26Å; V1223-E1225 PolarHBondContact O-N 3.48Å; V1223-L1226 HydrophobicContact CB-CB 4.25Å; V1223-L1226 HydrophobicContact CG1-CB 3.97Å; V1223-L1226 PolarHBondContact O-N 2.87Å; V1223-P1284 HydrophobicContact CG1-CG 4.37Å | ||
| 1224 | G | 64.4 | Low | 77.4 | Confident | 85 Ų | 85 | 42.8 Ų | 42.8 | 88% | 0.876 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1225 | E | 64.4 | Low | 77.8 | Confident | 179 Ų | 179 | 38 Ų | 38 | 84% | 0.836 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -0.5 | -179.9 | -64 | -177.4 | 154.5 | 0 | 0 | 113.5 | V1223 | V1223-E1225 VanDerWaalsContact C-N 3.26Å; V1223-E1225 PolarHBondContact O-N 3.48Å |
| 1226 | L | 69.1 | Low | 78.2 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -85.6 | 137.9 | -178.2 | -165.8 | 86.6 | 0 | 0 | 0 | 112.2 | Y1152 V1219 V1223 G1228 L1231 C1282 | Y1152-L1226 PolarHBondContact OH-O 3.19Å; Y1152-L1226 VanDerWaalsContact OH-O 3.14Å; V1219-L1226 HydrophobicContact CG1-CD2 3.81Å; V1223-L1226 HydrophobicContact CB-CB 4.25Å; V1223-L1226 HydrophobicContact CG1-CB 3.97Å; V1223-L1226 PolarHBondContact O-N 2.87Å; L1226-G1228 VanDerWaalsContact C-N 3.33Å; L1226-G1228 PolarHBondContact O-N 3.31Å; L1226-L1231 HydrophobicContact CD2-CB 4.22Å; L1226-L1231 HydrophobicContact CD2-CD2 3.78Å; L1226-C1282 HydrophobicContact CD1-CB 4.47Å; L1226-C1282 WeakPolarHBondContact CD1-O 3.43Å |
| 1227 | D | 74.1 | Confident | 78.3 | Confident | 98 Ų | 98 | 44 Ų | 44 | 52% | 0.524 | 24% | 0.237 | S | C | . | . | trans | -73.7 | 86 | 160.9 | -175.9 | -1.2 | 0 | 0 | 0 | 110.1 | N1229 R1230 L1231 | D1227-N1229 VanDerWaalsContact C-N 3.29Å; D1227-N1229 PolarHBondContact O-N 3.22Å; D1227-N1229 PolarHBondContact OD1-N 2.88Å; D1227-R1230 HydrophobicContact CB-CB 4.17Å; D1227-R1230 PolarHBondContact O-N 3Å; D1227-R1230 PolarHBondContact OD1-N 3.04Å; D1227-R1230 WeakPolarHBondContact OD2-CB 3.43Å; D1227-L1231 PolarHBondContact O-N 3.43Å | ||
| 1228 | G | 74.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.9 | -28.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1152 L1226 L1231 I1232 | Y1152-G1228 PolarHBondContact OH-N 3.33Å; Y1152-G1228 VanDerWaalsContact OH-N 3.09Å; L1226-G1228 VanDerWaalsContact C-N 3.33Å; L1226-G1228 PolarHBondContact O-N 3.31Å; G1228-L1231 PolarHBondContact O-N 2.9Å; G1228-I1232 WeakPolarHBondContact O-CD1 3.45Å; G1228-I1232 VanDerWaalsContact O-CG1 3.26Å; G1228-I1232 WeakPolarHBondContact O-CG1 3.37Å; G1228-I1232 PolarHBondContact O-N 3.32Å |
| 1229 | N | 81.7 | Confident | 79.3 | Confident | 43 Ų | 43 | 43.2 Ų | 43.2 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 175.1 | -81.6 | -47.3 | 0 | 0 | 0 | 110.6 | N1153 D1227 L1231 I1232 D1233 | N1153-N1229 PolarHBondContact ND2-OD1 3.49Å; N1153-N1229 VanDerWaalsContact ND2-OD1 3.13Å; N1153-N1229 PolarHBondContact OD1-ND2 3.41Å; N1153-N1229 PolarHBondContact OD1-OD1 3.09Å; D1227-N1229 VanDerWaalsContact C-N 3.29Å; D1227-N1229 PolarHBondContact O-N 3.22Å; D1227-N1229 PolarHBondContact OD1-N 2.88Å; N1229-L1231 VanDerWaalsContact C-N 3.33Å; N1229-L1231 PolarHBondContact O-N 3.33Å; N1229-I1232 PolarHBondContact O-N 2.91Å; N1229-D1233 PolarHBondContact O-N 2.91Å |
| 1230 | R | 82.6 | Confident | 79.6 | Confident | 139 Ų | 139 | 46.5 Ų | 46.5 | 53% | 0.525 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 175.8 | -179.2 | 177.6 | 173.8 | -166 | -6.1 | 113.1 | D1227 L1234 | D1227-R1230 HydrophobicContact CB-CB 4.17Å; D1227-R1230 PolarHBondContact O-N 3Å; D1227-R1230 PolarHBondContact OD1-N 3.04Å; D1227-R1230 WeakPolarHBondContact OD2-CB 3.43Å; R1230-L1234 HydrophobicContact CG-CD1 4.44Å; R1230-L1234 VanDerWaalsContact O-CG 3.32Å; R1230-L1234 WeakPolarHBondContact O-CG 3.49Å; R1230-L1234 PolarHBondContact O-N 2.98Å |
| 1231 | L | 83.2 | Confident | 80.1 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 174.4 | 178.8 | 61 | 0 | 0 | 0 | 111.1 | L1172 V1216 V1219 L1226 D1227 G1228 N1229 L1234 C1235 C1279 | L1172-L1231 HydrophobicContact CD2-CD1 4.36Å; L1172-L1231 HydrophobicContact CD2-CD2 4.28Å; V1216-L1231 HydrophobicContact CG1-CD2 4.07Å; V1216-L1231 HydrophobicContact CG1-CG 4.13Å; V1216-L1231 HydrophobicContact CG2-CD2 4.43Å; V1216-L1231 HydrophobicContact CG2-CG 4.44Å; V1219-L1231 HydrophobicContact CB-CD2 4.5Å; V1219-L1231 HydrophobicContact CG1-CD2 4.13Å; L1226-L1231 HydrophobicContact CD2-CB 4.22Å; L1226-L1231 HydrophobicContact CD2-CD2 3.78Å; D1227-L1231 PolarHBondContact O-N 3.43Å; G1228-L1231 PolarHBondContact O-N 2.9Å; N1229-L1231 VanDerWaalsContact C-N 3.33Å; N1229-L1231 PolarHBondContact O-N 3.33Å; L1231-L1234 PolarHBondContact O-N 3.32Å; L1231-C1235 PolarHBondContact O-N 3.03Å; L1231-C1235 PolarHBondContact O-SG 2.9Å; L1231-C1279 HydrophobicContact CD1-CB 3.99Å |
| 1232 | I | 84.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.6 | -45 | 179.5 | -68.4 | 166.2 | 0 | 0 | 0 | 111.2 | L1145 I1148 Q1149 V1216 G1228 N1229 L1234 C1235 R1236 | L1145-I1232 HydrophobicContact CD2-CG2 4.42Å; I1148-I1232 HydrophobicContact CG2-CD1 4.03Å; Q1149-I1232 HydrophobicContact CB-CD1 4.37Å; Q1149-I1232 HydrophobicContact CB-CG2 4Å; Q1149-I1232 HydrophobicContact CG-CG2 4.06Å; V1216-I1232 HydrophobicContact CG1-CG1 4.17Å; G1228-I1232 WeakPolarHBondContact O-CD1 3.45Å; G1228-I1232 VanDerWaalsContact O-CG1 3.26Å; G1228-I1232 WeakPolarHBondContact O-CG1 3.37Å; G1228-I1232 PolarHBondContact O-N 3.32Å; N1229-I1232 PolarHBondContact O-N 2.91Å; I1232-L1234 VanDerWaalsContact C-N 3.32Å; I1232-L1234 PolarHBondContact O-N 2.91Å; I1232-C1235 PolarHBondContact O-N 3.4Å; I1232-R1236 WeakPolarHBondContact O-CG 3.34Å; I1232-R1236 PolarHBondContact O-N 3.04Å |
| 1233 | D | 84.8 | Confident | 81.3 | Confident | 85 Ų | 85 | 46 Ų | 46 | 46% | 0.455 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.2 | -38.9 | 178.2 | -70.3 | -19.4 | 0 | 0 | 0 | 112.2 | Q1149 N1229 R1236 D1237 | Q1149-D1233 PolarHBondContact NE2-OD1 3.42Å; N1229-D1233 PolarHBondContact O-N 2.91Å; D1233-R1236 PolarHBondContact O-N 3.16Å; D1233-D1237 PolarHBondContact O-N 3.15Å; D1233-D1237 VanDerWaalsContact O-N 3.07Å |
| 1234 | L | 85.5 | Confident | 81.9 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 173.1 | -73 | 169 | 0 | 0 | 0 | 112.3 | R1230 L1231 I1232 D1237 V1238 C1282 | R1230-L1234 HydrophobicContact CG-CD1 4.44Å; R1230-L1234 VanDerWaalsContact O-CG 3.32Å; R1230-L1234 WeakPolarHBondContact O-CG 3.49Å; R1230-L1234 PolarHBondContact O-N 2.98Å; L1231-L1234 PolarHBondContact O-N 3.32Å; I1232-L1234 VanDerWaalsContact C-N 3.32Å; I1232-L1234 PolarHBondContact O-N 2.91Å; L1234-D1237 PolarHBondContact O-N 3.25Å; L1234-V1238 WeakPolarHBondContact O-CG2 3.29Å; L1234-V1238 PolarHBondContact O-N 3.16Å; L1234-C1282 VanDerWaalsContact CD1-SG 3.51Å |
| 1235 | C | 86.2 | Confident | 83 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.4 | -31.5 | 175.3 | -65 | 0 | 0 | 0 | 0 | 112.8 | L1145 V1216 L1231 I1232 V1238 M1239 | L1145-C1235 HydrophobicContact CD1-CB 4.14Å; L1145-C1235 HydrophobicContact CD2-CB 4.08Å; V1216-C1235 WeakPolarHBondContact CG2-SG 3.43Å; L1231-C1235 PolarHBondContact O-N 3.03Å; L1231-C1235 PolarHBondContact O-SG 2.9Å; I1232-C1235 PolarHBondContact O-N 3.4Å; C1235-V1238 WeakPolarHBondContact O-CB 3.3Å; C1235-V1238 PolarHBondContact O-N 3.3Å; C1235-M1239 WeakPolarHBondContact O-CG 3.43Å; C1235-M1239 PolarHBondContact O-N 3.44Å |
| 1236 | R | 87.2 | Confident | 84.1 | Confident | 70 Ų | 70 | 40 Ų | 40 | 26% | 0.264 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.3 | -40.1 | 170.7 | -66.3 | -179.5 | 69.7 | 141 | 15.8 | 112 | E1142 L1145 T1146 I1232 D1233 V1238 M1239 S1240 | E1142-R1236 IonicContact OE1-CZ 3.52Å; E1142-R1236 IonicContact OE1-NE 3.99Å; E1142-R1236 IonicContact OE1-NH2 2.75Å; E1142-R1236 PolarHBondContact OE1-NH2 3.1Å; E1142-R1236 VanDerWaalsContact OE1-NH2 3.16Å; L1145-R1236 HydrophobicContact CB-CG 4.41Å; L1145-R1236 HydrophobicContact CD1-CG 4.29Å; T1146-R1236 PolarHBondContact OG1-NH1 3.17Å; I1232-R1236 WeakPolarHBondContact O-CG 3.34Å; I1232-R1236 PolarHBondContact O-N 3.04Å; D1233-R1236 PolarHBondContact O-N 3.16Å; R1236-V1238 VanDerWaalsContact C-N 3.3Å; R1236-V1238 PolarHBondContact O-N 3.37Å; R1236-M1239 PolarHBondContact O-N 3.5Å; R1236-S1240 PolarHBondContact O-N 3.44Å |
| 1237 | D | 86.9 | Confident | 84.8 | Confident | 61 Ų | 61 | 42.5 Ų | 42.5 | 33% | 0.326 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.4 | -36.6 | 172.9 | -173.3 | 28.9 | 0 | 0 | 0 | 111.8 | D1233 L1234 K1241 | D1233-D1237 PolarHBondContact O-N 3.15Å; D1233-D1237 VanDerWaalsContact O-N 3.07Å; L1234-D1237 PolarHBondContact O-N 3.25Å; D1237-K1241 WeakPolarHBondContact O-CB 3.38Å; D1237-K1241 WeakPolarHBondContact O-CD 3.48Å; D1237-K1241 WeakPolarHBondContact O-CG 3.31Å; D1237-K1241 PolarHBondContact O-N 3.23Å; D1237-K1241 VanDerWaalsContact O-N 3.1Å; D1237-K1241 WeakPolarHBondContact OD1-CE 3.21Å; D1237-K1241 IonicContact OD1-NZ 3.9Å; D1237-K1241 PolarHBondContact OD1-NZ 2.62Å; D1237-K1241 IonicContact OD2-NZ 3.18Å; D1237-K1241 PolarHBondContact OD2-NZ 3.09Å |
| 1238 | V | 87.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -50.3 | 168.7 | 167.3 | 0 | 0 | 0 | 0 | 111.6 | L1209 L1212 L1234 C1235 R1236 S1240 K1241 S1242 L1272 L1276 | L1209-V1238 HydrophobicContact CD2-CG1 3.74Å; L1212-V1238 HydrophobicContact CD2-CG1 4.03Å; L1234-V1238 WeakPolarHBondContact O-CG2 3.29Å; L1234-V1238 PolarHBondContact O-N 3.16Å; C1235-V1238 WeakPolarHBondContact O-CB 3.3Å; C1235-V1238 PolarHBondContact O-N 3.3Å; R1236-V1238 VanDerWaalsContact C-N 3.3Å; R1236-V1238 PolarHBondContact O-N 3.37Å; V1238-S1240 PolarHBondContact O-N 3.27Å; V1238-K1241 PolarHBondContact O-N 3.44Å; V1238-S1242 PolarHBondContact O-N 3.31Å; V1238-S1242 PolarHBondContact O-OG 3.43Å; V1238-S1242 VanDerWaalsContact O-OG 3.11Å; V1238-L1272 HydrophobicContact CB-CD1 4.27Å; V1238-L1272 HydrophobicContact CG1-CD1 3.83Å; V1238-L1272 HydrophobicContact CG2-CD1 4.45Å; V1238-L1272 WeakPolarHBondContact O-CD1 3.21Å; V1238-L1276 HydrophobicContact CG1-CD2 3.83Å; V1238-L1276 HydrophobicContact CG1-CG 4.37Å; V1238-L1276 HydrophobicContact CG2-CD2 3.98Å; V1238-L1276 HydrophobicContact CG2-CG 4.09Å |
| 1239 | M | 88.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 178.9 | -63 | -53 | 138.4 | 0 | 0 | 112.3 | V1138 L1141 E1142 L1145 L1209 L1212 I1213 C1235 R1236 K1241 S1242 S1243 | V1138-M1239 HydrophobicContact CG1-CB 4.15Å; V1138-M1239 HydrophobicContact CG1-SD 4.33Å; L1141-M1239 HydrophobicContact CB-SD 4.28Å; E1142-M1239 HydrophobicContact CB-CB 4.5Å; L1145-M1239 HydrophobicContact CD1-CE 4.25Å; L1145-M1239 HydrophobicContact CD1-CG 3.71Å; L1209-M1239 HydrophobicContact CB-CE 4.05Å; L1209-M1239 HydrophobicContact CB-SD 4.17Å; L1209-M1239 HydrophobicContact CD1-SD 4.28Å; L1209-M1239 HydrophobicContact CD2-CE 3.63Å; L1209-M1239 HydrophobicContact CD2-SD 3.99Å; L1209-M1239 HydrophobicContact CG-CE 4.35Å; L1209-M1239 HydrophobicContact CG-SD 4.37Å; L1212-M1239 HydrophobicContact CD2-CE 4.4Å; I1213-M1239 HydrophobicContact CD1-CE 3.56Å; I1213-M1239 HydrophobicContact CD1-SD 4.07Å; I1213-M1239 HydrophobicContact CG1-CE 3.79Å; C1235-M1239 WeakPolarHBondContact O-CG 3.43Å; C1235-M1239 PolarHBondContact O-N 3.44Å; R1236-M1239 PolarHBondContact O-N 3.5Å; M1239-K1241 VanDerWaalsContact C-N 3.34Å; M1239-K1241 PolarHBondContact O-N 3.38Å; M1239-S1242 PolarHBondContact O-N 3.11Å; M1239-S1243 PolarHBondContact O-N 3.02Å |
| 1240 | S | 86.5 | Confident | 85.8 | Confident | 70 Ų | 70 | 41.4 Ų | 41.4 | 49% | 0.49 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 177.7 | -168.9 | 0 | 0 | 0 | 0 | 112.2 | R1236 V1238 R1244 | R1236-S1240 PolarHBondContact O-N 3.44Å; V1238-S1240 PolarHBondContact O-N 3.27Å; S1240-R1244 PolarHBondContact O-N 3.42Å; S1240-R1244 VanDerWaalsContact O-N 3.14Å |
| 1241 | K | 88.8 | Confident | 85.6 | Confident | 44 Ų | 44 | 40.6 Ų | 40.6 | 19% | 0.191 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.1 | -35.1 | 177.5 | -74.3 | 164.5 | 179.1 | 157.7 | 0 | 112.6 | D1237 V1238 M1239 R1244 L1245 A1271 L1272 S1275 | D1237-K1241 WeakPolarHBondContact O-CB 3.38Å; D1237-K1241 WeakPolarHBondContact O-CD 3.48Å; D1237-K1241 WeakPolarHBondContact O-CG 3.31Å; D1237-K1241 PolarHBondContact O-N 3.23Å; D1237-K1241 VanDerWaalsContact O-N 3.1Å; D1237-K1241 WeakPolarHBondContact OD1-CE 3.21Å; D1237-K1241 IonicContact OD1-NZ 3.9Å; D1237-K1241 PolarHBondContact OD1-NZ 2.62Å; D1237-K1241 IonicContact OD2-NZ 3.18Å; D1237-K1241 PolarHBondContact OD2-NZ 3.09Å; V1238-K1241 PolarHBondContact O-N 3.44Å; M1239-K1241 VanDerWaalsContact C-N 3.34Å; M1239-K1241 PolarHBondContact O-N 3.38Å; K1241-R1244 PolarHBondContact O-N 3.06Å; K1241-L1245 WeakPolarHBondContact O-CB 3.36Å; K1241-L1245 PolarHBondContact O-N 2.68Å; K1241-A1271 HydrophobicContact CD-CB 4.31Å; K1241-L1272 HydrophobicContact CB-CB 4.22Å; K1241-L1272 HydrophobicContact CB-CD1 3.94Å; K1241-S1275 VanDerWaalsContact CD-OG 3.31Å; K1241-S1275 WeakPolarHBondContact CD-OG 3.42Å; K1241-S1275 PolarHBondContact NZ-OG 2.93Å |
| 1242 | S | 87.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | 172.7 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | V1238 M1239 R1244 L1245 F1246 | V1238-S1242 PolarHBondContact O-N 3.31Å; V1238-S1242 PolarHBondContact O-OG 3.43Å; V1238-S1242 VanDerWaalsContact O-OG 3.11Å; M1239-S1242 PolarHBondContact O-N 3.11Å; S1242-R1244 VanDerWaalsContact C-N 3.28Å; S1242-R1244 PolarHBondContact O-N 3.21Å; S1242-L1245 WeakPolarHBondContact O-CB 3.37Å; S1242-L1245 PolarHBondContact O-N 3.36Å; S1242-L1245 VanDerWaalsContact O-N 3.13Å; S1242-F1246 WeakPolarHBondContact O-CD2 3.41Å; S1242-F1246 PolarHBondContact O-N 3.36Å; S1242-F1246 VanDerWaalsContact O-N 3.12Å |
| 1243 | S | 86.9 | Confident | 84.8 | Confident | 21 Ų | 21 | 43.1 Ų | 43.1 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 174.2 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | M1239 L1245 F1246 E1247 | M1239-S1243 PolarHBondContact O-N 3.02Å; S1243-L1245 VanDerWaalsContact C-N 3.35Å; S1243-F1246 PolarHBondContact O-N 2.87Å; S1243-E1247 PolarHBondContact O-N 2.86Å |
| 1244 | R | 86.3 | Confident | 84.4 | Confident | 159 Ų | 159 | 44 Ų | 44 | 60% | 0.6 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -68.8 | -31.6 | 176.8 | -172.2 | 173.4 | 177.8 | 176.6 | -1.3 | 113.1 | S1240 K1241 S1242 E1248 V1268 | S1240-R1244 PolarHBondContact O-N 3.42Å; S1240-R1244 VanDerWaalsContact O-N 3.14Å; K1241-R1244 PolarHBondContact O-N 3.06Å; S1242-R1244 VanDerWaalsContact C-N 3.28Å; S1242-R1244 PolarHBondContact O-N 3.21Å; R1244-E1248 PolarHBondContact O-N 3.36Å; R1244-E1248 VanDerWaalsContact O-N 3.15Å; R1244-V1268 HydrophobicContact CB-CG1 4.48Å; R1244-V1268 HydrophobicContact CG-CG1 4.45Å; R1244-V1268 HydrophobicContact CG-CG2 4.41Å |
| 1245 | L | 87.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -49 | 174.1 | -175.8 | 68.8 | 0 | 0 | 0 | 110.5 | V1183 L1186 L1187 K1241 S1242 S1243 E1247 E1248 I1249 L1265 V1268 A1269 L1272 | V1183-L1245 HydrophobicContact CG1-CD2 3.95Å; V1183-L1245 HydrophobicContact CG2-CD2 4.13Å; L1186-L1245 HydrophobicContact CD2-CD2 3.99Å; L1186-L1245 HydrophobicContact CD2-CG 4.5Å; L1187-L1245 HydrophobicContact CD2-CD1 4.32Å; K1241-L1245 WeakPolarHBondContact O-CB 3.36Å; K1241-L1245 PolarHBondContact O-N 2.68Å; S1242-L1245 WeakPolarHBondContact O-CB 3.37Å; S1242-L1245 PolarHBondContact O-N 3.36Å; S1242-L1245 VanDerWaalsContact O-N 3.13Å; S1243-L1245 VanDerWaalsContact C-N 3.35Å; L1245-E1247 VanDerWaalsContact C-N 3.35Å; L1245-E1247 PolarHBondContact O-N 3.24Å; L1245-E1248 PolarHBondContact O-N 3.01Å; L1245-I1249 HydrophobicContact CD1-CD1 4.4Å; L1245-I1249 HydrophobicContact CG-CD1 3.89Å; L1245-I1249 WeakPolarHBondContact O-CD1 3.43Å; L1245-I1249 VanDerWaalsContact O-CG1 3.27Å; L1245-I1249 WeakPolarHBondContact O-CG1 3.31Å; L1245-I1249 PolarHBondContact O-N 3.47Å; L1245-L1265 HydrophobicContact CD1-CD1 3.69Å; L1245-V1268 HydrophobicContact CB-CG1 4Å; L1245-V1268 HydrophobicContact CD1-CB 4.46Å; L1245-V1268 HydrophobicContact CD1-CG1 4.15Å; L1245-A1269 HydrophobicContact CD1-CB 4.34Å; L1245-L1272 HydrophobicContact CD2-CD2 4.05Å |
| 1246 | F | 86.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -40.6 | 176.6 | -67.3 | -46 | 0 | 0 | 0 | 113.1 | L1131 A1134 I1135 V1138 L1186 A1202 V1205 S1242 S1243 E1248 I1249 R1250 | L1131-F1246 HydrophobicContact CD2-CB 4.06Å; L1131-F1246 HydrophobicContact CD2-CD1 3.73Å; L1131-F1246 HydrophobicContact CD2-CG 4.25Å; A1134-F1246 HydrophobicContact CB-CD2 4.38Å; A1134-F1246 HydrophobicContact CB-CE1 4.34Å; A1134-F1246 HydrophobicContact CB-CE2 4.01Å; A1134-F1246 HydrophobicContact CB-CZ 3.99Å; I1135-F1246 HydrophobicContact CD1-CB 3.92Å; I1135-F1246 HydrophobicContact CG1-CB 3.54Å; I1135-F1246 HydrophobicContact CG1-CD2 4.09Å; I1135-F1246 HydrophobicContact CG1-CG 4.17Å; V1138-F1246 HydrophobicContact CG2-CD2 4.39Å; V1138-F1246 HydrophobicContact CG2-CE2 3.77Å; L1186-F1246 HydrophobicContact CD2-CD1 3.95Å; L1186-F1246 HydrophobicContact CD2-CE1 3.5Å; L1186-F1246 VanDerWaalsContact CD2-CE1 3.5Å; L1186-F1246 HydrophobicContact CD2-CZ 4.48Å; A1202-F1246 HydrophobicContact CB-CD1 4.16Å; A1202-F1246 HydrophobicContact CB-CE1 3.53Å; A1202-F1246 HydrophobicContact CB-CZ 4.23Å; V1205-F1246 HydrophobicContact CB-CZ 4.08Å; V1205-F1246 HydrophobicContact CG1-CE1 4.46Å; V1205-F1246 HydrophobicContact CG1-CZ 3.79Å; S1242-F1246 WeakPolarHBondContact O-CD2 3.41Å; S1242-F1246 PolarHBondContact O-N 3.36Å; S1242-F1246 VanDerWaalsContact O-N 3.12Å; S1243-F1246 PolarHBondContact O-N 2.87Å; F1246-E1248 PolarHBondContact O-N 3.28Å; F1246-I1249 HydrophobicContact CD1-CD1 4.46Å; F1246-I1249 PolarHBondContact O-N 2.9Å; F1246-R1250 WeakPolarHBondContact O-CB 3.43Å; F1246-R1250 PolarHBondContact O-N 3.11Å |
| 1247 | E | 85 | Confident | 81.7 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 175.4 | -73.8 | -174.3 | 175.9 | 0 | 0 | 113.2 | I1135 S1243 L1245 R1250 R1251 | I1135-E1247 HydrophobicContact CD1-CG 4.36Å; S1243-E1247 PolarHBondContact O-N 2.86Å; L1245-E1247 VanDerWaalsContact C-N 3.35Å; L1245-E1247 PolarHBondContact O-N 3.24Å; E1247-R1250 PolarHBondContact O-N 2.97Å; E1247-R1251 PolarHBondContact O-N 2.85Å; E1247-R1251 VanDerWaalsContact O-N 3.15Å |
| 1248 | E | 83.6 | Confident | 80.8 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74 | -33.4 | 178.9 | -156.1 | 71.9 | 180 | 0 | 0 | 111.6 | R1244 L1245 F1246 R1251 C1252 R1264 L1265 | R1244-E1248 PolarHBondContact O-N 3.36Å; R1244-E1248 VanDerWaalsContact O-N 3.15Å; L1245-E1248 PolarHBondContact O-N 3.01Å; F1246-E1248 PolarHBondContact O-N 3.28Å; E1248-R1251 WeakPolarHBondContact O-CA 3.34Å; E1248-R1251 WeakPolarHBondContact O-CB 3.36Å; E1248-R1251 PolarHBondContact O-N 3.42Å; E1248-R1251 VanDerWaalsContact O-N 3.15Å; E1248-R1251 WeakPolarHBondContact OE2-CD 3.3Å; E1248-R1251 IonicContact OE2-CZ 2.76Å; E1248-R1251 IonicContact OE2-NE 3.83Å; E1248-R1251 IonicContact OE2-NH1 3.08Å; E1248-R1251 PolarHBondContact OE2-NH1 3.14Å; E1248-C1252 PolarHBondContact O-N 2.99Å; E1248-C1252 PolarHBondContact O-SG 3.19Å; E1248-C1252 VanDerWaalsContact O-SG 3.42Å; E1248-R1264 HydrophobicContact CG-CB 4.26Å; E1248-R1264 WeakPolarHBondContact OE1-CB 3.21Å; E1248-R1264 WeakPolarHBondContact OE1-CD 3.26Å; E1248-R1264 IonicContact OE1-NH1 3.91Å; E1248-L1265 HydrophobicContact CB-CD1 4.43Å |
| 1249 | I | 83.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 172 | -65.4 | 159.3 | 0 | 0 | 0 | 110.9 | L1131 L1186 V1198 L1245 F1246 R1251 C1252 L1253 L1265 | L1131-I1249 HydrophobicContact CD1-CG2 4.29Å; L1131-I1249 HydrophobicContact CD2-CG2 4.41Å; L1186-I1249 HydrophobicContact CD1-CD1 3.79Å; L1186-I1249 HydrophobicContact CD2-CD1 3.48Å; L1186-I1249 VanDerWaalsContact CD2-CD1 3.48Å; L1186-I1249 HydrophobicContact CG-CD1 3.4Å; L1186-I1249 VanDerWaalsContact CG-CD1 3.4Å; V1198-I1249 HydrophobicContact CG1-CG2 3.53Å; V1198-I1249 HydrophobicContact CG2-CG2 4.32Å; L1245-I1249 HydrophobicContact CD1-CD1 4.4Å; L1245-I1249 HydrophobicContact CG-CD1 3.89Å; L1245-I1249 WeakPolarHBondContact O-CD1 3.43Å; L1245-I1249 VanDerWaalsContact O-CG1 3.27Å; L1245-I1249 WeakPolarHBondContact O-CG1 3.31Å; L1245-I1249 PolarHBondContact O-N 3.47Å; F1246-I1249 HydrophobicContact CD1-CD1 4.46Å; F1246-I1249 PolarHBondContact O-N 2.9Å; I1249-R1251 PolarHBondContact O-N 3.37Å; I1249-C1252 WeakPolarHBondContact O-CB 3.48Å; I1249-C1252 PolarHBondContact O-N 3.44Å; I1249-C1252 VanDerWaalsContact O-N 3.1Å; I1249-L1253 PolarHBondContact O-N 2.88Å; I1249-L1265 HydrophobicContact CD1-CD1 4.25Å; I1249-L1265 HydrophobicContact CG1-CD1 3.42Å; I1249-L1265 VanDerWaalsContact CG1-CD1 3.42Å |
| 1250 | R | 82.2 | Confident | 79.1 | Confident | 111 Ų | 111 | 61.4 Ų | 61.4 | 42% | 0.419 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.6 | -36.8 | 173.5 | -165.3 | 176.2 | 67.3 | 177.1 | 0.6 | 110.9 | L1131 D1132 F1246 E1247 T1254 | L1131-R1250 HydrophobicContact CD1-CB 4.39Å; D1132-R1250 IonicContact OD1-CZ 3.67Å; D1132-R1250 IonicContact OD1-NH1 3.1Å; D1132-R1250 PolarHBondContact OD1-NH1 3.22Å; F1246-R1250 WeakPolarHBondContact O-CB 3.43Å; F1246-R1250 PolarHBondContact O-N 3.11Å; E1247-R1250 PolarHBondContact O-N 2.97Å; R1250-T1254 WeakPolarHBondContact O-CG2 3.49Å; R1250-T1254 PolarHBondContact O-N 2.96Å; R1250-T1254 PolarHBondContact O-OG1 3.1Å |
| 1251 | R | 79.3 | Confident | 78.4 | Confident | 122 Ų | 122 | 58.3 Ų | 58.3 | 46% | 0.46 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.2 | -47.7 | 171.2 | -69.1 | 173.4 | -179 | 156.4 | 3 | 112.1 | E1247 E1248 I1249 L1253 T1254 Q1255 | E1247-R1251 PolarHBondContact O-N 2.85Å; E1247-R1251 VanDerWaalsContact O-N 3.15Å; E1248-R1251 WeakPolarHBondContact O-CA 3.34Å; E1248-R1251 WeakPolarHBondContact O-CB 3.36Å; E1248-R1251 PolarHBondContact O-N 3.42Å; E1248-R1251 VanDerWaalsContact O-N 3.15Å; E1248-R1251 WeakPolarHBondContact OE2-CD 3.3Å; E1248-R1251 IonicContact OE2-CZ 2.76Å; E1248-R1251 IonicContact OE2-NE 3.83Å; E1248-R1251 IonicContact OE2-NH1 3.08Å; E1248-R1251 PolarHBondContact OE2-NH1 3.14Å; I1249-R1251 PolarHBondContact O-N 3.37Å; R1251-L1253 VanDerWaalsContact C-N 3.31Å; R1251-L1253 PolarHBondContact O-N 3.2Å; R1251-T1254 WeakPolarHBondContact CA-OG1 3.34Å; R1251-T1254 CarbonylContact O-C 3.6Å; R1251-T1254 PolarHBondContact O-N 3.36Å; R1251-T1254 PolarHBondContact O-OG1 3.27Å; R1251-Q1255 PolarHBondContact O-N 2.84Å |
| 1252 | C | 75.9 | Confident | 77.4 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55 | -43.1 | 175.7 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | E1248 I1249 T1254 Q1255 P1256 | E1248-C1252 PolarHBondContact O-N 2.99Å; E1248-C1252 PolarHBondContact O-SG 3.19Å; E1248-C1252 VanDerWaalsContact O-SG 3.42Å; I1249-C1252 WeakPolarHBondContact O-CB 3.48Å; I1249-C1252 PolarHBondContact O-N 3.44Å; I1249-C1252 VanDerWaalsContact O-N 3.1Å; C1252-T1254 VanDerWaalsContact C-N 3.34Å; C1252-T1254 PolarHBondContact O-N 3.43Å; C1252-Q1255 CarbonylContact O-C 3.58Å; C1252-Q1255 PolarHBondContact O-N 3.5Å; C1252-P1256 WeakPolarHBondContact O-CA 3.37Å; C1252-P1256 VanDerWaalsContact O-N 3.1Å |
| 1253 | L | 75.2 | Confident | 76.7 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.3 | -35.9 | 175.6 | -72.9 | 174.3 | 0 | 0 | 0 | 112.7 | L1131 A1193 V1198 I1249 R1251 | L1131-L1253 HydrophobicContact CD1-CD1 3.57Å; A1193-L1253 HydrophobicContact CB-CD2 4.45Å; V1198-L1253 HydrophobicContact CB-CD1 4.44Å; V1198-L1253 HydrophobicContact CG1-CD1 4.04Å; V1198-L1253 HydrophobicContact CG2-CD2 4.4Å; I1249-L1253 PolarHBondContact O-N 2.88Å; R1251-L1253 VanDerWaalsContact C-N 3.31Å; R1251-L1253 PolarHBondContact O-N 3.2Å |
| 1254 | T | 76.6 | Confident | 76.1 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 63% | 0.632 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -76.9 | -22.8 | 174.8 | 60 | 0 | 0 | 0 | 0 | 114.1 | R1250 R1251 C1252 | R1250-T1254 WeakPolarHBondContact O-CG2 3.49Å; R1250-T1254 PolarHBondContact O-N 2.96Å; R1250-T1254 PolarHBondContact O-OG1 3.1Å; R1251-T1254 WeakPolarHBondContact CA-OG1 3.34Å; R1251-T1254 CarbonylContact O-C 3.6Å; R1251-T1254 PolarHBondContact O-N 3.36Å; R1251-T1254 PolarHBondContact O-OG1 3.27Å; C1252-T1254 VanDerWaalsContact C-N 3.34Å; C1252-T1254 PolarHBondContact O-N 3.43Å |
| 1255 | Q | 72.2 | Confident | 75.7 | Confident | 108 Ų | 108 | 63.5 Ų | 63.5 | 51% | 0.505 | 32% | 0.319 | S | S | . | . | trans | -141.3 | 68.5 | -174.3 | -65.7 | -174.4 | -11.1 | 0 | 0 | 111.4 | R1251 C1252 T1257 | R1251-Q1255 PolarHBondContact O-N 2.84Å; C1252-Q1255 CarbonylContact O-C 3.58Å; C1252-Q1255 PolarHBondContact O-N 3.5Å; Q1255-T1257 PolarHBondContact O-N 2.9Å; Q1255-T1257 VanDerWaalsContact O-N 3.16Å | ||
| 1256 | P | 64.4 | Low | 75 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 51% | 0.506 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -8.9 | -172.9 | 28.9 | -36.9 | 0 | 0 | 0 | 114.6 | A1193 C1252 | A1193-P1256 HydrophobicContact CB-CB 3.94Å; C1252-P1256 WeakPolarHBondContact O-CA 3.37Å; C1252-P1256 VanDerWaalsContact O-N 3.1Å |
| 1257 | T | 65.4 | Low | 74.8 | Confident | 133 Ų | 133 | 71.7 Ų | 71.7 | 82% | 0.816 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.4 | -175.5 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | Q1255 P1259 | Q1255-T1257 PolarHBondContact O-N 2.9Å; Q1255-T1257 VanDerWaalsContact O-N 3.16Å; T1257-P1259 WeakPolarHBondContact O-CD 3.41Å |
| 1258 | D | 68.4 | Low | 74.7 | Confident | 50 Ų | 50 | 69.3 Ų | 69.3 | 27% | 0.267 | 35% | 0.354 | S | S | . | . | trans | -97.1 | 112.6 | -175.2 | -175.3 | 2.3 | 0 | 0 | 0 | 111.7 | D1260 N1261 | D1258-D1260 VanDerWaalsContact C-N 3.27Å; D1258-D1260 PolarHBondContact O-N 3.43Å; D1258-D1260 WeakPolarHBondContact OD1-CB 3.25Å; D1258-D1260 PolarHBondContact OD1-N 3.2Å; D1258-N1261 HydrophobicContact CB-CB 4.47Å; D1258-N1261 PolarHBondContact O-N 2.78Å; D1258-N1261 PolarHBondContact OD2-ND2 2.96Å | ||
| 1259 | P | 68 | Low | 74.5 | Confident | 81 Ų | 81 | 69.2 Ų | 69.2 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.8 | -23.1 | 178.4 | 29.4 | -35.6 | 0 | 0 | 0 | 113.3 | T1257 N1261 Q1262 Q1263 | T1257-P1259 WeakPolarHBondContact O-CD 3.41Å; P1259-N1261 VanDerWaalsContact C-N 3.28Å; P1259-N1261 PolarHBondContact O-N 3.41Å; P1259-Q1262 PolarHBondContact O-N 2.92Å; P1259-Q1263 PolarHBondContact O-N 3.42Å; P1259-Q1263 VanDerWaalsContact O-N 3.16Å |
| 1260 | D | 72.5 | Confident | 74.2 | Confident | 81 Ų | 81 | 75.8 Ų | 75.8 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 177.5 | -79.6 | 3.1 | 0 | 0 | 0 | 111 | D1258 Q1262 Q1263 R1264 | D1258-D1260 VanDerWaalsContact C-N 3.27Å; D1258-D1260 PolarHBondContact O-N 3.43Å; D1258-D1260 WeakPolarHBondContact OD1-CB 3.25Å; D1258-D1260 PolarHBondContact OD1-N 3.2Å; D1260-Q1262 VanDerWaalsContact C-N 3.34Å; D1260-Q1262 PolarHBondContact O-N 2.93Å; D1260-Q1263 PolarHBondContact O-N 3.44Å; D1260-R1264 WeakPolarHBondContact O-CG 3.41Å; D1260-R1264 PolarHBondContact O-N 3.09Å |
| 1261 | N | 70.3 | Confident | 74.2 | Confident | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 176.9 | -69.2 | -24.5 | 0 | 0 | 0 | 111.1 | D1258 P1259 R1264 L1265 | D1258-N1261 HydrophobicContact CB-CB 4.47Å; D1258-N1261 PolarHBondContact O-N 2.78Å; D1258-N1261 PolarHBondContact OD2-ND2 2.96Å; P1259-N1261 VanDerWaalsContact C-N 3.28Å; P1259-N1261 PolarHBondContact O-N 3.41Å; N1261-R1264 PolarHBondContact O-N 3.29Å; N1261-R1264 PolarHBondContact OD1-NH1 3.36Å; N1261-L1265 WeakPolarHBondContact O-CB 3.32Å; N1261-L1265 PolarHBondContact O-N 2.97Å |
| 1262 | Q | 68.2 | Low | 74.5 | Confident | 97 Ų | 97 | 66.5 Ų | 66.5 | 45% | 0.453 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 173.8 | -66.4 | -173.3 | -13.6 | 0 | 0 | 112.3 | P1259 D1260 A1266 | P1259-Q1262 PolarHBondContact O-N 2.92Å; D1260-Q1262 VanDerWaalsContact C-N 3.34Å; D1260-Q1262 PolarHBondContact O-N 2.93Å; Q1262-A1266 PolarHBondContact O-N 2.85Å; Q1262-A1266 VanDerWaalsContact O-N 3.1Å |
| 1263 | Q | 72.2 | Confident | 74.7 | Confident | 123 Ų | 123 | 68.7 Ų | 68.7 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.4 | -43.2 | 175.8 | -68.3 | -169.6 | 9.8 | 0 | 0 | 112.5 | P1259 D1260 A1266 Q1267 | P1259-Q1263 PolarHBondContact O-N 3.42Å; P1259-Q1263 VanDerWaalsContact O-N 3.16Å; D1260-Q1263 PolarHBondContact O-N 3.44Å; Q1263-A1266 PolarHBondContact O-N 2.83Å; Q1263-Q1267 WeakPolarHBondContact O-CG 3.09Å; Q1263-Q1267 PolarHBondContact O-N 2.91Å |
| 1264 | R | 75.8 | Confident | 74.9 | Confident | 108 Ų | 108 | 73.5 Ų | 73.5 | 41% | 0.408 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 175.6 | -71.4 | 174.6 | -166.7 | 153.7 | 12.8 | 111.7 | E1248 D1260 N1261 A1266 Q1267 V1268 | E1248-R1264 HydrophobicContact CG-CB 4.26Å; E1248-R1264 WeakPolarHBondContact OE1-CB 3.21Å; E1248-R1264 WeakPolarHBondContact OE1-CD 3.26Å; E1248-R1264 IonicContact OE1-NH1 3.91Å; D1260-R1264 WeakPolarHBondContact O-CG 3.41Å; D1260-R1264 PolarHBondContact O-N 3.09Å; N1261-R1264 PolarHBondContact O-N 3.29Å; N1261-R1264 PolarHBondContact OD1-NH1 3.36Å; R1264-A1266 VanDerWaalsContact C-N 3.34Å; R1264-A1266 PolarHBondContact O-N 3.15Å; R1264-Q1267 WeakPolarHBondContact O-CB 3.34Å; R1264-Q1267 PolarHBondContact O-N 3.12Å; R1264-Q1267 VanDerWaalsContact O-N 3.13Å; R1264-V1268 WeakPolarHBondContact O-CG2 3.47Å; R1264-V1268 PolarHBondContact O-N 2.88Å |
| 1265 | L | 76.5 | Confident | 75.2 | Confident | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.3 | -47.5 | 176.3 | -177.6 | 69.2 | 0 | 0 | 0 | 111.2 | L1187 L1245 E1248 I1249 N1261 Q1267 V1268 A1269 | L1187-L1265 HydrophobicContact CD2-CD1 4.05Å; L1187-L1265 HydrophobicContact CD2-CD2 3.93Å; L1187-L1265 HydrophobicContact CD2-CG 3.51Å; L1245-L1265 HydrophobicContact CD1-CD1 3.69Å; E1248-L1265 HydrophobicContact CB-CD1 4.43Å; I1249-L1265 HydrophobicContact CD1-CD1 4.25Å; I1249-L1265 HydrophobicContact CG1-CD1 3.42Å; I1249-L1265 VanDerWaalsContact CG1-CD1 3.42Å; N1261-L1265 WeakPolarHBondContact O-CB 3.32Å; N1261-L1265 PolarHBondContact O-N 2.97Å; L1265-Q1267 PolarHBondContact O-N 2.73Å; L1265-V1268 PolarHBondContact O-N 3.34Å; L1265-A1269 PolarHBondContact O-N 3.29Å; L1265-A1269 VanDerWaalsContact O-N 3.14Å |
| 1266 | A | 74.1 | Confident | 75.7 | Confident | 44 Ų | 44 | 63.6 Ų | 63.6 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1262 Q1263 R1264 K1270 | Q1262-A1266 PolarHBondContact O-N 2.85Å; Q1262-A1266 VanDerWaalsContact O-N 3.1Å; Q1263-A1266 PolarHBondContact O-N 2.83Å; R1264-A1266 VanDerWaalsContact C-N 3.34Å; R1264-A1266 PolarHBondContact O-N 3.15Å; A1266-K1270 WeakPolarHBondContact O-CG 3.48Å; A1266-K1270 PolarHBondContact O-N 3.05Å |
| 1267 | Q | 80.6 | Confident | 76.3 | Confident | 128 Ų | 128 | 64.1 Ų | 64.1 | 60% | 0.598 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67 | -43.5 | 175.5 | -72.5 | 172.8 | 13.7 | 0 | 0 | 112.4 | Q1263 R1264 L1265 K1270 A1271 | Q1263-Q1267 WeakPolarHBondContact O-CG 3.09Å; Q1263-Q1267 PolarHBondContact O-N 2.91Å; R1264-Q1267 WeakPolarHBondContact O-CB 3.34Å; R1264-Q1267 PolarHBondContact O-N 3.12Å; R1264-Q1267 VanDerWaalsContact O-N 3.13Å; L1265-Q1267 PolarHBondContact O-N 2.73Å; Q1267-K1270 PolarHBondContact O-N 3.48Å; Q1267-A1271 PolarHBondContact O-N 3Å; Q1267-A1271 VanDerWaalsContact O-N 3.09Å |
| 1268 | V | 83.5 | Confident | 77.1 | Confident | 16 Ų | 16 | 59 Ų | 59 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.8 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | R1244 L1245 R1264 L1265 A1271 L1272 | R1244-V1268 HydrophobicContact CB-CG1 4.48Å; R1244-V1268 HydrophobicContact CG-CG1 4.45Å; R1244-V1268 HydrophobicContact CG-CG2 4.41Å; L1245-V1268 HydrophobicContact CB-CG1 4Å; L1245-V1268 HydrophobicContact CD1-CB 4.46Å; L1245-V1268 HydrophobicContact CD1-CG1 4.15Å; R1264-V1268 WeakPolarHBondContact O-CG2 3.47Å; R1264-V1268 PolarHBondContact O-N 2.88Å; L1265-V1268 PolarHBondContact O-N 3.34Å; V1268-A1271 PolarHBondContact O-N 2.87Å; V1268-L1272 PolarHBondContact O-N 2.97Å |
| 1269 | A | 78.9 | Confident | 77.6 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1183 L1187 L1245 L1265 A1271 L1272 T1273 | V1183-A1269 HydrophobicContact CG1-CB 3.94Å; L1187-A1269 HydrophobicContact CD1-CB 3.59Å; L1187-A1269 HydrophobicContact CD2-CB 3.84Å; L1187-A1269 HydrophobicContact CG-CB 4.04Å; L1245-A1269 HydrophobicContact CD1-CB 4.34Å; L1265-A1269 PolarHBondContact O-N 3.29Å; L1265-A1269 VanDerWaalsContact O-N 3.14Å; A1269-A1271 VanDerWaalsContact C-N 3.27Å; A1269-A1271 PolarHBondContact O-N 3Å; A1269-L1272 WeakPolarHBondContact O-CB 3.17Å; A1269-L1272 PolarHBondContact O-N 3.42Å; A1269-L1272 VanDerWaalsContact O-N 3.09Å; A1269-T1273 PolarHBondContact O-N 3.01Å; A1269-T1273 PolarHBondContact O-OG1 3.22Å; A1269-T1273 VanDerWaalsContact O-OG1 3.12Å |
| 1270 | K | 78.4 | Confident | 77.9 | Confident | 138 Ų | 138 | 53.6 Ų | 53.6 | 60% | 0.6 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.1 | -38.9 | 173.7 | -76.5 | -174.1 | 178.6 | -169.2 | 0 | 112.3 | A1266 Q1267 F1274 | A1266-K1270 WeakPolarHBondContact O-CG 3.48Å; A1266-K1270 PolarHBondContact O-N 3.05Å; Q1267-K1270 PolarHBondContact O-N 3.48Å; K1270-F1274 WeakPolarHBondContact O-CB 3.18Å; K1270-F1274 PolarHBondContact O-N 2.91Å; K1270-F1274 VanDerWaalsContact O-N 3.09Å |
| 1271 | A | 82 | Confident | 77.9 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 31% | 0.314 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1241 Q1267 V1268 A1269 S1275 | K1241-A1271 HydrophobicContact CD-CB 4.31Å; Q1267-A1271 PolarHBondContact O-N 3Å; Q1267-A1271 VanDerWaalsContact O-N 3.09Å; V1268-A1271 PolarHBondContact O-N 2.87Å; A1269-A1271 VanDerWaalsContact C-N 3.27Å; A1269-A1271 PolarHBondContact O-N 3Å; A1271-S1275 PolarHBondContact O-N 3.13Å; A1271-S1275 PolarHBondContact O-OG 3.42Å |
| 1272 | L | 85.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -50 | 175.2 | -178.7 | 54.5 | 0 | 0 | 0 | 111.3 | V1183 V1238 K1241 L1245 V1268 A1269 F1274 S1275 L1276 | V1183-L1272 HydrophobicContact CG1-CD2 4.19Å; V1183-L1272 HydrophobicContact CG2-CD2 3.52Å; V1183-L1272 HydrophobicContact CG2-CG 4.43Å; V1238-L1272 HydrophobicContact CB-CD1 4.27Å; V1238-L1272 HydrophobicContact CG1-CD1 3.83Å; V1238-L1272 HydrophobicContact CG2-CD1 4.45Å; V1238-L1272 WeakPolarHBondContact O-CD1 3.21Å; K1241-L1272 HydrophobicContact CB-CB 4.22Å; K1241-L1272 HydrophobicContact CB-CD1 3.94Å; L1245-L1272 HydrophobicContact CD2-CD2 4.05Å; V1268-L1272 PolarHBondContact O-N 2.97Å; A1269-L1272 WeakPolarHBondContact O-CB 3.17Å; A1269-L1272 PolarHBondContact O-N 3.42Å; A1269-L1272 VanDerWaalsContact O-N 3.09Å; L1272-F1274 VanDerWaalsContact C-N 3.3Å; L1272-F1274 PolarHBondContact O-N 3.13Å; L1272-S1275 WeakPolarHBondContact O-CB 3.18Å; L1272-S1275 PolarHBondContact O-N 3.42Å; L1272-L1276 HydrophobicContact CD1-CD1 4.43Å; L1272-L1276 HydrophobicContact CG-CD1 4.21Å; L1272-L1276 WeakPolarHBondContact O-CG 3.4Å; L1272-L1276 PolarHBondContact O-N 3.26Å |
| 1273 | T | 79.4 | Confident | 78 | Confident | 54 Ų | 54 | 48.2 Ų | 48.2 | 33% | 0.331 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.2 | -35.4 | 177 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | A1269 N1277 | A1269-T1273 PolarHBondContact O-N 3.01Å; A1269-T1273 PolarHBondContact O-OG1 3.22Å; A1269-T1273 VanDerWaalsContact O-OG1 3.12Å; T1273-N1277 PolarHBondContact O-N 3.2Å; T1273-N1277 PolarHBondContact O-ND2 3.2Å |
| 1274 | F | 80.7 | Confident | 77.4 | Confident | 148 Ų | 148 | 44.8 Ų | 44.8 | 65% | 0.649 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65.2 | -38.2 | 172.9 | -179.5 | -92.9 | 0 | 0 | 0 | 112.7 | K1270 L1272 S1278 | K1270-F1274 WeakPolarHBondContact O-CB 3.18Å; K1270-F1274 PolarHBondContact O-N 2.91Å; K1270-F1274 VanDerWaalsContact O-N 3.09Å; L1272-F1274 VanDerWaalsContact C-N 3.3Å; L1272-F1274 PolarHBondContact O-N 3.13Å; F1274-S1278 PolarHBondContact O-N 3.07Å; F1274-S1278 PolarHBondContact O-OG 3.17Å |
| 1275 | S | 82.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.3 | -41.2 | -179.9 | -45.7 | 0 | 0 | 0 | 0 | 111 | K1241 A1271 L1272 S1278 C1279 | K1241-S1275 VanDerWaalsContact CD-OG 3.31Å; K1241-S1275 WeakPolarHBondContact CD-OG 3.42Å; K1241-S1275 PolarHBondContact NZ-OG 2.93Å; A1271-S1275 PolarHBondContact O-N 3.13Å; A1271-S1275 PolarHBondContact O-OG 3.42Å; L1272-S1275 WeakPolarHBondContact O-CB 3.18Å; L1272-S1275 PolarHBondContact O-N 3.42Å; S1275-S1278 WeakPolarHBondContact O-CB 3.43Å; S1275-S1278 PolarHBondContact O-N 3.29Å; S1275-C1279 PolarHBondContact O-N 2.74Å; S1275-C1279 PolarHBondContact O-SG 2.8Å |
| 1276 | L | 82 | Confident | 76.3 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -51 | 172.2 | -75.1 | 169.1 | 0 | 0 | 0 | 111.8 | T1176 V1179 L1212 V1238 L1272 S1278 C1279 | T1176-L1276 HydrophobicContact CG2-CB 3.68Å; T1176-L1276 HydrophobicContact CG2-CD2 4.12Å; T1176-L1276 HydrophobicContact CG2-CG 4.47Å; T1176-L1276 VanDerWaalsContact CG2-O 3.29Å; T1176-L1276 WeakPolarHBondContact CG2-O 3.33Å; V1179-L1276 HydrophobicContact CB-CD1 4.12Å; V1179-L1276 HydrophobicContact CB-CD2 4.12Å; V1179-L1276 HydrophobicContact CG1-CD1 3.71Å; V1179-L1276 HydrophobicContact CG1-CD2 3.98Å; V1179-L1276 HydrophobicContact CG1-CG 4.49Å; L1212-L1276 HydrophobicContact CD2-CD2 3.9Å; V1238-L1276 HydrophobicContact CG1-CD2 3.83Å; V1238-L1276 HydrophobicContact CG1-CG 4.37Å; V1238-L1276 HydrophobicContact CG2-CD2 3.98Å; V1238-L1276 HydrophobicContact CG2-CG 4.09Å; L1272-L1276 HydrophobicContact CD1-CD1 4.43Å; L1272-L1276 HydrophobicContact CG-CD1 4.21Å; L1272-L1276 WeakPolarHBondContact O-CG 3.4Å; L1272-L1276 PolarHBondContact O-N 3.26Å; L1276-S1278 PolarHBondContact O-N 3.17Å; L1276-C1279 VanDerWaalsContact O-CB 3.31Å; L1276-C1279 WeakPolarHBondContact O-CB 3.2Å; L1276-C1279 PolarHBondContact O-N 2.88Å |
| 1277 | N | 77.5 | Confident | 75.9 | Confident | 88 Ų | 88 | 44.1 Ų | 44.1 | 47% | 0.471 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.2 | -33.3 | 175.4 | -80.5 | -63.9 | 0 | 0 | 0 | 112.8 | T1273 C1279 V1280 N1281 | T1273-N1277 PolarHBondContact O-N 3.2Å; T1273-N1277 PolarHBondContact O-ND2 3.2Å; N1277-C1279 VanDerWaalsContact C-N 3.27Å; N1277-C1279 PolarHBondContact O-N 3.23Å; N1277-V1280 PolarHBondContact O-N 3.47Å; N1277-N1281 VanDerWaalsContact O-CG 3.3Å; N1277-N1281 PolarHBondContact O-N 3.19Å; N1277-N1281 VanDerWaalsContact O-N 3.14Å; N1277-N1281 PolarHBondContact O-ND2 3.29Å |
| 1278 | S | 80.7 | Confident | 75.2 | Confident | 26 Ų | 26 | 42 Ų | 42 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -28.9 | 176.6 | -60.9 | 0 | 0 | 0 | 0 | 113 | F1274 S1275 L1276 C1282 | F1274-S1278 PolarHBondContact O-N 3.07Å; F1274-S1278 PolarHBondContact O-OG 3.17Å; S1275-S1278 WeakPolarHBondContact O-CB 3.43Å; S1275-S1278 PolarHBondContact O-N 3.29Å; L1276-S1278 PolarHBondContact O-N 3.17Å; S1278-C1282 PolarHBondContact O-SG 2.67Å; S1278-C1282 VanDerWaalsContact O-SG 3.37Å |
| 1279 | C | 79.5 | Confident | 74.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.6 | -42.4 | 174.6 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | L1231 S1275 L1276 N1277 C1282 | L1231-C1279 HydrophobicContact CD1-CB 3.99Å; S1275-C1279 PolarHBondContact O-N 2.74Å; S1275-C1279 PolarHBondContact O-SG 2.8Å; L1276-C1279 VanDerWaalsContact O-CB 3.31Å; L1276-C1279 WeakPolarHBondContact O-CB 3.2Å; L1276-C1279 PolarHBondContact O-N 2.88Å; N1277-C1279 VanDerWaalsContact C-N 3.27Å; N1277-C1279 PolarHBondContact O-N 3.23Å; C1279-C1282 PolarHBondContact O-N 2.69Å |
| 1280 | V | 75 | Confident | 74.1 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.7 | -38.5 | 178.5 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | T1176 N1277 C1282 L1283 | T1176-V1280 HydrophobicContact CG2-CG2 3.84Å; N1277-V1280 PolarHBondContact O-N 3.47Å; V1280-C1282 PolarHBondContact O-N 3.49Å; V1280-L1283 WeakPolarHBondContact O-CG 3.16Å; V1280-L1283 PolarHBondContact O-N 3.35Å; V1280-L1283 VanDerWaalsContact O-N 3.14Å |
| 1281 | N | 71.9 | Confident | 73.9 | Confident | 54 Ų | 54 | 38.8 Ų | 38.8 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -5.8 | 178.3 | -66.7 | -23.5 | 0 | 0 | 0 | 114 | N1277 Q1287 D1290 K1400 | N1277-N1281 VanDerWaalsContact O-CG 3.3Å; N1277-N1281 PolarHBondContact O-N 3.19Å; N1277-N1281 VanDerWaalsContact O-N 3.14Å; N1277-N1281 PolarHBondContact O-ND2 3.29Å; N1281-Q1287 WeakPolarHBondContact O-CG 3.3Å; N1281-D1290 PolarHBondContact OD1-OD2 2.96Å; N1281-K1400 PolarHBondContact OD1-NZ 2.69Å |
| 1282 | C | 70.9 | Confident | 73.4 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -15.4 | 173.5 | -68.9 | 0 | 0 | 0 | 0 | 113.6 | L1226 L1234 S1278 C1279 V1280 Q1287 | L1226-C1282 HydrophobicContact CD1-CB 4.47Å; L1226-C1282 WeakPolarHBondContact CD1-O 3.43Å; L1234-C1282 VanDerWaalsContact CD1-SG 3.51Å; S1278-C1282 PolarHBondContact O-SG 2.67Å; S1278-C1282 VanDerWaalsContact O-SG 3.37Å; C1279-C1282 PolarHBondContact O-N 2.69Å; V1280-C1282 PolarHBondContact O-N 3.49Å; C1282-Q1287 PolarHBondContact O-NE2 3.31Å |
| 1283 | L | 69 | Low | 73.1 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -71.9 | 138.3 | -176.6 | -62.9 | 175.9 | 0 | 0 | 0 | 112.7 | C1169 L1172 V1219 V1280 G1285 Q1286 Q1287 | C1169-L1283 HydrophobicContact CB-CD1 4.21Å; C1169-L1283 HydrophobicContact CB-CD2 4.45Å; L1172-L1283 HydrophobicContact CD2-CD2 4.19Å; V1219-L1283 HydrophobicContact CG1-CD2 4.21Å; V1280-L1283 WeakPolarHBondContact O-CG 3.16Å; V1280-L1283 PolarHBondContact O-N 3.35Å; V1280-L1283 VanDerWaalsContact O-N 3.14Å; L1283-G1285 PolarHBondContact O-N 3.47Å; L1283-Q1286 HydrophobicContact CB-CB 4.4Å; L1283-Q1286 HydrophobicContact CB-CG 4.25Å; L1283-Q1286 WeakPolarHBondContact O-CB 3.07Å; L1283-Q1286 PolarHBondContact O-N 2.72Å; L1283-Q1287 PolarHBondContact O-N 3.27Å |
| 1284 | P | 61.1 | Low | 73.1 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -55.6 | -54.9 | -169.6 | 17.2 | -29.9 | 0 | 0 | 0 | 113.6 | V1223 Q1286 Q1287 | V1223-P1284 HydrophobicContact CG1-CG 4.37Å; P1284-Q1286 PolarHBondContact O-N 2.81Å; P1284-Q1287 PolarHBondContact O-N 3.25Å |
| 1285 | G | 63.1 | Low | 73 | Confident | 45 Ų | 45 | 38.2 Ų | 38.2 | 46% | 0.464 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.9 | -2.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1283 | L1283-G1285 PolarHBondContact O-N 3.47Å |
| 1286 | Q | 65.5 | Low | 73 | Confident | 14 Ų | 14 | 38.1 Ų | 38.1 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -97 | -26.9 | 171.8 | -67.7 | -70.1 | -38.4 | 0 | 0 | 111.7 | L1283 P1284 D1290 K1400 | L1283-Q1286 HydrophobicContact CB-CB 4.4Å; L1283-Q1286 HydrophobicContact CB-CG 4.25Å; L1283-Q1286 WeakPolarHBondContact O-CB 3.07Å; L1283-Q1286 PolarHBondContact O-N 2.72Å; P1284-Q1286 PolarHBondContact O-N 2.81Å; Q1286-D1290 PolarHBondContact O-N 2.72Å; Q1286-D1290 VanDerWaalsContact O-N 3.12Å; Q1286-K1400 PolarHBondContact NE2-O 3.02Å |
| 1287 | Q | 66.1 | Low | 72.9 | Confident | 85 Ų | 85 | 39.8 Ų | 39.8 | 40% | 0.397 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.2 | -37.5 | 179.2 | -66.8 | -172.4 | 29.4 | 0 | 0 | 112.3 | N1281 C1282 L1283 P1284 D1290 S1291 | N1281-Q1287 WeakPolarHBondContact O-CG 3.3Å; C1282-Q1287 PolarHBondContact O-NE2 3.31Å; L1283-Q1287 PolarHBondContact O-N 3.27Å; P1284-Q1287 PolarHBondContact O-N 3.25Å; Q1287-D1290 PolarHBondContact O-N 2.86Å; Q1287-S1291 WeakPolarHBondContact O-CB 3.23Å; Q1287-S1291 PolarHBondContact O-N 3.1Å |
| 1288 | D | 65.5 | Low | 73 | Confident | 83 Ų | 83 | 40.5 Ų | 40.5 | 44% | 0.444 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 179.5 | -54.7 | -36.2 | 0 | 0 | 0 | 111.5 | S1291 A1292 | D1288-S1291 VanDerWaalsContact O-CB 3.3Å; D1288-S1291 WeakPolarHBondContact O-CB 3.38Å; D1288-S1291 PolarHBondContact O-N 2.88Å; D1288-A1292 PolarHBondContact O-N 3.48Å |
| 1289 | V | 68.9 | Low | 73 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.3 | -40.3 | 177.3 | -163.5 | 0 | 0 | 0 | 0 | 110.7 | S1291 A1292 I1293 F1351 L1396 K1400 | V1289-S1291 VanDerWaalsContact C-N 3.28Å; V1289-S1291 PolarHBondContact O-N 3.28Å; V1289-A1292 PolarHBondContact O-N 2.94Å; V1289-I1293 HydrophobicContact CG1-CD1 4.12Å; V1289-I1293 WeakPolarHBondContact O-CB 3.24Å; V1289-I1293 VanDerWaalsContact O-CG1 3.29Å; V1289-I1293 WeakPolarHBondContact O-CG1 3.39Å; V1289-I1293 PolarHBondContact O-N 3.17Å; V1289-F1351 HydrophobicContact CB-CZ 4.41Å; V1289-F1351 HydrophobicContact CG1-CE1 4.27Å; V1289-F1351 HydrophobicContact CG1-CZ 4.17Å; V1289-F1351 HydrophobicContact CG2-CE2 4Å; V1289-F1351 HydrophobicContact CG2-CZ 3.72Å; V1289-L1396 WeakPolarHBondContact CG1-O 3.42Å; V1289-K1400 HydrophobicContact CB-CB 4.43Å; V1289-K1400 HydrophobicContact CB-CG 4.4Å; V1289-K1400 HydrophobicContact CG1-CB 3.79Å; V1289-K1400 HydrophobicContact CG1-CG 4.26Å |
| 1290 | D | 71.3 | Confident | 73 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 16% | 0.16 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68 | -25.9 | 173.3 | -88.6 | -7.6 | 0 | 0 | 0 | 113.3 | N1281 Q1286 Q1287 R1294 K1400 | N1281-D1290 PolarHBondContact OD1-OD2 2.96Å; Q1286-D1290 PolarHBondContact O-N 2.72Å; Q1286-D1290 VanDerWaalsContact O-N 3.12Å; Q1287-D1290 PolarHBondContact O-N 2.86Å; D1290-R1294 WeakPolarHBondContact O-CB 3.43Å; D1290-R1294 WeakPolarHBondContact O-CG 3.4Å; D1290-R1294 PolarHBondContact O-N 3.43Å; D1290-R1294 VanDerWaalsContact O-N 3.11Å; D1290-R1294 PolarHBondContact O-NE 3.48Å; D1290-K1400 WeakPolarHBondContact OD1-CE 3.5Å; D1290-K1400 IonicContact OD1-NZ 2.69Å; D1290-K1400 PolarHBondContact OD1-NZ 3.18Å; D1290-K1400 IonicContact OD2-NZ 3.92Å; D1290-K1400 PolarHBondContact OD2-NZ 3.24Å |
| 1291 | S | 72.3 | Confident | 73 | Confident | 62 Ų | 62 | 46.9 Ų | 46.9 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.1 | -48.4 | 170.6 | -165.3 | 0 | 0 | 0 | 0 | 110.4 | Q1287 D1288 V1289 R1294 S1295 | Q1287-S1291 WeakPolarHBondContact O-CB 3.23Å; Q1287-S1291 PolarHBondContact O-N 3.1Å; D1288-S1291 VanDerWaalsContact O-CB 3.3Å; D1288-S1291 WeakPolarHBondContact O-CB 3.38Å; D1288-S1291 PolarHBondContact O-N 2.88Å; V1289-S1291 VanDerWaalsContact C-N 3.28Å; V1289-S1291 PolarHBondContact O-N 3.28Å; S1291-R1294 PolarHBondContact O-N 2.9Å; S1291-S1295 WeakPolarHBondContact O-CB 3.44Å; S1291-S1295 PolarHBondContact O-N 2.75Å; S1291-S1295 PolarHBondContact O-OG 3.46Å |
| 1292 | A | 73.5 | Confident | 73 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 7% | 0.066 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1288 V1289 R1294 S1295 V1296 F1351 L1396 | D1288-A1292 PolarHBondContact O-N 3.48Å; V1289-A1292 PolarHBondContact O-N 2.94Å; A1292-R1294 PolarHBondContact O-N 2.89Å; A1292-S1295 PolarHBondContact O-N 3.09Å; A1292-V1296 WeakPolarHBondContact O-CG2 3.45Å; A1292-V1296 PolarHBondContact O-N 2.82Å; A1292-F1351 HydrophobicContact CB-CB 4.23Å; A1292-F1351 HydrophobicContact CB-CD1 4.25Å; A1292-F1351 HydrophobicContact CB-CG 4.37Å; A1292-L1396 HydrophobicContact CB-CD1 4.19Å; A1292-L1396 HydrophobicContact CB-CD2 4.44Å |
| 1293 | I | 77.9 | Confident | 73.1 | Confident | 25 Ų | 25 | 45.9 Ų | 45.9 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -47 | 177 | -71.1 | 167 | 0 | 0 | 0 | 110.6 | V1289 S1295 V1296 A1297 I1393 L1396 K1400 | V1289-I1293 HydrophobicContact CG1-CD1 4.12Å; V1289-I1293 WeakPolarHBondContact O-CB 3.24Å; V1289-I1293 VanDerWaalsContact O-CG1 3.29Å; V1289-I1293 WeakPolarHBondContact O-CG1 3.39Å; V1289-I1293 PolarHBondContact O-N 3.17Å; I1293-S1295 PolarHBondContact O-N 3.37Å; I1293-V1296 PolarHBondContact O-N 3.37Å; I1293-A1297 VanDerWaalsContact O-CB 3.31Å; I1293-A1297 WeakPolarHBondContact O-CB 3.35Å; I1293-A1297 PolarHBondContact O-N 3.41Å; I1293-I1393 HydrophobicContact CG2-CG2 4.41Å; I1293-L1396 HydrophobicContact CD1-CB 4.3Å; I1293-L1396 HydrophobicContact CG1-CB 3.61Å; I1293-L1396 HydrophobicContact CG1-CD1 4.3Å; I1293-K1400 HydrophobicContact CD1-CD 4.26Å |
| 1294 | R | 79.9 | Confident | 73.1 | Confident | 152 Ų | 152 | 47.2 Ų | 47.2 | 57% | 0.574 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | 175.8 | -78.6 | 176.6 | -74.4 | 172.4 | -4.2 | 112 | D1290 S1291 A1292 V1296 A1297 N1298 | D1290-R1294 WeakPolarHBondContact O-CB 3.43Å; D1290-R1294 WeakPolarHBondContact O-CG 3.4Å; D1290-R1294 PolarHBondContact O-N 3.43Å; D1290-R1294 VanDerWaalsContact O-N 3.11Å; D1290-R1294 PolarHBondContact O-NE 3.48Å; S1291-R1294 PolarHBondContact O-N 2.9Å; A1292-R1294 PolarHBondContact O-N 2.89Å; R1294-V1296 VanDerWaalsContact C-N 3.29Å; R1294-V1296 PolarHBondContact O-N 3.03Å; R1294-A1297 PolarHBondContact O-N 3.45Å; R1294-N1298 WeakPolarHBondContact O-CB 3.44Å; R1294-N1298 PolarHBondContact O-N 2.88Å; R1294-N1298 PolarHBondContact O-ND2 3.44Å |
| 1295 | S | 78.7 | Confident | 73.3 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.5 | -28.9 | 178.2 | -81 | 0 | 0 | 0 | 0 | 113.8 | S1291 A1292 I1293 | S1291-S1295 WeakPolarHBondContact O-CB 3.44Å; S1291-S1295 PolarHBondContact O-N 2.75Å; S1291-S1295 PolarHBondContact O-OG 3.46Å; A1292-S1295 PolarHBondContact O-N 3.09Å; I1293-S1295 PolarHBondContact O-N 3.37Å |
| 1296 | V | 82 | Confident | 73.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -82.4 | -40.8 | 172.3 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | A1292 I1293 R1294 N1298 L1299 T1355 L1358 V1389 I1393 L1396 | A1292-V1296 WeakPolarHBondContact O-CG2 3.45Å; A1292-V1296 PolarHBondContact O-N 2.82Å; I1293-V1296 PolarHBondContact O-N 3.37Å; R1294-V1296 VanDerWaalsContact C-N 3.29Å; R1294-V1296 PolarHBondContact O-N 3.03Å; V1296-N1298 VanDerWaalsContact C-N 3.27Å; V1296-N1298 PolarHBondContact O-N 3.48Å; V1296-L1299 WeakPolarHBondContact O-CA 3.24Å; V1296-L1299 WeakPolarHBondContact O-CB 3.43Å; V1296-L1299 PolarHBondContact O-N 3.16Å; V1296-T1355 HydrophobicContact CG2-CG2 4.44Å; V1296-L1358 HydrophobicContact CB-CD2 4.41Å; V1296-L1358 HydrophobicContact CG1-CD2 3.56Å; V1296-L1358 HydrophobicContact CG2-CD2 3.99Å; V1296-V1389 HydrophobicContact CG1-CG1 4.05Å; V1296-I1393 HydrophobicContact CB-CG1 4.42Å; V1296-I1393 HydrophobicContact CG1-CD1 4.45Å; V1296-I1393 HydrophobicContact CG1-CG1 3.71Å; V1296-L1396 HydrophobicContact CB-CD1 4.24Å; V1296-L1396 HydrophobicContact CG2-CD1 3.75Å |
| 1297 | A | 80.2 | Confident | 73.3 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.1 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1293 R1294 L1299 M1300 I1393 | I1293-A1297 VanDerWaalsContact O-CB 3.31Å; I1293-A1297 WeakPolarHBondContact O-CB 3.35Å; I1293-A1297 PolarHBondContact O-N 3.41Å; R1294-A1297 PolarHBondContact O-N 3.45Å; A1297-L1299 PolarHBondContact O-N 3.21Å; A1297-L1299 VanDerWaalsContact O-N 3.1Å; A1297-M1300 WeakPolarHBondContact O-CB 3.38Å; A1297-M1300 PolarHBondContact O-N 3.37Å; A1297-I1393 HydrophobicContact CB-CD1 4.3Å |
| 1298 | N | 80.5 | Confident | 73.1 | Confident | 102 Ų | 102 | 59.2 Ų | 59.2 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -17.4 | 172.5 | -69.6 | -23.4 | 0 | 0 | 0 | 114 | R1294 V1296 | R1294-N1298 WeakPolarHBondContact O-CB 3.44Å; R1294-N1298 PolarHBondContact O-N 2.88Å; R1294-N1298 PolarHBondContact O-ND2 3.44Å; V1296-N1298 VanDerWaalsContact C-N 3.27Å; V1296-N1298 PolarHBondContact O-N 3.48Å |
| 1299 | L | 81.1 | Confident | 73 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -77.5 | -29.7 | 171 | -57.6 | 175 | 0 | 0 | 0 | 111.8 | V1296 A1297 D1301 S1302 L1358 R1359 V1389 | V1296-L1299 WeakPolarHBondContact O-CA 3.24Å; V1296-L1299 WeakPolarHBondContact O-CB 3.43Å; V1296-L1299 PolarHBondContact O-N 3.16Å; A1297-L1299 PolarHBondContact O-N 3.21Å; A1297-L1299 VanDerWaalsContact O-N 3.1Å; L1299-D1301 VanDerWaalsContact C-N 3.3Å; L1299-D1301 PolarHBondContact O-N 3.42Å; L1299-S1302 WeakPolarHBondContact O-CB 3.16Å; L1299-S1302 PolarHBondContact O-N 3.36Å; L1299-S1302 PolarHBondContact O-OG 2.97Å; L1299-L1358 HydrophobicContact CD1-CB 4.49Å; L1299-L1358 HydrophobicContact CD1-CD2 4.03Å; L1299-L1358 HydrophobicContact CD1-CG 3.97Å; L1299-R1359 HydrophobicContact CD1-CB 4.3Å; L1299-R1359 HydrophobicContact CD2-CB 4.15Å; L1299-R1359 HydrophobicContact CD2-CG 3.94Å; L1299-V1389 HydrophobicContact CB-CG2 4.49Å |
| 1300 | M | 79.6 | Confident | 72.6 | Confident | 62 Ų | 62 | 66.1 Ų | 66.1 | 31% | 0.305 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 177.4 | -164.9 | 97.5 | 84.2 | 0 | 0 | 110.5 | A1297 S1302 I1303 V1389 D1390 I1393 | A1297-M1300 WeakPolarHBondContact O-CB 3.38Å; A1297-M1300 PolarHBondContact O-N 3.37Å; M1300-S1302 PolarHBondContact O-N 3.13Å; M1300-S1302 VanDerWaalsContact O-N 3.14Å; M1300-I1303 PolarHBondContact O-N 3.48Å; M1300-V1389 HydrophobicContact CB-CG1 4.23Å; M1300-V1389 HydrophobicContact SD-CB 4.47Å; M1300-V1389 HydrophobicContact SD-CG1 4.11Å; M1300-D1390 HydrophobicContact CE-CB 4.5Å; M1300-I1393 HydrophobicContact CE-CD1 3.94Å |
| 1301 | D | 74 | Confident | 72.2 | Confident | 109 Ų | 109 | 65.4 Ų | 65.4 | 58% | 0.583 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.5 | 176.3 | -73.3 | -17.8 | 0 | 0 | 0 | 113.7 | L1299 K1307 | L1299-D1301 VanDerWaalsContact C-N 3.3Å; L1299-D1301 PolarHBondContact O-N 3.42Å; D1301-K1307 PolarHBondContact O-NZ 3.11Å |
| 1302 | S | 72.6 | Confident | 71.9 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 27% | 0.266 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -18.9 | 175.9 | 77.4 | 0 | 0 | 0 | 0 | 113.2 | L1299 M1300 S1304 M1366 | L1299-S1302 WeakPolarHBondContact O-CB 3.16Å; L1299-S1302 PolarHBondContact O-N 3.36Å; L1299-S1302 PolarHBondContact O-OG 2.97Å; M1300-S1302 PolarHBondContact O-N 3.13Å; M1300-S1302 VanDerWaalsContact O-N 3.14Å; S1302-S1304 PolarHBondContact O-N 2.87Å; S1302-M1366 WeakPolarHBondContact O-CE 3.4Å |
| 1303 | I | 71.7 | Confident | 71.7 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -92.1 | 78.6 | -174.9 | -53.7 | 160.2 | 0 | 0 | 0 | 110.4 | M1300 V1362 L1382 T1385 R1386 V1389 | M1300-I1303 PolarHBondContact O-N 3.48Å; I1303-V1362 HydrophobicContact CD1-CG1 4.27Å; I1303-V1362 HydrophobicContact CD1-CG2 4.31Å; I1303-V1362 HydrophobicContact CG1-CG1 3.83Å; I1303-L1382 HydrophobicContact CG2-CB 4.3Å; I1303-L1382 HydrophobicContact CG2-CD2 3.84Å; I1303-T1385 HydrophobicContact CD1-CG2 3.69Å; I1303-T1385 HydrophobicContact CG1-CG2 4.16Å; I1303-T1385 HydrophobicContact CG2-CG2 4.49Å; I1303-R1386 HydrophobicContact CB-CG 4.12Å; I1303-R1386 HydrophobicContact CD1-CG 4.4Å; I1303-R1386 HydrophobicContact CG2-CG 3.76Å; I1303-R1386 PolarHBondContact O-NE 3.5Å; I1303-R1386 VanDerWaalsContact O-NE 3.08Å; I1303-R1386 PolarHBondContact O-NH2 3.42Å; I1303-V1389 HydrophobicContact CD1-CB 4.32Å; I1303-V1389 HydrophobicContact CD1-CG2 3.66Å | ||
| 1304 | S | 69.9 | Low | 71.3 | Confident | 38 Ų | 38 | 74.7 Ų | 74.7 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -137.3 | 150.3 | 174.3 | -82 | 0 | 0 | 0 | 0 | 111.5 | S1302 E1306 K1307 | S1302-S1304 PolarHBondContact O-N 2.87Å; S1304-E1306 PolarHBondContact O-N 3.47Å; S1304-E1306 VanDerWaalsContact O-N 3.13Å; S1304-K1307 PolarHBondContact O-N 3.46Å |
| 1305 | I | 64.9 | Low | 70.6 | Confident | 107 Ų | 107 | 69.7 Ų | 69.7 | 55% | 0.549 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -54.3 | -33.5 | 176.9 | -63.2 | 171 | 0 | 0 | 0 | 111.2 | K1307 I1308 L1382 | I1305-K1307 VanDerWaalsContact C-N 3.27Å; I1305-K1307 PolarHBondContact O-N 3.11Å; I1305-I1308 HydrophobicContact CG2-CD1 4.49Å; I1305-I1308 WeakPolarHBondContact O-CG1 3.34Å; I1305-L1382 HydrophobicContact CB-CD1 4.38Å; I1305-L1382 HydrophobicContact CG1-CD1 3.46Å; I1305-L1382 VanDerWaalsContact CG1-CD1 3.46Å |
| 1306 | E | 64.6 | Low | 70.2 | Confident | 188 Ų | 188 | 72.4 Ų | 72.4 | 88% | 0.879 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -70 | -15.5 | 178.5 | -58.3 | 179.7 | 164.8 | 0 | 0 | 114.6 | S1304 | S1304-E1306 PolarHBondContact O-N 3.47Å; S1304-E1306 VanDerWaalsContact O-N 3.13Å |
| 1307 | K | 63.9 | Low | 69.8 | Low | 112 Ų | 112 | 77.8 Ų | 77.8 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -110.6 | 12.9 | -173.4 | -67.1 | -177 | 179 | 176.2 | 0 | 113.7 | D1301 S1304 I1305 T1309 M1366 | D1301-K1307 PolarHBondContact O-NZ 3.11Å; S1304-K1307 PolarHBondContact O-N 3.46Å; I1305-K1307 VanDerWaalsContact C-N 3.27Å; I1305-K1307 PolarHBondContact O-N 3.11Å; K1307-T1309 PolarHBondContact O-N 3.46Å; K1307-M1366 VanDerWaalsContact C-CE 3.47Å; K1307-M1366 HydrophobicContact CB-CE 4.04Å; K1307-M1366 VanDerWaalsContact O-CE 3.31Å; K1307-M1366 WeakPolarHBondContact O-CE 3.44Å |
| 1308 | I | 63 | Low | 69.4 | Low | 40 Ų | 40 | 76 Ų | 76 | 21% | 0.205 | 40% | 0.404 | C | S | . | . | trans | -64.5 | 115.5 | -179.8 | -65.6 | 173.6 | 0 | 0 | 0 | 110.5 | I1305 M1366 A1369 Y1370 R1378 | I1305-I1308 HydrophobicContact CG2-CD1 4.49Å; I1305-I1308 WeakPolarHBondContact O-CG1 3.34Å; I1308-M1366 HydrophobicContact CG1-CE 4.14Å; I1308-A1369 HydrophobicContact CD1-CB 4.44Å; I1308-Y1370 HydrophobicContact CG2-CD2 4.38Å; I1308-R1378 HydrophobicContact CD1-CG 4.31Å | ||
| 1309 | T | 62.1 | Low | 69 | Low | 70 Ų | 70 | 72.5 Ų | 72.5 | 43% | 0.429 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -79 | 128.3 | 178 | 41 | 0 | 0 | 0 | 0 | 111.7 | K1307 S1311 | K1307-T1309 PolarHBondContact O-N 3.46Å; T1309-S1311 PolarHBondContact O-N 2.98Å |
| 1310 | Q | 61 | Low | 68.6 | Low | 159 Ų | 159 | 76.3 Ų | 76.3 | 74% | 0.743 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 123.7 | 170.2 | -73.2 | -174.8 | -22 | 0 | 0 | 110.3 | Y1370 | Q1310-Y1370 HydrophobicContact CB-CE1 4.46Å; Q1310-Y1370 HydrophobicContact CB-CE2 4.44Å; Q1310-Y1370 HydrophobicContact CG-CD2 4.21Å; Q1310-Y1370 HydrophobicContact CG-CE1 4.48Å; Q1310-Y1370 HydrophobicContact CG-CE2 3.71Å |
| 1311 | S | 62.2 | Low | 68.6 | Low | 15 Ų | 15 | 74.5 Ų | 74.5 | 11% | 0.105 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -101.5 | 146.1 | 171.6 | -166 | 0 | 0 | 0 | 0 | 112 | T1309 R1313 E1367 | T1309-S1311 PolarHBondContact O-N 2.98Å; S1311-R1313 PolarHBondContact OG-N 3.36Å; S1311-E1367 WeakPolarHBondContact CB-OE2 3.4Å; S1311-E1367 PolarHBondContact OG-OE2 2.96Å |
| 1312 | V | 67 | Low | 68.9 | Low | 154 Ų | 154 | 69.3 Ų | 69.3 | 93% | 0.933 | 37% | 0.368 | S | S | * | . | trans | -97.1 | -9.5 | 172.7 | -168.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1313 | R | 70.2 | Confident | 69 | Low | 81 Ų | 81 | 70.9 Ų | 70.9 | 31% | 0.306 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -75.9 | 156.9 | -177.2 | -60.8 | -165.6 | -91.9 | 178.8 | -7.6 | 111 | S1311 V1318 D1321 E1367 H1371 | S1311-R1313 PolarHBondContact OG-N 3.36Å; R1313-V1318 HydrophobicContact CB-CG2 3.59Å; R1313-D1321 IonicContact CZ-OD2 2.69Å; R1313-D1321 IonicContact NH1-OD2 2.64Å; R1313-D1321 PolarHBondContact NH1-OD2 2.78Å; R1313-E1367 IonicContact CZ-OE1 3.96Å; R1313-E1367 IonicContact CZ-OE2 2.74Å; R1313-E1367 VanDerWaalsContact CZ-OE2 3.31Å; R1313-E1367 IonicContact NE-OE1 3.74Å; R1313-E1367 IonicContact NE-OE2 3.96Å; R1313-E1367 PolarHBondContact NE-OE2 3.1Å; R1313-E1367 IonicContact NH2-OE1 3.94Å; R1313-E1367 PolarHBondContact NH2-OE1 3.49Å; R1313-E1367 IonicContact NH2-OE2 3.9Å; R1313-E1367 PolarHBondContact NH2-OE2 3.35Å; R1313-H1371 PolarHBondContact O-CE1 3.06Å; R1313-H1371 PolarHBondContact O-NE2 3.13Å; R1313-H1371 VanDerWaalsContact O-NE2 3.15Å |
| 1314 | S | 68.2 | Low | 69.4 | Low | 55 Ų | 55 | 77.7 Ų | 77.7 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | trans | -76.4 | 148.4 | 172.6 | 69.1 | 0 | 0 | 0 | 0 | 111 | V1316 E1317 V1318 | S1314-V1316 PolarHBondContact O-N 2.81Å; S1314-V1316 VanDerWaalsContact O-N 3.08Å; S1314-E1317 VanDerWaalsContact CB-OE2 3.28Å; S1314-E1317 WeakPolarHBondContact CB-OE2 3.5Å; S1314-E1317 PolarHBondContact N-OE2 2.93Å; S1314-E1317 PolarHBondContact O-N 3.04Å; S1314-E1317 VanDerWaalsContact OG-CG 3.24Å; S1314-E1317 WeakPolarHBondContact OG-CG 3.26Å; S1314-E1317 PolarHBondContact OG-N 2.66Å; S1314-E1317 PolarHBondContact OG-OE2 3.5Å; S1314-V1318 WeakPolarHBondContact O-CG2 3.38Å; S1314-V1318 PolarHBondContact O-N 3.18Å | ||
| 1315 | S | 65 | Low | 70.1 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 33% | 0.329 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -52.3 | -34.7 | 177.7 | -172.5 | 0 | 0 | 0 | 0 | 112.7 | Q1319 | S1315-Q1319 WeakPolarHBondContact O-CB 3.5Å; S1315-Q1319 VanDerWaalsContact O-CG 3.24Å; S1315-Q1319 WeakPolarHBondContact O-CG 3.35Å; S1315-Q1319 PolarHBondContact O-N 3.44Å |
| 1316 | V | 71.1 | Confident | 70.6 | Confident | 99 Ų | 99 | 71 Ų | 71 | 60% | 0.6 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.4 | -44.9 | 177.9 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | S1314 V1318 Q1319 D1320 | S1314-V1316 PolarHBondContact O-N 2.81Å; S1314-V1316 VanDerWaalsContact O-N 3.08Å; V1316-V1318 VanDerWaalsContact C-N 3.31Å; V1316-V1318 PolarHBondContact O-N 3.14Å; V1316-Q1319 PolarHBondContact O-N 3.07Å; V1316-D1320 PolarHBondContact O-N 3.24Å |
| 1317 | E | 72.8 | Confident | 71.3 | Confident | 113 Ų | 113 | 65.6 Ų | 65.6 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 175.6 | -71.2 | 161.9 | 134.1 | 0 | 0 | 111.8 | S1314 D1320 D1321 | S1314-E1317 VanDerWaalsContact CB-OE2 3.28Å; S1314-E1317 WeakPolarHBondContact CB-OE2 3.5Å; S1314-E1317 PolarHBondContact N-OE2 2.93Å; S1314-E1317 PolarHBondContact O-N 3.04Å; S1314-E1317 VanDerWaalsContact OG-CG 3.24Å; S1314-E1317 WeakPolarHBondContact OG-CG 3.26Å; S1314-E1317 PolarHBondContact OG-N 2.66Å; S1314-E1317 PolarHBondContact OG-OE2 3.5Å; E1317-D1320 PolarHBondContact O-N 3.25Å; E1317-D1321 PolarHBondContact O-N 3.49Å; E1317-D1321 VanDerWaalsContact O-N 3.08Å |
| 1318 | V | 72.4 | Confident | 72.2 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67 | -40.5 | 176.8 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | R1313 S1314 V1316 D1321 I1322 I1364 E1367 L1368 | R1313-V1318 HydrophobicContact CB-CG2 3.59Å; S1314-V1318 WeakPolarHBondContact O-CG2 3.38Å; S1314-V1318 PolarHBondContact O-N 3.18Å; V1316-V1318 VanDerWaalsContact C-N 3.31Å; V1316-V1318 PolarHBondContact O-N 3.14Å; V1318-D1321 PolarHBondContact O-N 3.27Å; V1318-I1322 WeakPolarHBondContact O-CG1 3.4Å; V1318-I1322 PolarHBondContact O-N 2.8Å; V1318-I1322 VanDerWaalsContact O-N 3.09Å; V1318-I1364 HydrophobicContact CG1-CG2 3.66Å; V1318-I1364 WeakPolarHBondContact CG1-O 3.42Å; V1318-I1364 WeakPolarHBondContact O-CG2 3.41Å; V1318-E1367 HydrophobicContact CG1-CB 4.43Å; V1318-L1368 HydrophobicContact CB-CD1 4.12Å; V1318-L1368 HydrophobicContact CG1-CB 3.68Å; V1318-L1368 HydrophobicContact CG1-CD1 3.82Å; V1318-L1368 HydrophobicContact CG1-CG 4.29Å |
| 1319 | Q | 71.2 | Confident | 73.2 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 174.8 | -78 | 175.8 | -14.5 | 0 | 0 | 113.3 | S1315 V1316 I1322 H1323 L1368 C1433 S1435 | S1315-Q1319 WeakPolarHBondContact O-CB 3.5Å; S1315-Q1319 VanDerWaalsContact O-CG 3.24Å; S1315-Q1319 WeakPolarHBondContact O-CG 3.35Å; S1315-Q1319 PolarHBondContact O-N 3.44Å; V1316-Q1319 PolarHBondContact O-N 3.07Å; Q1319-I1322 PolarHBondContact O-N 3.44Å; Q1319-H1323 PolarHBondContact O-N 3.23Å; Q1319-L1368 HydrophobicContact CG-CD1 4.12Å; Q1319-L1368 HydrophobicContact CG-CD2 4.31Å; Q1319-C1433 PolarHBondContact NE2-O 2.84Å; Q1319-S1435 VanDerWaalsContact NE2-N 3.19Å; Q1319-S1435 PolarHBondContact NE2-OG 3.22Å; Q1319-S1435 VanDerWaalsContact NE2-OG 3.09Å; Q1319-S1435 PolarHBondContact OE1-OG 3.33Å |
| 1320 | D | 73.8 | Confident | 74.1 | Confident | 88 Ų | 88 | 60.2 Ų | 60.2 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 175.5 | -110.6 | 29.3 | 0 | 0 | 0 | 111.9 | V1316 E1317 I1322 H1323 R1324 | V1316-D1320 PolarHBondContact O-N 3.24Å; E1317-D1320 PolarHBondContact O-N 3.25Å; D1320-I1322 VanDerWaalsContact C-N 3.35Å; D1320-H1323 PolarHBondContact O-N 3.16Å; D1320-R1324 PolarHBondContact O-N 3.35Å |
| 1321 | D | 79 | Confident | 75 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.2 | -34.4 | 176 | -107.6 | 6.3 | 0 | 0 | 0 | 112.1 | R1313 E1317 V1318 R1324 C1325 R1360 I1364 | R1313-D1321 IonicContact CZ-OD2 2.69Å; R1313-D1321 IonicContact NH1-OD2 2.64Å; R1313-D1321 PolarHBondContact NH1-OD2 2.78Å; E1317-D1321 PolarHBondContact O-N 3.49Å; E1317-D1321 VanDerWaalsContact O-N 3.08Å; V1318-D1321 PolarHBondContact O-N 3.27Å; D1321-R1324 PolarHBondContact O-N 2.97Å; D1321-C1325 WeakPolarHBondContact O-CB 3.21Å; D1321-C1325 PolarHBondContact O-N 3.11Å; D1321-C1325 PolarHBondContact O-SG 3.34Å; D1321-R1360 IonicContact OD1-NH2 3.92Å; D1321-I1364 HydrophobicContact CB-CD1 4.1Å; D1321-I1364 HydrophobicContact CB-CG2 4.14Å |
| 1322 | I | 80 | Confident | 76 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 171.6 | -69 | 173.8 | 0 | 0 | 0 | 110.5 | V1318 Q1319 D1320 R1324 C1325 A1326 I1364 V1365 L1368 V1430 C1433 | V1318-I1322 WeakPolarHBondContact O-CG1 3.4Å; V1318-I1322 PolarHBondContact O-N 2.8Å; V1318-I1322 VanDerWaalsContact O-N 3.09Å; Q1319-I1322 PolarHBondContact O-N 3.44Å; D1320-I1322 VanDerWaalsContact C-N 3.35Å; I1322-R1324 VanDerWaalsContact C-N 3.32Å; I1322-R1324 PolarHBondContact O-N 3.4Å; I1322-C1325 PolarHBondContact O-N 2.92Å; I1322-A1326 VanDerWaalsContact O-CB 3.22Å; I1322-A1326 WeakPolarHBondContact O-CB 3.44Å; I1322-A1326 PolarHBondContact O-N 3.08Å; I1322-I1364 HydrophobicContact CD1-CG2 4.22Å; I1322-I1364 HydrophobicContact CG1-CB 4.31Å; I1322-I1364 HydrophobicContact CG1-CG2 3.46Å; I1322-I1364 VanDerWaalsContact CG1-CG2 3.46Å; I1322-V1365 HydrophobicContact CD1-CG2 4.21Å; I1322-L1368 HydrophobicContact CD1-CB 4.35Å; I1322-L1368 HydrophobicContact CD1-CD2 3.6Å; I1322-V1430 HydrophobicContact CG2-CG2 4.11Å; I1322-C1433 HydrophobicContact CD1-CB 3.67Å |
| 1323 | H | 75.9 | Confident | 76.8 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 32% | 0.324 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 178.7 | -90.9 | -70 | 0 | 0 | 0 | 113.1 | Q1319 D1320 S1327 | Q1319-H1323 PolarHBondContact O-N 3.23Å; D1320-H1323 PolarHBondContact O-N 3.16Å; H1323-S1327 PolarHBondContact O-N 3.09Å; H1323-S1327 PolarHBondContact O-OG 3.46Å |
| 1324 | R | 80.1 | Confident | 77.1 | Confident | 144 Ų | 144 | 50 Ų | 50 | 54% | 0.543 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.2 | -47.7 | 174.7 | -67.2 | -177.2 | -160.3 | 156.7 | 11.1 | 111.9 | D1320 D1321 I1322 A1326 S1327 Q1328 | D1320-R1324 PolarHBondContact O-N 3.35Å; D1321-R1324 PolarHBondContact O-N 2.97Å; I1322-R1324 VanDerWaalsContact C-N 3.32Å; I1322-R1324 PolarHBondContact O-N 3.4Å; R1324-A1326 PolarHBondContact O-N 3.17Å; R1324-S1327 PolarHBondContact O-N 3.42Å; R1324-Q1328 WeakPolarHBondContact O-CG 3.31Å; R1324-Q1328 PolarHBondContact O-N 3.21Å |
| 1325 | C | 83 | Confident | 77.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.6 | -34.6 | -177.3 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | D1321 I1322 L1329 R1360 L1361 I1364 | D1321-C1325 WeakPolarHBondContact O-CB 3.21Å; D1321-C1325 PolarHBondContact O-N 3.11Å; D1321-C1325 PolarHBondContact O-SG 3.34Å; I1322-C1325 PolarHBondContact O-N 2.92Å; C1325-L1329 VanDerWaalsContact O-CB 3.24Å; C1325-L1329 WeakPolarHBondContact O-CB 3.45Å; C1325-L1329 PolarHBondContact O-N 3.38Å; C1325-R1360 PolarHBondContact SG-NE 2.87Å; C1325-L1361 HydrophobicContact CB-CD1 4.19Å; C1325-I1364 HydrophobicContact CB-CD1 4.2Å; C1325-I1364 WeakPolarHBondContact SG-CD1 3.41Å |
| 1326 | A | 76.8 | Confident | 78.4 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1322 R1324 Q1328 L1329 T1330 I1426 V1430 | I1322-A1326 VanDerWaalsContact O-CB 3.22Å; I1322-A1326 WeakPolarHBondContact O-CB 3.44Å; I1322-A1326 PolarHBondContact O-N 3.08Å; R1324-A1326 PolarHBondContact O-N 3.17Å; A1326-Q1328 PolarHBondContact O-N 2.99Å; A1326-L1329 PolarHBondContact O-N 3.1Å; A1326-T1330 PolarHBondContact O-N 2.97Å; A1326-T1330 PolarHBondContact O-OG1 3.17Å; A1326-T1330 VanDerWaalsContact O-OG1 3.04Å; A1326-I1426 HydrophobicContact CB-CG2 3.62Å; A1326-V1430 HydrophobicContact CB-CG2 3.66Å |
| 1327 | S | 77.9 | Confident | 78.7 | Confident | 76 Ų | 76 | 46.2 Ų | 46.2 | 53% | 0.531 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 177 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | H1323 R1324 T1330 E1331 | H1323-S1327 PolarHBondContact O-N 3.09Å; H1323-S1327 PolarHBondContact O-OG 3.46Å; R1324-S1327 PolarHBondContact O-N 3.42Å; S1327-T1330 PolarHBondContact O-N 3.1Å; S1327-E1331 PolarHBondContact O-N 2.91Å |
| 1328 | Q | 82.6 | Confident | 78.7 | Confident | 88 Ų | 88 | 43.2 Ų | 43.2 | 41% | 0.411 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 176.9 | -73.3 | -176.4 | -38.4 | 0 | 0 | 112.3 | R1324 A1326 T1330 E1331 I1332 | R1324-Q1328 WeakPolarHBondContact O-CG 3.31Å; R1324-Q1328 PolarHBondContact O-N 3.21Å; A1326-Q1328 PolarHBondContact O-N 2.99Å; Q1328-T1330 VanDerWaalsContact C-N 3.35Å; Q1328-E1331 PolarHBondContact O-N 3.18Å; Q1328-I1332 WeakPolarHBondContact O-CD1 3.46Å; Q1328-I1332 VanDerWaalsContact O-CG1 3.25Å; Q1328-I1332 WeakPolarHBondContact O-CG1 3.36Å; Q1328-I1332 PolarHBondContact O-N 3.36Å |
| 1329 | L | 85.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.7 | -37.4 | 177.5 | -173.3 | 60.5 | 0 | 0 | 0 | 111.4 | C1325 A1326 T1333 F1354 C1357 L1358 L1361 V1388 I1426 | C1325-L1329 VanDerWaalsContact O-CB 3.24Å; C1325-L1329 WeakPolarHBondContact O-CB 3.45Å; C1325-L1329 PolarHBondContact O-N 3.38Å; A1326-L1329 PolarHBondContact O-N 3.1Å; L1329-T1333 VanDerWaalsContact O-CB 3.27Å; L1329-T1333 WeakPolarHBondContact O-CB 3.36Å; L1329-T1333 PolarHBondContact O-N 3.34Å; L1329-T1333 PolarHBondContact O-OG1 3.45Å; L1329-F1354 HydrophobicContact CD1-CD2 3.8Å; L1329-F1354 HydrophobicContact CD1-CE2 3.7Å; L1329-F1354 HydrophobicContact CD1-CZ 4.43Å; L1329-C1357 HydrophobicContact CD1-CB 4.23Å; L1329-L1358 HydrophobicContact CD1-CB 4.38Å; L1329-L1358 HydrophobicContact CD2-CD1 4.02Å; L1329-L1361 HydrophobicContact CD2-CD2 3.61Å; L1329-V1388 HydrophobicContact CD2-CG1 4.5Å; L1329-I1426 HydrophobicContact CB-CD1 4.24Å; L1329-I1426 HydrophobicContact CD2-CD1 3.61Å; L1329-I1426 HydrophobicContact CD2-CG1 4.07Å; L1329-I1426 HydrophobicContact CG-CD1 3.78Å |
| 1330 | T | 79.8 | Confident | 78.5 | Confident | 20 Ų | 20 | 42 Ų | 42 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 172.2 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | A1326 S1327 Q1328 T1333 N1334 T1423 | A1326-T1330 PolarHBondContact O-N 2.97Å; A1326-T1330 PolarHBondContact O-OG1 3.17Å; A1326-T1330 VanDerWaalsContact O-OG1 3.04Å; S1327-T1330 PolarHBondContact O-N 3.1Å; Q1328-T1330 VanDerWaalsContact C-N 3.35Å; T1330-T1333 WeakPolarHBondContact O-CB 3.48Å; T1330-T1333 PolarHBondContact O-N 3.3Å; T1330-N1334 PolarHBondContact O-N 3.02Å; T1330-T1423 HydrophobicContact CG2-CG2 4.28Å |
| 1331 | E | 80.9 | Confident | 78.2 | Confident | 126 Ų | 126 | 39.6 Ų | 39.6 | 59% | 0.589 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -61.4 | -46 | 175.4 | -173.4 | -174.9 | 168.3 | 0 | 0 | 112 | S1327 Q1328 T1333 N1334 R1335 | S1327-E1331 PolarHBondContact O-N 2.91Å; Q1328-E1331 PolarHBondContact O-N 3.18Å; E1331-T1333 VanDerWaalsContact C-N 3.34Å; E1331-T1333 PolarHBondContact O-N 3.41Å; E1331-N1334 PolarHBondContact O-N 3.12Å; E1331-R1335 PolarHBondContact O-N 3.38Å |
| 1332 | I | 83.7 | Confident | 77.4 | Confident | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.097 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.7 | -35.1 | 177.7 | -62.4 | 161.3 | 0 | 0 | 0 | 111 | Q1328 N1334 R1335 L1336 D1353 F1354 C1357 | Q1328-I1332 WeakPolarHBondContact O-CD1 3.46Å; Q1328-I1332 VanDerWaalsContact O-CG1 3.25Å; Q1328-I1332 WeakPolarHBondContact O-CG1 3.36Å; Q1328-I1332 PolarHBondContact O-N 3.36Å; I1332-N1334 PolarHBondContact O-N 2.61Å; I1332-R1335 PolarHBondContact O-N 3.06Å; I1332-L1336 WeakPolarHBondContact O-CB 3.37Å; I1332-L1336 PolarHBondContact O-N 2.94Å; I1332-D1353 HydrophobicContact CD1-CB 4.4Å; I1332-D1353 HydrophobicContact CG2-CB 4.22Å; I1332-F1354 HydrophobicContact CG2-CB 3.78Å; I1332-F1354 HydrophobicContact CG2-CD2 4.18Å; I1332-C1357 HydrophobicContact CD1-CB 3.68Å |
| 1333 | T | 82.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 172.3 | -63.3 | 0 | 0 | 0 | 0 | 110.8 | L1329 T1330 E1331 L1336 V1337 L1395 A1419 L1422 | L1329-T1333 VanDerWaalsContact O-CB 3.27Å; L1329-T1333 WeakPolarHBondContact O-CB 3.36Å; L1329-T1333 PolarHBondContact O-N 3.34Å; L1329-T1333 PolarHBondContact O-OG1 3.45Å; T1330-T1333 WeakPolarHBondContact O-CB 3.48Å; T1330-T1333 PolarHBondContact O-N 3.3Å; E1331-T1333 VanDerWaalsContact C-N 3.34Å; E1331-T1333 PolarHBondContact O-N 3.41Å; T1333-L1336 PolarHBondContact O-N 3.06Å; T1333-V1337 WeakPolarHBondContact O-CG2 3.44Å; T1333-V1337 PolarHBondContact O-N 3.34Å; T1333-L1395 HydrophobicContact CG2-CD2 3.84Å; T1333-A1419 HydrophobicContact CG2-CB 3.89Å; T1333-L1422 HydrophobicContact CG2-CD2 4.18Å |
| 1334 | N | 77.5 | Confident | 75.5 | Confident | 51 Ų | 51 | 52 Ų | 52 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 176.4 | -67 | -14.1 | 0 | 0 | 0 | 111.9 | T1330 E1331 I1332 S1338 | T1330-N1334 PolarHBondContact O-N 3.02Å; E1331-N1334 PolarHBondContact O-N 3.12Å; I1332-N1334 PolarHBondContact O-N 2.61Å; N1334-S1338 WeakPolarHBondContact O-CB 3.36Å; N1334-S1338 PolarHBondContact O-N 2.95Å; N1334-S1338 PolarHBondContact O-OG 3.43Å |
| 1335 | R | 80.4 | Confident | 74.3 | Confident | 103 Ų | 103 | 51.5 Ų | 51.5 | 39% | 0.389 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 171.6 | -76 | 178.8 | 64.1 | -146.7 | -4.8 | 111.4 | E1331 I1332 S1338 G1339 V1350 D1353 | E1331-R1335 PolarHBondContact O-N 3.38Å; I1332-R1335 PolarHBondContact O-N 3.06Å; R1335-S1338 PolarHBondContact O-N 3.01Å; R1335-S1338 PolarHBondContact O-OG 2.91Å; R1335-G1339 PolarHBondContact O-N 3.33Å; R1335-V1350 HydrophobicContact CB-CG1 4.29Å; R1335-D1353 IonicContact CZ-OD2 3.74Å; R1335-D1353 IonicContact NH1-OD2 3.58Å; R1335-D1353 PolarHBondContact NH1-OD2 3.44Å; R1335-D1353 IonicContact NH2-OD2 2.69Å |
| 1336 | L | 80.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.8 | -48.1 | -179.9 | -178.3 | 64.9 | 0 | 0 | 0 | 111.9 | I1332 T1333 S1338 G1339 A1340 L1347 V1350 F1351 F1354 L1395 L1396 V1399 | I1332-L1336 WeakPolarHBondContact O-CB 3.37Å; I1332-L1336 PolarHBondContact O-N 2.94Å; T1333-L1336 PolarHBondContact O-N 3.06Å; L1336-S1338 VanDerWaalsContact C-N 3.33Å; L1336-S1338 PolarHBondContact O-N 3.21Å; L1336-G1339 PolarHBondContact O-N 3.05Å; L1336-A1340 WeakPolarHBondContact O-CB 3.39Å; L1336-A1340 PolarHBondContact O-N 3.26Å; L1336-L1347 HydrophobicContact CD1-CD2 4.11Å; L1336-V1350 HydrophobicContact CB-CG1 3.96Å; L1336-V1350 HydrophobicContact CD1-CG1 4.06Å; L1336-F1351 HydrophobicContact CD1-CD1 3.82Å; L1336-F1351 HydrophobicContact CD1-CE1 3.71Å; L1336-F1351 HydrophobicContact CD1-CZ 4.36Å; L1336-F1354 HydrophobicContact CD2-CD2 4.42Å; L1336-L1395 HydrophobicContact CD2-CD2 4.05Å; L1336-L1395 HydrophobicContact CD2-CG 4.31Å; L1336-L1396 HydrophobicContact CD2-CD2 4.15Å; L1336-V1399 HydrophobicContact CD2-CG2 4.26Å; L1336-V1399 HydrophobicContact CG-CG2 4.17Å |
| 1337 | V | 76.5 | Confident | 72.6 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 11% | 0.109 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 174.2 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | T1333 G1339 V1341 L1395 L1415 A1419 | T1333-V1337 WeakPolarHBondContact O-CG2 3.44Å; T1333-V1337 PolarHBondContact O-N 3.34Å; V1337-G1339 PolarHBondContact O-N 3.41Å; V1337-V1341 WeakPolarHBondContact O-CG2 3.27Å; V1337-V1341 PolarHBondContact O-N 2.97Å; V1337-L1395 HydrophobicContact CG2-CD1 4.47Å; V1337-L1415 HydrophobicContact CG1-CD2 4.19Å; V1337-L1415 HydrophobicContact CG1-CG 4.25Å; V1337-L1415 HydrophobicContact CG2-CD1 4.17Å; V1337-L1415 HydrophobicContact CG2-CG 4.15Å; V1337-A1419 HydrophobicContact CG2-CB 3.77Å |
| 1338 | S | 74.1 | Confident | 72.1 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.5 | -34.4 | 179.9 | 80 | 0 | 0 | 0 | 0 | 113.7 | N1334 R1335 L1336 K1342 | N1334-S1338 WeakPolarHBondContact O-CB 3.36Å; N1334-S1338 PolarHBondContact O-N 2.95Å; N1334-S1338 PolarHBondContact O-OG 3.43Å; R1335-S1338 PolarHBondContact O-N 3.01Å; R1335-S1338 PolarHBondContact O-OG 2.91Å; L1336-S1338 VanDerWaalsContact C-N 3.33Å; L1336-S1338 PolarHBondContact O-N 3.21Å; S1338-K1342 VanDerWaalsContact O-CB 3.27Å; S1338-K1342 WeakPolarHBondContact O-CB 3.36Å; S1338-K1342 VanDerWaalsContact O-CG 3.27Å; S1338-K1342 WeakPolarHBondContact O-CG 3.46Å; S1338-K1342 PolarHBondContact O-N 2.72Å; S1338-K1342 VanDerWaalsContact O-N 3.08Å |
| 1339 | G | 70.9 | Confident | 71.5 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.1 | -40.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1335 L1336 V1337 Q1343 Q1344 | R1335-G1339 PolarHBondContact O-N 3.33Å; L1336-G1339 PolarHBondContact O-N 3.05Å; V1337-G1339 PolarHBondContact O-N 3.41Å; G1339-Q1343 PolarHBondContact O-N 3.44Å; G1339-Q1344 PolarHBondContact O-N 2.92Å |
| 1340 | A | 68.2 | Low | 71.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59 | -55.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1336 K1342 Q1343 V1399 Y1402 L1415 | L1336-A1340 WeakPolarHBondContact O-CB 3.39Å; L1336-A1340 PolarHBondContact O-N 3.26Å; A1340-K1342 VanDerWaalsContact C-N 3.28Å; A1340-K1342 PolarHBondContact O-N 2.94Å; A1340-Q1343 PolarHBondContact O-N 3.28Å; A1340-Q1343 VanDerWaalsContact O-N 3.15Å; A1340-V1399 HydrophobicContact CB-CG1 4.27Å; A1340-Y1402 HydrophobicContact CB-CD1 4.24Å; A1340-Y1402 WeakPolarHBondContact O-CE1 3.32Å; A1340-L1415 HydrophobicContact CB-CD2 4.08Å |
| 1341 | V | 66.4 | Low | 71.1 | Confident | 37 Ų | 37 | 62 Ų | 62 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.4 | -31 | -177.6 | 172.9 | 0 | 0 | 0 | 0 | 113 | V1337 K1412 L1415 | V1337-V1341 WeakPolarHBondContact O-CG2 3.27Å; V1337-V1341 PolarHBondContact O-N 2.97Å; V1341-K1412 HydrophobicContact CG2-CG 4.42Å; V1341-L1415 HydrophobicContact CG2-CD2 4.16Å |
| 1342 | K | 63.4 | Low | 71 | Confident | 117 Ų | 117 | 60 Ų | 60 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 4.4 | 179.2 | -68.7 | 178.1 | 179.3 | 177.9 | 0 | 114.5 | S1338 A1340 Q1344 Y1459 | S1338-K1342 VanDerWaalsContact O-CB 3.27Å; S1338-K1342 WeakPolarHBondContact O-CB 3.36Å; S1338-K1342 VanDerWaalsContact O-CG 3.27Å; S1338-K1342 WeakPolarHBondContact O-CG 3.46Å; S1338-K1342 PolarHBondContact O-N 2.72Å; S1338-K1342 VanDerWaalsContact O-N 3.08Å; A1340-K1342 VanDerWaalsContact C-N 3.28Å; A1340-K1342 PolarHBondContact O-N 2.94Å; K1342-Q1344 HydrophobicContact CB-CG 4.11Å; K1342-Q1344 PolarHBondContact O-N 3.24Å; K1342-Q1344 VanDerWaalsContact O-N 3.16Å; K1342-Y1459 WeakPolarHBondContact CE-OH 3.5Å |
| 1343 | Q | 59 | Low | 70.9 | Confident | 136 Ų | 136 | 61.7 Ų | 61.7 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 42.8 | -178.4 | -63.7 | -177.8 | -15.3 | 0 | 0 | 113.1 | G1339 A1340 | G1339-Q1343 PolarHBondContact O-N 3.44Å; A1340-Q1343 PolarHBondContact O-N 3.28Å; A1340-Q1343 VanDerWaalsContact O-N 3.15Å |
| 1344 | Q | 55.4 | Low | 71.1 | Confident | 101 Ų | 101 | 61.7 Ų | 61.7 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | trans | -74.6 | 135.6 | -178.6 | -73.4 | -172 | -41.3 | 0 | 0 | 110.9 | G1339 K1342 L1346 | G1339-Q1344 PolarHBondContact O-N 2.92Å; K1342-Q1344 HydrophobicContact CB-CG 4.11Å; K1342-Q1344 PolarHBondContact O-N 3.24Å; K1342-Q1344 VanDerWaalsContact O-N 3.16Å; Q1344-L1346 PolarHBondContact O-N 3.43Å | ||
| 1345 | P | 55.7 | Low | 71.4 | Confident | 133 Ų | 133 | 59.8 Ų | 59.8 | 86% | 0.864 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 20.2 | 179.3 | 31.5 | -37.6 | 0 | 0 | 0 | 114.2 | ||
| 1346 | L | 57.5 | Low | 71.6 | Confident | 106 Ų | 106 | 60.1 Ų | 60.1 | 56% | 0.555 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | 26.5 | -173.6 | -74.5 | 159 | 0 | 0 | 0 | 111.5 | Q1344 E1348 | Q1344-L1346 PolarHBondContact O-N 3.43Å; L1346-E1348 VanDerWaalsContact C-N 3.28Å; L1346-E1348 PolarHBondContact O-N 3.26Å |
| 1347 | L | 66.8 | Low | 71.9 | Confident | 27 Ų | 27 | 60.6 Ų | 60.6 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.9 | -29.3 | 179.1 | -104.5 | 141.1 | 0 | 0 | 0 | 112.9 | L1336 V1350 F1351 V1399 | L1336-L1347 HydrophobicContact CD1-CD2 4.11Å; L1347-V1350 PolarHBondContact O-N 3.4Å; L1347-V1350 VanDerWaalsContact O-N 3.16Å; L1347-F1351 HydrophobicContact CB-CD2 4.41Å; L1347-F1351 HydrophobicContact CB-CE2 4.02Å; L1347-F1351 HydrophobicContact CD2-CD2 4.42Å; L1347-F1351 HydrophobicContact CD2-CE1 4.48Å; L1347-F1351 HydrophobicContact CD2-CE2 3.68Å; L1347-F1351 HydrophobicContact CD2-CZ 3.71Å; L1347-F1351 HydrophobicContact CG-CE2 4.48Å; L1347-F1351 WeakPolarHBondContact O-CD2 3.47Å; L1347-F1351 PolarHBondContact O-N 2.9Å; L1347-V1399 HydrophobicContact CD2-CG1 4.42Å |
| 1348 | E | 67.2 | Low | 72.4 | Confident | 144 Ų | 144 | 59.8 Ų | 59.8 | 67% | 0.673 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -55.5 | -53 | 179.2 | -168.1 | -176.5 | 175.4 | 0 | 0 | 112.2 | L1346 V1350 F1351 D1352 | L1346-E1348 VanDerWaalsContact C-N 3.28Å; L1346-E1348 PolarHBondContact O-N 3.26Å; E1348-V1350 PolarHBondContact O-N 3.49Å; E1348-F1351 PolarHBondContact O-N 3.03Å; E1348-D1352 PolarHBondContact O-N 3.4Å; E1348-D1352 VanDerWaalsContact O-N 3.1Å |
| 1349 | D | 70.3 | Confident | 73 | Confident | 102 Ų | 102 | 63.2 Ų | 63.2 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -54.2 | -37.9 | 177.1 | -75.5 | -31.8 | 0 | 0 | 0 | 112.3 | D1352 D1353 | D1349-D1352 PolarHBondContact O-N 2.83Å; D1349-D1353 WeakPolarHBondContact O-CB 3.39Å; D1349-D1353 PolarHBondContact O-N 2.89Å |
| 1350 | V | 76.5 | Confident | 73.6 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -77.8 | -36.3 | -175.5 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | R1335 L1336 L1347 E1348 D1352 F1354 | R1335-V1350 HydrophobicContact CB-CG1 4.29Å; L1336-V1350 HydrophobicContact CB-CG1 3.96Å; L1336-V1350 HydrophobicContact CD1-CG1 4.06Å; L1347-V1350 PolarHBondContact O-N 3.4Å; L1347-V1350 VanDerWaalsContact O-N 3.16Å; E1348-V1350 PolarHBondContact O-N 3.49Å; V1350-D1352 VanDerWaalsContact C-N 3.3Å; V1350-F1354 WeakPolarHBondContact O-CB 3.46Å; V1350-F1354 PolarHBondContact O-N 3.23Å |
| 1351 | F | 79.5 | Confident | 74.5 | Confident | 13 Ų | 13 | 68.5 Ų | 68.5 | 6% | 0.057 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 171 | -72.5 | -58.2 | 0 | 0 | 0 | 111.8 | V1289 A1292 L1336 L1347 E1348 F1354 T1355 L1396 V1399 | V1289-F1351 HydrophobicContact CB-CZ 4.41Å; V1289-F1351 HydrophobicContact CG1-CE1 4.27Å; V1289-F1351 HydrophobicContact CG1-CZ 4.17Å; V1289-F1351 HydrophobicContact CG2-CE2 4Å; V1289-F1351 HydrophobicContact CG2-CZ 3.72Å; A1292-F1351 HydrophobicContact CB-CB 4.23Å; A1292-F1351 HydrophobicContact CB-CD1 4.25Å; A1292-F1351 HydrophobicContact CB-CG 4.37Å; L1336-F1351 HydrophobicContact CD1-CD1 3.82Å; L1336-F1351 HydrophobicContact CD1-CE1 3.71Å; L1336-F1351 HydrophobicContact CD1-CZ 4.36Å; L1347-F1351 HydrophobicContact CB-CD2 4.41Å; L1347-F1351 HydrophobicContact CB-CE2 4.02Å; L1347-F1351 HydrophobicContact CD2-CD2 4.42Å; L1347-F1351 HydrophobicContact CD2-CE1 4.48Å; L1347-F1351 HydrophobicContact CD2-CE2 3.68Å; L1347-F1351 HydrophobicContact CD2-CZ 3.71Å; L1347-F1351 HydrophobicContact CG-CE2 4.48Å; L1347-F1351 WeakPolarHBondContact O-CD2 3.47Å; L1347-F1351 PolarHBondContact O-N 2.9Å; E1348-F1351 PolarHBondContact O-N 3.03Å; F1351-F1354 PolarHBondContact O-N 3.05Å; F1351-T1355 WeakPolarHBondContact O-CB 3.49Å; F1351-T1355 PolarHBondContact O-N 2.88Å; F1351-T1355 PolarHBondContact O-OG1 3.47Å; F1351-L1396 HydrophobicContact CD1-CD2 3.53Å; F1351-L1396 HydrophobicContact CE1-CD2 3.62Å; F1351-V1399 HydrophobicContact CE1-CB 4.46Å; F1351-V1399 HydrophobicContact CE1-CG1 3.93Å; F1351-V1399 HydrophobicContact CZ-CG1 3.64Å |
| 1352 | D | 78.3 | Confident | 75.3 | Confident | 85 Ų | 85 | 67 Ų | 67 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.8 | -40.8 | -178.3 | -151.8 | 34.1 | 0 | 0 | 0 | 111.1 | E1348 D1349 V1350 T1355 K1356 | E1348-D1352 PolarHBondContact O-N 3.4Å; E1348-D1352 VanDerWaalsContact O-N 3.1Å; D1349-D1352 PolarHBondContact O-N 2.83Å; V1350-D1352 VanDerWaalsContact C-N 3.3Å; D1352-T1355 PolarHBondContact O-N 2.92Å; D1352-K1356 VanDerWaalsContact CG-CE 3.44Å; D1352-K1356 VanDerWaalsContact CG-NZ 3.3Å; D1352-K1356 WeakPolarHBondContact O-CB 3.48Å; D1352-K1356 VanDerWaalsContact O-CD 3.25Å; D1352-K1356 WeakPolarHBondContact O-CD 3.31Å; D1352-K1356 WeakPolarHBondContact O-CG 3.48Å; D1352-K1356 PolarHBondContact O-N 3.34Å; D1352-K1356 WeakPolarHBondContact OD2-CE 3.32Å; D1352-K1356 IonicContact OD2-NZ 2.71Å; D1352-K1356 PolarHBondContact OD2-NZ 3.19Å |
| 1353 | D | 81.8 | Confident | 76.2 | Confident | 55 Ų | 55 | 64.1 Ų | 64.1 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.1 | -48.6 | 167.6 | -87.9 | -6.3 | 0 | 0 | 0 | 112.2 | I1332 R1335 D1349 K1356 C1357 | I1332-D1353 HydrophobicContact CD1-CB 4.4Å; I1332-D1353 HydrophobicContact CG2-CB 4.22Å; R1335-D1353 IonicContact CZ-OD2 3.74Å; R1335-D1353 IonicContact NH1-OD2 3.58Å; R1335-D1353 PolarHBondContact NH1-OD2 3.44Å; R1335-D1353 IonicContact NH2-OD2 2.69Å; D1349-D1353 WeakPolarHBondContact O-CB 3.39Å; D1349-D1353 PolarHBondContact O-N 2.89Å; D1353-K1356 PolarHBondContact O-N 2.89Å; D1353-C1357 WeakPolarHBondContact O-CB 3.49Å; D1353-C1357 PolarHBondContact O-N 3.15Å |
| 1354 | F | 86.2 | Confident | 77.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 179.9 | -178.9 | -97.8 | 0 | 0 | 0 | 111.4 | L1329 I1332 L1336 V1350 F1351 K1356 C1357 L1358 L1395 L1396 L1422 | L1329-F1354 HydrophobicContact CD1-CD2 3.8Å; L1329-F1354 HydrophobicContact CD1-CE2 3.7Å; L1329-F1354 HydrophobicContact CD1-CZ 4.43Å; I1332-F1354 HydrophobicContact CG2-CB 3.78Å; I1332-F1354 HydrophobicContact CG2-CD2 4.18Å; L1336-F1354 HydrophobicContact CD2-CD2 4.42Å; V1350-F1354 WeakPolarHBondContact O-CB 3.46Å; V1350-F1354 PolarHBondContact O-N 3.23Å; F1351-F1354 PolarHBondContact O-N 3.05Å; F1354-K1356 PolarHBondContact O-N 3.2Å; F1354-C1357 PolarHBondContact O-N 3.02Å; F1354-L1358 HydrophobicContact CE1-CD2 4.39Å; F1354-L1358 WeakPolarHBondContact O-CB 3.48Å; F1354-L1358 PolarHBondContact O-N 3.46Å; F1354-L1395 HydrophobicContact CE2-CD2 4.07Å; F1354-L1395 HydrophobicContact CZ-CD2 4.13Å; F1354-L1396 HydrophobicContact CD1-CD1 4.44Å; F1354-L1396 HydrophobicContact CD1-CD2 4.27Å; F1354-L1396 HydrophobicContact CE1-CD1 4.18Å; F1354-L1396 HydrophobicContact CE1-CD2 4.35Å; F1354-L1396 HydrophobicContact CE1-CG 4.17Å; F1354-L1422 HydrophobicContact CE2-CD2 3.8Å; F1354-L1422 HydrophobicContact CZ-CD2 3.81Å |
| 1355 | T | 84.2 | Confident | 78.6 | Confident | 10 Ų | 10 | 53 Ų | 53 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 179.7 | -57.5 | 0 | 0 | 0 | 0 | 112 | V1296 F1351 D1352 R1359 | V1296-T1355 HydrophobicContact CG2-CG2 4.44Å; F1351-T1355 WeakPolarHBondContact O-CB 3.49Å; F1351-T1355 PolarHBondContact O-N 2.88Å; F1351-T1355 PolarHBondContact O-OG1 3.47Å; D1352-T1355 PolarHBondContact O-N 2.92Å; T1355-R1359 VanDerWaalsContact O-CB 3.24Å; T1355-R1359 WeakPolarHBondContact O-CB 3.43Å; T1355-R1359 PolarHBondContact O-N 2.86Å; T1355-R1359 VanDerWaalsContact O-N 3.08Å |
| 1356 | K | 84.4 | Confident | 79.8 | Confident | 111 Ų | 111 | 47.1 Ų | 47.1 | 48% | 0.483 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.3 | -45.6 | 174.4 | -70.7 | 159.6 | -162.8 | 157.9 | 0 | 111.6 | D1352 D1353 F1354 R1360 | D1352-K1356 VanDerWaalsContact CG-CE 3.44Å; D1352-K1356 VanDerWaalsContact CG-NZ 3.3Å; D1352-K1356 WeakPolarHBondContact O-CB 3.48Å; D1352-K1356 VanDerWaalsContact O-CD 3.25Å; D1352-K1356 WeakPolarHBondContact O-CD 3.31Å; D1352-K1356 WeakPolarHBondContact O-CG 3.48Å; D1352-K1356 PolarHBondContact O-N 3.34Å; D1352-K1356 WeakPolarHBondContact OD2-CE 3.32Å; D1352-K1356 IonicContact OD2-NZ 2.71Å; D1352-K1356 PolarHBondContact OD2-NZ 3.19Å; D1353-K1356 PolarHBondContact O-N 2.89Å; F1354-K1356 PolarHBondContact O-N 3.2Å; K1356-R1360 WeakPolarHBondContact O-CB 3.42Å; K1356-R1360 PolarHBondContact O-N 2.93Å |
| 1357 | C | 87.7 | Confident | 80.8 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.3 | -43.1 | -178.5 | -164.5 | 0 | 0 | 0 | 0 | 112.1 | L1329 I1332 D1353 F1354 R1360 L1361 | L1329-C1357 HydrophobicContact CD1-CB 4.23Å; I1332-C1357 HydrophobicContact CD1-CB 3.68Å; D1353-C1357 WeakPolarHBondContact O-CB 3.49Å; D1353-C1357 PolarHBondContact O-N 3.15Å; F1354-C1357 PolarHBondContact O-N 3.02Å; C1357-R1360 WeakPolarHBondContact O-CB 3.26Å; C1357-R1360 PolarHBondContact O-N 3.48Å; C1357-L1361 PolarHBondContact O-N 3.36Å |
| 1358 | L | 86.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 176.5 | -177.1 | 64.1 | 0 | 0 | 0 | 112 | V1296 L1299 L1329 F1354 R1360 L1361 V1362 V1388 V1389 S1392 | V1296-L1358 HydrophobicContact CB-CD2 4.41Å; V1296-L1358 HydrophobicContact CG1-CD2 3.56Å; V1296-L1358 HydrophobicContact CG2-CD2 3.99Å; L1299-L1358 HydrophobicContact CD1-CB 4.49Å; L1299-L1358 HydrophobicContact CD1-CD2 4.03Å; L1299-L1358 HydrophobicContact CD1-CG 3.97Å; L1329-L1358 HydrophobicContact CD1-CB 4.38Å; L1329-L1358 HydrophobicContact CD2-CD1 4.02Å; F1354-L1358 HydrophobicContact CE1-CD2 4.39Å; F1354-L1358 WeakPolarHBondContact O-CB 3.48Å; F1354-L1358 PolarHBondContact O-N 3.46Å; L1358-R1360 VanDerWaalsContact C-N 3.28Å; L1358-R1360 PolarHBondContact O-N 2.88Å; L1358-L1361 WeakPolarHBondContact O-CB 3.44Å; L1358-L1361 PolarHBondContact O-N 2.84Å; L1358-V1362 WeakPolarHBondContact O-CG2 3.27Å; L1358-V1362 PolarHBondContact O-N 3.1Å; L1358-V1388 HydrophobicContact CD1-CG1 3.9Å; L1358-V1389 HydrophobicContact CD1-CG2 4.42Å; L1358-S1392 WeakPolarHBondContact CD2-OG 3.44Å |
| 1359 | R | 86.1 | Confident | 81.8 | Confident | 121 Ų | 121 | 35.5 Ų | 35.5 | 46% | 0.457 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.4 | -40.2 | 174.6 | -174.9 | -177.6 | -54.6 | -83.8 | -7.5 | 111.9 | L1299 T1355 S1363 | L1299-R1359 HydrophobicContact CD1-CB 4.3Å; L1299-R1359 HydrophobicContact CD2-CB 4.15Å; L1299-R1359 HydrophobicContact CD2-CG 3.94Å; T1355-R1359 VanDerWaalsContact O-CB 3.24Å; T1355-R1359 WeakPolarHBondContact O-CB 3.43Å; T1355-R1359 PolarHBondContact O-N 2.86Å; T1355-R1359 VanDerWaalsContact O-N 3.08Å; R1359-S1363 PolarHBondContact O-N 2.73Å; R1359-S1363 VanDerWaalsContact O-N 3.15Å |
| 1360 | R | 85.1 | Confident | 82 | Confident | 113 Ų | 113 | 35.3 Ų | 35.3 | 43% | 0.426 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.8 | -45.1 | 175 | -175.9 | 178.4 | 178.7 | 179.4 | -1.1 | 111.7 | D1321 C1325 K1356 C1357 L1358 S1363 I1364 | D1321-R1360 IonicContact OD1-NH2 3.92Å; C1325-R1360 PolarHBondContact SG-NE 2.87Å; K1356-R1360 WeakPolarHBondContact O-CB 3.42Å; K1356-R1360 PolarHBondContact O-N 2.93Å; C1357-R1360 WeakPolarHBondContact O-CB 3.26Å; C1357-R1360 PolarHBondContact O-N 3.48Å; L1358-R1360 VanDerWaalsContact C-N 3.28Å; L1358-R1360 PolarHBondContact O-N 2.88Å; R1360-S1363 WeakPolarHBondContact O-CB 3.35Å; R1360-S1363 PolarHBondContact O-N 2.91Å; R1360-I1364 HydrophobicContact CG-CD1 3.82Å; R1360-I1364 WeakPolarHBondContact O-CD1 3.15Å; R1360-I1364 VanDerWaalsContact O-CG1 3.28Å; R1360-I1364 WeakPolarHBondContact O-CG1 3.25Å; R1360-I1364 PolarHBondContact O-N 3.04Å; R1360-I1364 VanDerWaalsContact O-N 3.07Å |
| 1361 | L | 85.8 | Confident | 81.8 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.6 | -48.5 | 177.1 | -178.4 | 64.5 | 0 | 0 | 0 | 111.7 | C1325 L1329 C1357 L1358 S1363 I1364 V1365 V1388 L1429 | C1325-L1361 HydrophobicContact CB-CD1 4.19Å; L1329-L1361 HydrophobicContact CD2-CD2 3.61Å; C1357-L1361 PolarHBondContact O-N 3.36Å; L1358-L1361 WeakPolarHBondContact O-CB 3.44Å; L1358-L1361 PolarHBondContact O-N 2.84Å; L1361-S1363 VanDerWaalsContact C-N 3.33Å; L1361-S1363 PolarHBondContact O-N 3.24Å; L1361-I1364 PolarHBondContact O-N 3.28Å; L1361-V1365 HydrophobicContact CD1-CG2 4.47Å; L1361-V1365 WeakPolarHBondContact O-CG2 3.37Å; L1361-V1365 PolarHBondContact O-N 3.08Å; L1361-V1388 HydrophobicContact CD2-CG1 4.14Å; L1361-L1429 HydrophobicContact CD1-CD2 4.15Å; L1361-L1429 HydrophobicContact CD2-CD2 3.88Å; L1361-L1429 HydrophobicContact CG-CD2 4.05Å |
| 1362 | V | 84.3 | Confident | 81.5 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57 | -45.8 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 111 | I1303 L1358 I1364 V1365 M1366 T1385 V1389 | I1303-V1362 HydrophobicContact CD1-CG1 4.27Å; I1303-V1362 HydrophobicContact CD1-CG2 4.31Å; I1303-V1362 HydrophobicContact CG1-CG1 3.83Å; L1358-V1362 WeakPolarHBondContact O-CG2 3.27Å; L1358-V1362 PolarHBondContact O-N 3.1Å; V1362-I1364 PolarHBondContact O-N 3.26Å; V1362-V1365 PolarHBondContact O-N 2.91Å; V1362-M1366 HydrophobicContact CG1-CG 4.32Å; V1362-M1366 VanDerWaalsContact O-CG 3.24Å; V1362-M1366 WeakPolarHBondContact O-CG 3.35Å; V1362-M1366 PolarHBondContact O-N 3.24Å; V1362-T1385 HydrophobicContact CB-CG2 4.5Å; V1362-T1385 HydrophobicContact CG1-CG2 4.47Å; V1362-T1385 HydrophobicContact CG2-CG2 3.98Å; V1362-V1389 HydrophobicContact CG2-CG2 3.92Å |
| 1363 | S | 82.3 | Confident | 81 | Confident | 58 Ų | 58 | 44.1 Ų | 44.1 | 41% | 0.406 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.9 | -45.3 | 177.1 | -167.1 | 0 | 0 | 0 | 0 | 112.7 | R1359 R1360 L1361 M1366 E1367 | R1359-S1363 PolarHBondContact O-N 2.73Å; R1359-S1363 VanDerWaalsContact O-N 3.15Å; R1360-S1363 WeakPolarHBondContact O-CB 3.35Å; R1360-S1363 PolarHBondContact O-N 2.91Å; L1361-S1363 VanDerWaalsContact C-N 3.33Å; L1361-S1363 PolarHBondContact O-N 3.24Å; S1363-M1366 PolarHBondContact O-N 3.33Å; S1363-E1367 WeakPolarHBondContact O-CG 3.43Å; S1363-E1367 PolarHBondContact O-N 3.41Å |
| 1364 | I | 83 | Confident | 80.7 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.8 | -37.3 | -177.6 | -59.9 | 157.8 | 0 | 0 | 0 | 110.9 | V1318 D1321 I1322 C1325 R1360 L1361 V1362 E1367 L1368 | V1318-I1364 HydrophobicContact CG1-CG2 3.66Å; V1318-I1364 WeakPolarHBondContact CG1-O 3.42Å; V1318-I1364 WeakPolarHBondContact O-CG2 3.41Å; D1321-I1364 HydrophobicContact CB-CD1 4.1Å; D1321-I1364 HydrophobicContact CB-CG2 4.14Å; I1322-I1364 HydrophobicContact CD1-CG2 4.22Å; I1322-I1364 HydrophobicContact CG1-CB 4.31Å; I1322-I1364 HydrophobicContact CG1-CG2 3.46Å; I1322-I1364 VanDerWaalsContact CG1-CG2 3.46Å; C1325-I1364 HydrophobicContact CB-CD1 4.2Å; C1325-I1364 WeakPolarHBondContact SG-CD1 3.41Å; R1360-I1364 HydrophobicContact CG-CD1 3.82Å; R1360-I1364 WeakPolarHBondContact O-CD1 3.15Å; R1360-I1364 VanDerWaalsContact O-CG1 3.28Å; R1360-I1364 WeakPolarHBondContact O-CG1 3.25Å; R1360-I1364 PolarHBondContact O-N 3.04Å; R1360-I1364 VanDerWaalsContact O-N 3.07Å; L1361-I1364 PolarHBondContact O-N 3.28Å; V1362-I1364 PolarHBondContact O-N 3.26Å; I1364-E1367 WeakPolarHBondContact O-CB 3.36Å; I1364-E1367 PolarHBondContact O-N 3.21Å; I1364-L1368 PolarHBondContact O-N 3.27Å |
| 1365 | V | 81.6 | Confident | 80 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.5 | -36.6 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | I1322 L1361 V1362 E1367 L1368 A1369 M1381 T1385 L1429 | I1322-V1365 HydrophobicContact CD1-CG2 4.21Å; L1361-V1365 HydrophobicContact CD1-CG2 4.47Å; L1361-V1365 WeakPolarHBondContact O-CG2 3.37Å; L1361-V1365 PolarHBondContact O-N 3.08Å; V1362-V1365 PolarHBondContact O-N 2.91Å; V1365-E1367 VanDerWaalsContact C-N 3.28Å; V1365-E1367 PolarHBondContact O-N 3Å; V1365-L1368 PolarHBondContact O-N 2.82Å; V1365-L1368 VanDerWaalsContact O-N 3.15Å; V1365-A1369 WeakPolarHBondContact O-CB 3.41Å; V1365-A1369 PolarHBondContact O-N 3.48Å; V1365-M1381 HydrophobicContact CG1-CB 4.41Å; V1365-M1381 HydrophobicContact CG1-CE 4.11Å; V1365-T1385 VanDerWaalsContact CG1-OG1 3.25Å; V1365-T1385 WeakPolarHBondContact CG1-OG1 3.32Å; V1365-L1429 HydrophobicContact CG1-CD1 4.18Å; V1365-L1429 HydrophobicContact CG2-CD1 4.01Å; V1365-L1429 HydrophobicContact CG2-CD2 4.05Å; V1365-L1429 HydrophobicContact CG2-CG 4.28Å |
| 1366 | M | 80.1 | Confident | 79.4 | Confident | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -35.5 | 173.7 | -66.8 | -66.4 | -76.8 | 0 | 0 | 111.6 | S1302 K1307 I1308 V1362 S1363 Y1370 L1382 | S1302-M1366 WeakPolarHBondContact O-CE 3.4Å; K1307-M1366 VanDerWaalsContact C-CE 3.47Å; K1307-M1366 HydrophobicContact CB-CE 4.04Å; K1307-M1366 VanDerWaalsContact O-CE 3.31Å; K1307-M1366 WeakPolarHBondContact O-CE 3.44Å; I1308-M1366 HydrophobicContact CG1-CE 4.14Å; V1362-M1366 HydrophobicContact CG1-CG 4.32Å; V1362-M1366 VanDerWaalsContact O-CG 3.24Å; V1362-M1366 WeakPolarHBondContact O-CG 3.35Å; V1362-M1366 PolarHBondContact O-N 3.24Å; S1363-M1366 PolarHBondContact O-N 3.33Å; M1366-Y1370 PolarHBondContact O-N 2.8Å; M1366-L1382 HydrophobicContact CE-CD2 4.42Å; M1366-L1382 HydrophobicContact SD-CD2 3.49Å; M1366-L1382 WeakPolarHBondContact SD-CD2 3.32Å |
| 1367 | E | 79.8 | Confident | 78.8 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67 | -39.6 | 169.8 | -74.6 | -177.2 | -124.4 | 0 | 0 | 112.9 | S1311 R1313 V1318 S1363 I1364 V1365 Y1370 H1371 | S1311-E1367 WeakPolarHBondContact CB-OE2 3.4Å; S1311-E1367 PolarHBondContact OG-OE2 2.96Å; R1313-E1367 IonicContact CZ-OE1 3.96Å; R1313-E1367 IonicContact CZ-OE2 2.74Å; R1313-E1367 VanDerWaalsContact CZ-OE2 3.31Å; R1313-E1367 IonicContact NE-OE1 3.74Å; R1313-E1367 IonicContact NE-OE2 3.96Å; R1313-E1367 PolarHBondContact NE-OE2 3.1Å; R1313-E1367 IonicContact NH2-OE1 3.94Å; R1313-E1367 PolarHBondContact NH2-OE1 3.49Å; R1313-E1367 IonicContact NH2-OE2 3.9Å; R1313-E1367 PolarHBondContact NH2-OE2 3.35Å; V1318-E1367 HydrophobicContact CG1-CB 4.43Å; S1363-E1367 WeakPolarHBondContact O-CG 3.43Å; S1363-E1367 PolarHBondContact O-N 3.41Å; I1364-E1367 WeakPolarHBondContact O-CB 3.36Å; I1364-E1367 PolarHBondContact O-N 3.21Å; V1365-E1367 VanDerWaalsContact C-N 3.28Å; V1365-E1367 PolarHBondContact O-N 3Å; E1367-Y1370 WeakPolarHBondContact O-CB 3.33Å; E1367-Y1370 PolarHBondContact O-N 3.47Å; E1367-H1371 PolarHBondContact O-CD2 3.2Å; E1367-H1371 VanDerWaalsContact O-CD2 3.22Å |
| 1368 | L | 78.1 | Confident | 78.3 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.1 | -35.4 | 176.9 | -166.2 | 69.3 | 0 | 0 | 0 | 112.3 | V1318 Q1319 I1322 I1364 V1365 Y1370 H1371 Q1372 M1381 C1433 | V1318-L1368 HydrophobicContact CB-CD1 4.12Å; V1318-L1368 HydrophobicContact CG1-CB 3.68Å; V1318-L1368 HydrophobicContact CG1-CD1 3.82Å; V1318-L1368 HydrophobicContact CG1-CG 4.29Å; Q1319-L1368 HydrophobicContact CG-CD1 4.12Å; Q1319-L1368 HydrophobicContact CG-CD2 4.31Å; I1322-L1368 HydrophobicContact CD1-CB 4.35Å; I1322-L1368 HydrophobicContact CD1-CD2 3.6Å; I1364-L1368 PolarHBondContact O-N 3.27Å; V1365-L1368 PolarHBondContact O-N 2.82Å; V1365-L1368 VanDerWaalsContact O-N 3.15Å; L1368-Y1370 PolarHBondContact O-N 2.98Å; L1368-H1371 PolarHBondContact O-N 3.37Å; L1368-Q1372 PolarHBondContact O-N 3.45Å; L1368-Q1372 VanDerWaalsContact O-N 3.1Å; L1368-M1381 HydrophobicContact CB-CE 3.67Å; L1368-M1381 HydrophobicContact CD2-CE 3.65Å; L1368-M1381 HydrophobicContact CG-CE 3.66Å; L1368-C1433 HydrophobicContact CD2-CB 3.52Å; L1368-C1433 VanDerWaalsContact CD2-O 3.28Å; L1368-C1433 WeakPolarHBondContact CD2-O 3.35Å |
| 1369 | A | 76 | Confident | 77.9 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -26.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1308 V1365 R1378 M1381 | I1308-A1369 HydrophobicContact CD1-CB 4.44Å; V1365-A1369 WeakPolarHBondContact O-CB 3.41Å; V1365-A1369 PolarHBondContact O-N 3.48Å; A1369-R1378 HydrophobicContact CB-CG 4.15Å; A1369-R1378 PolarHBondContact O-NE 2.99Å; A1369-M1381 HydrophobicContact CB-CE 4.16Å |
| 1370 | Y | 75 | Confident | 77.5 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 38% | 0.384 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 170.4 | 177.4 | -109.4 | 0 | 0 | 0 | 112.7 | I1308 Q1310 M1366 E1367 L1368 | I1308-Y1370 HydrophobicContact CG2-CD2 4.38Å; Q1310-Y1370 HydrophobicContact CB-CE1 4.46Å; Q1310-Y1370 HydrophobicContact CB-CE2 4.44Å; Q1310-Y1370 HydrophobicContact CG-CD2 4.21Å; Q1310-Y1370 HydrophobicContact CG-CE1 4.48Å; Q1310-Y1370 HydrophobicContact CG-CE2 3.71Å; M1366-Y1370 PolarHBondContact O-N 2.8Å; E1367-Y1370 WeakPolarHBondContact O-CB 3.33Å; E1367-Y1370 PolarHBondContact O-N 3.47Å; L1368-Y1370 PolarHBondContact O-N 2.98Å |
| 1371 | H | 72.9 | Confident | 77.2 | Confident | 61 Ų | 61 | 50.6 Ų | 50.6 | 28% | 0.282 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -76.9 | -22.6 | 179.2 | -65.3 | -67.4 | 0 | 0 | 0 | 114 | R1313 E1367 L1368 Q1373 | R1313-H1371 PolarHBondContact O-CE1 3.06Å; R1313-H1371 PolarHBondContact O-NE2 3.13Å; R1313-H1371 VanDerWaalsContact O-NE2 3.15Å; E1367-H1371 PolarHBondContact O-CD2 3.2Å; E1367-H1371 VanDerWaalsContact O-CD2 3.22Å; L1368-H1371 PolarHBondContact O-N 3.37Å; H1371-Q1373 PolarHBondContact O-N 3.45Å |
| 1372 | Q | 71.4 | Confident | 77 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | trans | -70 | 119.1 | 178.4 | -176.7 | 53.5 | -86.7 | 0 | 0 | 110.9 | L1368 I1377 R1378 M1381 | L1368-Q1372 PolarHBondContact O-N 3.45Å; L1368-Q1372 VanDerWaalsContact O-N 3.1Å; Q1372-I1377 HydrophobicContact CG-CB 3.9Å; Q1372-I1377 HydrophobicContact CG-CG2 4.02Å; Q1372-I1377 VanDerWaalsContact NE2-CG2 3.33Å; Q1372-R1378 HydrophobicContact CG-CB 4.31Å; Q1372-R1378 PolarHBondContact O-NE 2.82Å; Q1372-R1378 PolarHBondContact O-NH2 2.99Å; Q1372-M1381 HydrophobicContact CB-SD 3.95Å; Q1372-M1381 HydrophobicContact CG-SD 4.09Å | ||
| 1373 | Q | 69.7 | Low | 76.9 | Confident | 181 Ų | 181 | 53.5 Ų | 53.5 | 85% | 0.846 | 27% | 0.272 | S | S | * | . | trans | -80.3 | -29 | -179.9 | -67.2 | -173.2 | 0 | 0 | 0 | 112.8 | H1371 P1375 | H1371-Q1373 PolarHBondContact O-N 3.45Å; Q1373-P1375 WeakPolarHBondContact O-CD 3.48Å | ||
| 1374 | D | 73.6 | Confident | 76.9 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | trans | -79.6 | 117.1 | -180 | -172.1 | -19.2 | 0 | 0 | 0 | 110.9 | A1376 I1377 R1378 | D1374-A1376 PolarHBondContact O-N 3.05Å; D1374-A1376 WeakPolarHBondContact OD1-CB 3.3Å; D1374-A1376 PolarHBondContact OD1-N 2.58Å; D1374-I1377 HydrophobicContact CB-CB 4.13Å; D1374-I1377 HydrophobicContact CB-CD1 3.89Å; D1374-I1377 HydrophobicContact CB-CG1 3.94Å; D1374-I1377 PolarHBondContact O-N 3.36Å; D1374-R1378 WeakPolarHBondContact O-CB 3.46Å; D1374-R1378 PolarHBondContact O-N 2.85Å | ||
| 1375 | P | 72.1 | Confident | 77 | Confident | 92 Ų | 92 | 51 Ų | 51 | 60% | 0.597 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.4 | -30.1 | 177.1 | 27.1 | -34.8 | 0 | 0 | 0 | 112.9 | Q1373 R1378 E1379 | Q1373-P1375 WeakPolarHBondContact O-CD 3.48Å; P1375-R1378 PolarHBondContact O-N 3.05Å; P1375-E1379 WeakPolarHBondContact O-CB 3.48Å; P1375-E1379 PolarHBondContact O-N 2.89Å |
| 1376 | A | 72 | Confident | 77.2 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 41% | 0.405 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.6 | -43.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1374 R1378 E1379 Q1380 | D1374-A1376 PolarHBondContact O-N 3.05Å; D1374-A1376 WeakPolarHBondContact OD1-CB 3.3Å; D1374-A1376 PolarHBondContact OD1-N 2.58Å; A1376-R1378 VanDerWaalsContact C-N 3.35Å; A1376-E1379 PolarHBondContact O-N 3.49Å; A1376-Q1380 VanDerWaalsContact O-CG 3.31Å; A1376-Q1380 WeakPolarHBondContact O-CG 3.34Å; A1376-Q1380 PolarHBondContact O-N 3.11Å |
| 1377 | I | 72.6 | Confident | 77.4 | Confident | 52 Ų | 52 | 57.3 Ų | 57.3 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.1 | -38 | 174.6 | -55.5 | 172.8 | 0 | 0 | 0 | 110.1 | Q1372 D1374 E1379 Q1380 M1381 V1432 | Q1372-I1377 HydrophobicContact CG-CB 3.9Å; Q1372-I1377 HydrophobicContact CG-CG2 4.02Å; Q1372-I1377 VanDerWaalsContact NE2-CG2 3.33Å; D1374-I1377 HydrophobicContact CB-CB 4.13Å; D1374-I1377 HydrophobicContact CB-CD1 3.89Å; D1374-I1377 HydrophobicContact CB-CG1 3.94Å; D1374-I1377 PolarHBondContact O-N 3.36Å; I1377-E1379 PolarHBondContact O-N 2.9Å; I1377-Q1380 CarbonylContact O-C 3.58Å; I1377-Q1380 WeakPolarHBondContact O-CB 3.49Å; I1377-Q1380 PolarHBondContact O-N 2.7Å; I1377-M1381 HydrophobicContact CG2-CG 4.36Å; I1377-M1381 HydrophobicContact CG2-SD 4.33Å; I1377-M1381 VanDerWaalsContact O-CG 3.26Å; I1377-M1381 WeakPolarHBondContact O-CG 3.33Å; I1377-M1381 PolarHBondContact O-N 2.9Å; I1377-V1432 HydrophobicContact CG2-CG1 4.32Å |
| 1378 | R | 76.8 | Confident | 77.7 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 28% | 0.275 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 174.7 | -172.2 | -172.1 | -69.6 | 162.3 | 3.1 | 112 | I1308 A1369 Q1372 D1374 P1375 A1376 M1381 L1382 | I1308-R1378 HydrophobicContact CD1-CG 4.31Å; A1369-R1378 HydrophobicContact CB-CG 4.15Å; A1369-R1378 PolarHBondContact O-NE 2.99Å; Q1372-R1378 HydrophobicContact CG-CB 4.31Å; Q1372-R1378 PolarHBondContact O-NE 2.82Å; Q1372-R1378 PolarHBondContact O-NH2 2.99Å; D1374-R1378 WeakPolarHBondContact O-CB 3.46Å; D1374-R1378 PolarHBondContact O-N 2.85Å; P1375-R1378 PolarHBondContact O-N 3.05Å; A1376-R1378 VanDerWaalsContact C-N 3.35Å; R1378-M1381 PolarHBondContact O-N 2.77Å; R1378-L1382 WeakPolarHBondContact O-CG 3.43Å; R1378-L1382 PolarHBondContact O-N 3.48Å; R1378-L1382 VanDerWaalsContact O-N 3.08Å |
| 1379 | E | 76.9 | Confident | 78.1 | Confident | 108 Ų | 108 | 55.9 Ų | 55.9 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 173.9 | -173.9 | 172.8 | -174.8 | 0 | 0 | 111.6 | P1375 A1376 I1377 M1381 L1382 N1383 | P1375-E1379 WeakPolarHBondContact O-CB 3.48Å; P1375-E1379 PolarHBondContact O-N 2.89Å; A1376-E1379 PolarHBondContact O-N 3.49Å; I1377-E1379 PolarHBondContact O-N 2.9Å; E1379-M1381 PolarHBondContact O-N 3.24Å; E1379-L1382 PolarHBondContact O-N 3.29Å; E1379-N1383 WeakPolarHBondContact O-CB 3.29Å; E1379-N1383 PolarHBondContact O-N 3.48Å; E1379-N1383 PolarHBondContact O-ND2 2.9Å |
| 1380 | Q | 77.6 | Confident | 78.4 | Confident | 112 Ų | 112 | 58.1 Ų | 58.1 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 172.7 | -73.1 | 175.6 | 3.8 | 0 | 0 | 112.8 | A1376 I1377 N1383 A1384 V1432 | A1376-Q1380 VanDerWaalsContact O-CG 3.31Å; A1376-Q1380 WeakPolarHBondContact O-CG 3.34Å; A1376-Q1380 PolarHBondContact O-N 3.11Å; I1377-Q1380 CarbonylContact O-C 3.58Å; I1377-Q1380 WeakPolarHBondContact O-CB 3.49Å; I1377-Q1380 PolarHBondContact O-N 2.7Å; Q1380-N1383 PolarHBondContact O-N 3.01Å; Q1380-A1384 VanDerWaalsContact O-CB 3.27Å; Q1380-A1384 WeakPolarHBondContact O-CB 3.22Å; Q1380-A1384 PolarHBondContact O-N 3.19Å; Q1380-V1432 HydrophobicContact CB-CG1 4.1Å |
| 1381 | M | 79.1 | Confident | 78.9 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 175.4 | -71.1 | 169.5 | 66.3 | 0 | 0 | 111.7 | V1365 L1368 A1369 Q1372 I1377 R1378 E1379 A1384 T1385 V1432 | V1365-M1381 HydrophobicContact CG1-CB 4.41Å; V1365-M1381 HydrophobicContact CG1-CE 4.11Å; L1368-M1381 HydrophobicContact CB-CE 3.67Å; L1368-M1381 HydrophobicContact CD2-CE 3.65Å; L1368-M1381 HydrophobicContact CG-CE 3.66Å; A1369-M1381 HydrophobicContact CB-CE 4.16Å; Q1372-M1381 HydrophobicContact CB-SD 3.95Å; Q1372-M1381 HydrophobicContact CG-SD 4.09Å; I1377-M1381 HydrophobicContact CG2-CG 4.36Å; I1377-M1381 HydrophobicContact CG2-SD 4.33Å; I1377-M1381 VanDerWaalsContact O-CG 3.26Å; I1377-M1381 WeakPolarHBondContact O-CG 3.33Å; I1377-M1381 PolarHBondContact O-N 2.9Å; R1378-M1381 PolarHBondContact O-N 2.77Å; E1379-M1381 PolarHBondContact O-N 3.24Å; M1381-A1384 PolarHBondContact O-N 2.96Å; M1381-T1385 PolarHBondContact O-N 3.18Å; M1381-T1385 PolarHBondContact O-OG1 3.15Å; M1381-V1432 HydrophobicContact CB-CG1 4.41Å; M1381-V1432 HydrophobicContact CG-CG1 3.59Å |
| 1382 | L | 82.8 | Confident | 79.6 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 177.4 | -68.9 | 171.4 | 0 | 0 | 0 | 111.3 | I1303 I1305 M1366 R1378 E1379 T1385 R1386 | I1303-L1382 HydrophobicContact CG2-CB 4.3Å; I1303-L1382 HydrophobicContact CG2-CD2 3.84Å; I1305-L1382 HydrophobicContact CB-CD1 4.38Å; I1305-L1382 HydrophobicContact CG1-CD1 3.46Å; I1305-L1382 VanDerWaalsContact CG1-CD1 3.46Å; M1366-L1382 HydrophobicContact CE-CD2 4.42Å; M1366-L1382 HydrophobicContact SD-CD2 3.49Å; M1366-L1382 WeakPolarHBondContact SD-CD2 3.32Å; R1378-L1382 WeakPolarHBondContact O-CG 3.43Å; R1378-L1382 PolarHBondContact O-N 3.48Å; R1378-L1382 VanDerWaalsContact O-N 3.08Å; E1379-L1382 PolarHBondContact O-N 3.29Å; L1382-T1385 PolarHBondContact O-N 3.44Å; L1382-R1386 WeakPolarHBondContact O-CG 3.47Å; L1382-R1386 PolarHBondContact O-N 3.12Å |
| 1383 | N | 81.1 | Confident | 80.2 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 35% | 0.348 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 176 | -73 | -24.1 | 0 | 0 | 0 | 112 | E1379 Q1380 T1385 R1386 V1387 | E1379-N1383 WeakPolarHBondContact O-CB 3.29Å; E1379-N1383 PolarHBondContact O-N 3.48Å; E1379-N1383 PolarHBondContact O-ND2 2.9Å; Q1380-N1383 PolarHBondContact O-N 3.01Å; N1383-T1385 VanDerWaalsContact C-N 3.29Å; N1383-T1385 PolarHBondContact O-N 3.22Å; N1383-R1386 PolarHBondContact O-N 3.48Å; N1383-R1386 PolarHBondContact OD1-NH1 3.44Å; N1383-V1387 VanDerWaalsContact O-CG2 3.26Å; N1383-V1387 WeakPolarHBondContact O-CG2 3.48Å; N1383-V1387 PolarHBondContact O-N 3.31Å |
| 1384 | A | 83.3 | Confident | 80.7 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -37.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | Q1380 M1381 V1387 V1388 L1429 | Q1380-A1384 VanDerWaalsContact O-CB 3.27Å; Q1380-A1384 WeakPolarHBondContact O-CB 3.22Å; Q1380-A1384 PolarHBondContact O-N 3.19Å; M1381-A1384 PolarHBondContact O-N 2.96Å; A1384-V1387 PolarHBondContact O-N 3.3Å; A1384-V1388 WeakPolarHBondContact O-CG2 3.37Å; A1384-V1388 PolarHBondContact O-N 3.1Å; A1384-L1429 HydrophobicContact CB-CB 4.42Å; A1384-L1429 HydrophobicContact CB-CD1 3.87Å |
| 1385 | T | 85.4 | Confident | 81.2 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68 | -42.2 | 176.8 | -48.5 | 0 | 0 | 0 | 0 | 111.7 | I1303 V1362 V1365 M1381 L1382 N1383 V1387 V1388 V1389 | I1303-T1385 HydrophobicContact CD1-CG2 3.69Å; I1303-T1385 HydrophobicContact CG1-CG2 4.16Å; I1303-T1385 HydrophobicContact CG2-CG2 4.49Å; V1362-T1385 HydrophobicContact CB-CG2 4.5Å; V1362-T1385 HydrophobicContact CG1-CG2 4.47Å; V1362-T1385 HydrophobicContact CG2-CG2 3.98Å; V1365-T1385 VanDerWaalsContact CG1-OG1 3.25Å; V1365-T1385 WeakPolarHBondContact CG1-OG1 3.32Å; M1381-T1385 PolarHBondContact O-N 3.18Å; M1381-T1385 PolarHBondContact O-OG1 3.15Å; L1382-T1385 PolarHBondContact O-N 3.44Å; N1383-T1385 VanDerWaalsContact C-N 3.29Å; N1383-T1385 PolarHBondContact O-N 3.22Å; T1385-V1387 VanDerWaalsContact C-N 3.31Å; T1385-V1387 PolarHBondContact O-N 3.06Å; T1385-V1388 PolarHBondContact O-N 3.35Å; T1385-V1389 PolarHBondContact O-N 2.94Å |
| 1386 | R | 84.1 | Confident | 81.8 | Confident | 93 Ų | 93 | 39.6 Ų | 39.6 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.6 | -43.4 | 172.4 | -72.7 | 172.2 | 179.9 | 170.7 | -8.2 | 111.3 | I1303 L1382 N1383 V1388 V1389 D1390 | I1303-R1386 HydrophobicContact CB-CG 4.12Å; I1303-R1386 HydrophobicContact CD1-CG 4.4Å; I1303-R1386 HydrophobicContact CG2-CG 3.76Å; I1303-R1386 PolarHBondContact O-NE 3.5Å; I1303-R1386 VanDerWaalsContact O-NE 3.08Å; I1303-R1386 PolarHBondContact O-NH2 3.42Å; L1382-R1386 WeakPolarHBondContact O-CG 3.47Å; L1382-R1386 PolarHBondContact O-N 3.12Å; N1383-R1386 PolarHBondContact O-N 3.48Å; N1383-R1386 PolarHBondContact OD1-NH1 3.44Å; R1386-V1388 VanDerWaalsContact C-N 3.34Å; R1386-V1388 PolarHBondContact O-N 3.17Å; R1386-V1389 PolarHBondContact O-N 2.89Å; R1386-D1390 WeakPolarHBondContact O-CB 3.45Å; R1386-D1390 PolarHBondContact O-N 3.37Å |
| 1387 | V | 84.5 | Confident | 82.2 | Confident | 49 Ų | 49 | 39.5 Ų | 39.5 | 30% | 0.297 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 176.5 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | N1383 A1384 T1385 D1390 H1391 | N1383-V1387 VanDerWaalsContact O-CG2 3.26Å; N1383-V1387 WeakPolarHBondContact O-CG2 3.48Å; N1383-V1387 PolarHBondContact O-N 3.31Å; A1384-V1387 PolarHBondContact O-N 3.3Å; T1385-V1387 VanDerWaalsContact C-N 3.31Å; T1385-V1387 PolarHBondContact O-N 3.06Å; V1387-D1390 PolarHBondContact O-N 3.22Å; V1387-H1391 WeakPolarHBondContact CG1-ND1 3.47Å; V1387-H1391 PolarHBondContact O-N 3.03Å; V1387-H1391 PolarHBondContact O-ND1 3Å |
| 1388 | V | 86 | Confident | 82.3 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.1 | -41 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | L1329 L1358 L1361 A1384 T1385 R1386 S1392 L1422 S1425 I1426 L1429 | L1329-V1388 HydrophobicContact CD2-CG1 4.5Å; L1358-V1388 HydrophobicContact CD1-CG1 3.9Å; L1361-V1388 HydrophobicContact CD2-CG1 4.14Å; A1384-V1388 WeakPolarHBondContact O-CG2 3.37Å; A1384-V1388 PolarHBondContact O-N 3.1Å; T1385-V1388 PolarHBondContact O-N 3.35Å; R1386-V1388 VanDerWaalsContact C-N 3.34Å; R1386-V1388 PolarHBondContact O-N 3.17Å; V1388-S1392 WeakPolarHBondContact O-CB 3.49Å; V1388-S1392 PolarHBondContact O-N 3.06Å; V1388-S1392 PolarHBondContact O-OG 3.02Å; V1388-L1422 HydrophobicContact CG1-CD1 4.04Å; V1388-S1425 VanDerWaalsContact CG2-O 3.28Å; V1388-S1425 WeakPolarHBondContact CG2-O 3.27Å; V1388-I1426 HydrophobicContact CG1-CG1 4.11Å; V1388-I1426 HydrophobicContact CG2-CG1 4.35Å; V1388-L1429 HydrophobicContact CG2-CB 4.04Å; V1388-L1429 HydrophobicContact CG2-CD2 3.95Å |
| 1389 | V | 87.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.2 | -42.4 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | V1296 L1299 M1300 I1303 L1358 V1362 T1385 R1386 S1392 I1393 | V1296-V1389 HydrophobicContact CG1-CG1 4.05Å; L1299-V1389 HydrophobicContact CB-CG2 4.49Å; M1300-V1389 HydrophobicContact CB-CG1 4.23Å; M1300-V1389 HydrophobicContact SD-CB 4.47Å; M1300-V1389 HydrophobicContact SD-CG1 4.11Å; I1303-V1389 HydrophobicContact CD1-CB 4.32Å; I1303-V1389 HydrophobicContact CD1-CG2 3.66Å; L1358-V1389 HydrophobicContact CD1-CG2 4.42Å; V1362-V1389 HydrophobicContact CG2-CG2 3.92Å; T1385-V1389 PolarHBondContact O-N 2.94Å; R1386-V1389 PolarHBondContact O-N 2.89Å; V1389-S1392 WeakPolarHBondContact O-CB 3.11Å; V1389-S1392 PolarHBondContact O-N 3.31Å; V1389-S1392 VanDerWaalsContact O-N 3.15Å; V1389-I1393 HydrophobicContact CG1-CD1 4.16Å; V1389-I1393 WeakPolarHBondContact O-CG1 3.25Å; V1389-I1393 PolarHBondContact O-N 3.4Å |
| 1390 | D | 82.8 | Confident | 82.2 | Confident | 48 Ų | 48 | 31 Ų | 31 | 26% | 0.257 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.2 | -48 | 176.1 | -172.8 | 64.2 | 0 | 0 | 0 | 111.9 | M1300 R1386 V1387 S1392 I1393 R1394 | M1300-D1390 HydrophobicContact CE-CB 4.5Å; R1386-D1390 WeakPolarHBondContact O-CB 3.45Å; R1386-D1390 PolarHBondContact O-N 3.37Å; V1387-D1390 PolarHBondContact O-N 3.22Å; D1390-S1392 PolarHBondContact O-N 2.9Å; D1390-I1393 WeakPolarHBondContact O-CB 3.37Å; D1390-I1393 PolarHBondContact O-N 3.1Å; D1390-I1393 VanDerWaalsContact O-N 3.08Å; D1390-R1394 WeakPolarHBondContact O-CG 3.49Å; D1390-R1394 PolarHBondContact O-N 3.35Å; D1390-R1394 IonicContact OD2-CZ 3.28Å; D1390-R1394 IonicContact OD2-NE 3.93Å; D1390-R1394 PolarHBondContact OD2-NE 2.92Å; D1390-R1394 IonicContact OD2-NH2 2.98Å; D1390-R1394 PolarHBondContact OD2-NH2 3.32Å |
| 1391 | H | 85.4 | Confident | 81.7 | Confident | 37 Ų | 37 | 28.9 Ų | 28.9 | 17% | 0.171 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.2 | -29.9 | 174.6 | -74 | 92.3 | 0 | 0 | 0 | 112.9 | V1387 R1394 L1395 S1421 L1422 | V1387-H1391 WeakPolarHBondContact CG1-ND1 3.47Å; V1387-H1391 PolarHBondContact O-N 3.03Å; V1387-H1391 PolarHBondContact O-ND1 3Å; H1391-R1394 PolarHBondContact O-N 3.2Å; H1391-L1395 WeakPolarHBondContact O-CB 3.42Å; H1391-L1395 PolarHBondContact O-N 3.38Å; H1391-S1421 WeakPolarHBondContact CD2-CB 3.25Å; H1391-L1422 HydrophobicContact CB-CB 4.2Å; H1391-L1422 HydrophobicContact CB-CD1 4Å |
| 1392 | S | 87.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.1 | -39.2 | 172.6 | -59.2 | 0 | 0 | 0 | 0 | 112 | L1358 V1388 V1389 D1390 L1395 L1396 L1422 | L1358-S1392 WeakPolarHBondContact CD2-OG 3.44Å; V1388-S1392 WeakPolarHBondContact O-CB 3.49Å; V1388-S1392 PolarHBondContact O-N 3.06Å; V1388-S1392 PolarHBondContact O-OG 3.02Å; V1389-S1392 WeakPolarHBondContact O-CB 3.11Å; V1389-S1392 PolarHBondContact O-N 3.31Å; V1389-S1392 VanDerWaalsContact O-N 3.15Å; D1390-S1392 PolarHBondContact O-N 2.9Å; S1392-L1395 PolarHBondContact O-N 3.18Å; S1392-L1396 WeakPolarHBondContact O-CG 3.36Å; S1392-L1396 PolarHBondContact O-N 3Å; S1392-L1422 WeakPolarHBondContact OG-CD1 3.28Å |
| 1393 | I | 84.9 | Confident | 80.5 | Confident | 30 Ų | 30 | 32 Ų | 32 | 15% | 0.154 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.9 | -43.3 | 173.3 | -65 | 165.9 | 0 | 0 | 0 | 110.3 | I1293 V1296 A1297 M1300 V1389 D1390 L1395 L1396 S1397 | I1293-I1393 HydrophobicContact CG2-CG2 4.41Å; V1296-I1393 HydrophobicContact CB-CG1 4.42Å; V1296-I1393 HydrophobicContact CG1-CD1 4.45Å; V1296-I1393 HydrophobicContact CG1-CG1 3.71Å; A1297-I1393 HydrophobicContact CB-CD1 4.3Å; M1300-I1393 HydrophobicContact CE-CD1 3.94Å; V1389-I1393 HydrophobicContact CG1-CD1 4.16Å; V1389-I1393 WeakPolarHBondContact O-CG1 3.25Å; V1389-I1393 PolarHBondContact O-N 3.4Å; D1390-I1393 WeakPolarHBondContact O-CB 3.37Å; D1390-I1393 PolarHBondContact O-N 3.1Å; D1390-I1393 VanDerWaalsContact O-N 3.08Å; I1393-L1395 PolarHBondContact O-N 3.5Å; I1393-L1396 PolarHBondContact O-N 3.36Å; I1393-S1397 VanDerWaalsContact O-CB 3.32Å; I1393-S1397 WeakPolarHBondContact O-CB 3.41Å; I1393-S1397 PolarHBondContact O-N 2.86Å; I1393-S1397 PolarHBondContact O-OG 2.9Å |
| 1394 | R | 79.8 | Confident | 79.5 | Confident | 100 Ų | 100 | 30.1 Ų | 30.1 | 38% | 0.377 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 174.6 | -66.2 | -179 | -162.4 | -144.9 | 5.2 | 111.4 | D1390 H1391 S1397 S1398 Q1568 | D1390-R1394 WeakPolarHBondContact O-CG 3.49Å; D1390-R1394 PolarHBondContact O-N 3.35Å; D1390-R1394 IonicContact OD2-CZ 3.28Å; D1390-R1394 IonicContact OD2-NE 3.93Å; D1390-R1394 PolarHBondContact OD2-NE 2.92Å; D1390-R1394 IonicContact OD2-NH2 2.98Å; D1390-R1394 PolarHBondContact OD2-NH2 3.32Å; H1391-R1394 PolarHBondContact O-N 3.2Å; R1394-S1397 CarbonylContact O-C 3.59Å; R1394-S1397 WeakPolarHBondContact O-CB 3.26Å; R1394-S1397 PolarHBondContact O-N 3.16Å; R1394-S1398 PolarHBondContact O-N 3.1Å; R1394-S1398 PolarHBondContact O-OG 3.3Å; R1394-S1398 VanDerWaalsContact O-OG 3.05Å; R1394-Q1568 VanDerWaalsContact NH1-NE2 3.19Å |
| 1395 | L | 84.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.2 | -50.5 | 176.2 | 178.5 | 65.1 | 0 | 0 | 0 | 112 | T1333 L1336 V1337 F1354 H1391 S1392 I1393 S1397 S1398 V1399 L1415 A1418 A1419 L1422 | T1333-L1395 HydrophobicContact CG2-CD2 3.84Å; L1336-L1395 HydrophobicContact CD2-CD2 4.05Å; L1336-L1395 HydrophobicContact CD2-CG 4.31Å; V1337-L1395 HydrophobicContact CG2-CD1 4.47Å; F1354-L1395 HydrophobicContact CE2-CD2 4.07Å; F1354-L1395 HydrophobicContact CZ-CD2 4.13Å; H1391-L1395 WeakPolarHBondContact O-CB 3.42Å; H1391-L1395 PolarHBondContact O-N 3.38Å; S1392-L1395 PolarHBondContact O-N 3.18Å; I1393-L1395 PolarHBondContact O-N 3.5Å; L1395-S1397 VanDerWaalsContact C-N 3.25Å; L1395-S1397 PolarHBondContact O-N 3.44Å; L1395-S1398 WeakPolarHBondContact O-CB 3.45Å; L1395-S1398 PolarHBondContact O-N 3.18Å; L1395-S1398 VanDerWaalsContact O-N 3.1Å; L1395-V1399 WeakPolarHBondContact O-CG2 3.01Å; L1395-V1399 PolarHBondContact O-N 2.91Å; L1395-L1415 HydrophobicContact CD1-CD1 3.79Å; L1395-A1418 HydrophobicContact CB-CB 4.29Å; L1395-A1418 HydrophobicContact CD1-CB 4.07Å; L1395-A1419 HydrophobicContact CD1-CB 4.12Å; L1395-L1422 HydrophobicContact CD2-CD2 3.55Å |
| 1396 | L | 84.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -35.4 | 177.1 | -68.9 | 174.2 | 0 | 0 | 0 | 111.9 | V1289 A1292 I1293 V1296 L1336 F1351 F1354 S1392 I1393 V1399 K1400 | V1289-L1396 WeakPolarHBondContact CG1-O 3.42Å; A1292-L1396 HydrophobicContact CB-CD1 4.19Å; A1292-L1396 HydrophobicContact CB-CD2 4.44Å; I1293-L1396 HydrophobicContact CD1-CB 4.3Å; I1293-L1396 HydrophobicContact CG1-CB 3.61Å; I1293-L1396 HydrophobicContact CG1-CD1 4.3Å; V1296-L1396 HydrophobicContact CB-CD1 4.24Å; V1296-L1396 HydrophobicContact CG2-CD1 3.75Å; L1336-L1396 HydrophobicContact CD2-CD2 4.15Å; F1351-L1396 HydrophobicContact CD1-CD2 3.53Å; F1351-L1396 HydrophobicContact CE1-CD2 3.62Å; F1354-L1396 HydrophobicContact CD1-CD1 4.44Å; F1354-L1396 HydrophobicContact CD1-CD2 4.27Å; F1354-L1396 HydrophobicContact CE1-CD1 4.18Å; F1354-L1396 HydrophobicContact CE1-CD2 4.35Å; F1354-L1396 HydrophobicContact CE1-CG 4.17Å; S1392-L1396 WeakPolarHBondContact O-CG 3.36Å; S1392-L1396 PolarHBondContact O-N 3Å; I1393-L1396 PolarHBondContact O-N 3.36Å; L1396-V1399 PolarHBondContact O-N 3.29Å; L1396-K1400 PolarHBondContact O-N 2.81Å |
| 1397 | S | 79.5 | Confident | 76.1 | Confident | 46 Ų | 46 | 36.1 Ų | 36.1 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.5 | -36.8 | 173.8 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | I1393 R1394 L1395 K1400 T1401 | I1393-S1397 VanDerWaalsContact O-CB 3.32Å; I1393-S1397 WeakPolarHBondContact O-CB 3.41Å; I1393-S1397 PolarHBondContact O-N 2.86Å; I1393-S1397 PolarHBondContact O-OG 2.9Å; R1394-S1397 CarbonylContact O-C 3.59Å; R1394-S1397 WeakPolarHBondContact O-CB 3.26Å; R1394-S1397 PolarHBondContact O-N 3.16Å; L1395-S1397 VanDerWaalsContact C-N 3.25Å; L1395-S1397 PolarHBondContact O-N 3.44Å; S1397-K1400 WeakPolarHBondContact O-CB 3.11Å; S1397-K1400 PolarHBondContact O-N 3.29Å; S1397-T1401 PolarHBondContact O-N 2.98Å; S1397-T1401 PolarHBondContact O-OG1 3.13Å |
| 1398 | S | 75.2 | Confident | 74.8 | Confident | 17 Ų | 17 | 35.3 Ų | 35.3 | 12% | 0.119 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.9 | -32.1 | 172 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | R1394 L1395 T1401 Y1402 | R1394-S1398 PolarHBondContact O-N 3.1Å; R1394-S1398 PolarHBondContact O-OG 3.3Å; R1394-S1398 VanDerWaalsContact O-OG 3.05Å; L1395-S1398 WeakPolarHBondContact O-CB 3.45Å; L1395-S1398 PolarHBondContact O-N 3.18Å; L1395-S1398 VanDerWaalsContact O-N 3.1Å; S1398-T1401 WeakPolarHBondContact CA-OG1 3.47Å; S1398-T1401 PolarHBondContact O-OG1 2.76Å; S1398-T1401 VanDerWaalsContact O-OG1 3.06Å; S1398-Y1402 WeakPolarHBondContact O-CB 3.47Å; S1398-Y1402 PolarHBondContact O-N 3.19Å |
| 1399 | V | 76.9 | Confident | 73.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.1 | -39.8 | 168.7 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | L1336 A1340 L1347 F1351 L1395 L1396 T1401 Y1402 N1403 L1415 | L1336-V1399 HydrophobicContact CD2-CG2 4.26Å; L1336-V1399 HydrophobicContact CG-CG2 4.17Å; A1340-V1399 HydrophobicContact CB-CG1 4.27Å; L1347-V1399 HydrophobicContact CD2-CG1 4.42Å; F1351-V1399 HydrophobicContact CE1-CB 4.46Å; F1351-V1399 HydrophobicContact CE1-CG1 3.93Å; F1351-V1399 HydrophobicContact CZ-CG1 3.64Å; L1395-V1399 WeakPolarHBondContact O-CG2 3.01Å; L1395-V1399 PolarHBondContact O-N 2.91Å; L1396-V1399 PolarHBondContact O-N 3.29Å; V1399-T1401 PolarHBondContact O-N 2.85Å; V1399-Y1402 PolarHBondContact O-N 2.82Å; V1399-N1403 WeakPolarHBondContact O-CB 3.31Å; V1399-N1403 PolarHBondContact O-N 3.44Å; V1399-L1415 HydrophobicContact CG2-CD1 3.48Å; V1399-L1415 VanDerWaalsContact CG2-CD1 3.48Å |
| 1400 | K | 74 | Confident | 72 | Confident | 38 Ų | 38 | 37.5 Ų | 37.5 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58 | -47.3 | 175.2 | -165.1 | -180 | 178.1 | 179.2 | 0 | 111.5 | N1281 Q1286 V1289 D1290 I1293 L1396 S1397 A1404 | N1281-K1400 PolarHBondContact OD1-NZ 2.69Å; Q1286-K1400 PolarHBondContact NE2-O 3.02Å; V1289-K1400 HydrophobicContact CB-CB 4.43Å; V1289-K1400 HydrophobicContact CB-CG 4.4Å; V1289-K1400 HydrophobicContact CG1-CB 3.79Å; V1289-K1400 HydrophobicContact CG1-CG 4.26Å; D1290-K1400 WeakPolarHBondContact OD1-CE 3.5Å; D1290-K1400 IonicContact OD1-NZ 2.69Å; D1290-K1400 PolarHBondContact OD1-NZ 3.18Å; D1290-K1400 IonicContact OD2-NZ 3.92Å; D1290-K1400 PolarHBondContact OD2-NZ 3.24Å; I1293-K1400 HydrophobicContact CD1-CD 4.26Å; L1396-K1400 PolarHBondContact O-N 2.81Å; S1397-K1400 WeakPolarHBondContact O-CB 3.11Å; S1397-K1400 PolarHBondContact O-N 3.29Å; K1400-A1404 VanDerWaalsContact O-CB 3.31Å; K1400-A1404 WeakPolarHBondContact O-CB 3.44Å; K1400-A1404 PolarHBondContact O-N 3.48Å |
| 1401 | T | 67.3 | Low | 71 | Confident | 67 Ų | 67 | 35.4 Ų | 35.4 | 41% | 0.411 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.9 | -37.7 | 178.5 | 56.4 | 0 | 0 | 0 | 0 | 113 | S1397 S1398 V1399 A1404 N1405 | S1397-T1401 PolarHBondContact O-N 2.98Å; S1397-T1401 PolarHBondContact O-OG1 3.13Å; S1398-T1401 WeakPolarHBondContact CA-OG1 3.47Å; S1398-T1401 PolarHBondContact O-OG1 2.76Å; S1398-T1401 VanDerWaalsContact O-OG1 3.06Å; V1399-T1401 PolarHBondContact O-N 2.85Å; T1401-A1404 PolarHBondContact O-N 3.05Å; T1401-N1405 PolarHBondContact O-N 3.15Å; T1401-N1405 VanDerWaalsContact O-N 3.15Å |
| 1402 | Y | 69.8 | Low | 70.1 | Confident | 20 Ų | 20 | 35.4 Ų | 35.4 | 8% | 0.078 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.6 | -46.5 | 174.5 | -173.6 | -93.2 | 0 | 0 | 0 | 112.1 | A1340 S1398 V1399 A1404 N1405 P1406 A1411 K1412 L1415 | A1340-Y1402 HydrophobicContact CB-CD1 4.24Å; A1340-Y1402 WeakPolarHBondContact O-CE1 3.32Å; S1398-Y1402 WeakPolarHBondContact O-CB 3.47Å; S1398-Y1402 PolarHBondContact O-N 3.19Å; V1399-Y1402 PolarHBondContact O-N 2.82Å; Y1402-A1404 VanDerWaalsContact C-N 3.26Å; Y1402-A1404 PolarHBondContact O-N 2.72Å; Y1402-N1405 CarbonylContact O-C 3.39Å; Y1402-N1405 PolarHBondContact O-N 2.87Å; Y1402-P1406 WeakPolarHBondContact O-CA 3.44Å; Y1402-P1406 WeakPolarHBondContact O-CD 3.09Å; Y1402-A1411 HydrophobicContact CD2-CB 3.75Å; Y1402-A1411 HydrophobicContact CG-CB 4.46Å; Y1402-K1412 HydrophobicContact CE2-CB 4.1Å; Y1402-L1415 HydrophobicContact CG-CD2 4.44Å |
| 1403 | N | 67.3 | Low | 69.1 | Low | 50 Ų | 50 | 38 Ų | 38 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.1 | -26.7 | 176.6 | -72.4 | 0.4 | 0 | 0 | 0 | 112.5 | V1399 | V1399-N1403 WeakPolarHBondContact O-CB 3.31Å; V1399-N1403 PolarHBondContact O-N 3.44Å |
| 1404 | A | 61.1 | Low | 68.2 | Low | 26 Ų | 26 | 38.9 Ų | 38.9 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.5 | -29.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1173 K1400 T1401 Y1402 | T1173-A1404 HydrophobicContact CG2-CB 4.35Å; K1400-A1404 VanDerWaalsContact O-CB 3.31Å; K1400-A1404 WeakPolarHBondContact O-CB 3.44Å; K1400-A1404 PolarHBondContact O-N 3.48Å; T1401-A1404 PolarHBondContact O-N 3.05Å; Y1402-A1404 VanDerWaalsContact C-N 3.26Å; Y1402-A1404 PolarHBondContact O-N 2.72Å |
| 1405 | N | 61.7 | Low | 67.9 | Low | 53 Ų | 53 | 34.1 Ų | 34.1 | 28% | 0.283 | 19% | 0.194 | S | C | . | . | trans | -152.6 | 90.3 | 172.8 | -173.8 | -1.8 | 0 | 0 | 0 | 111.6 | T1401 Y1402 N1407 A1408 | T1401-N1405 PolarHBondContact O-N 3.15Å; T1401-N1405 VanDerWaalsContact O-N 3.15Å; Y1402-N1405 CarbonylContact O-C 3.39Å; Y1402-N1405 PolarHBondContact O-N 2.87Å; N1405-N1407 PolarHBondContact O-N 2.95Å; N1405-N1407 VanDerWaalsContact O-N 3.11Å; N1405-N1407 WeakPolarHBondContact OD1-CB 3.49Å; N1405-N1407 PolarHBondContact OD1-N 3.4Å; N1405-N1407 VanDerWaalsContact OD1-N 3.09Å; N1405-A1408 HydrophobicContact CB-CB 4.17Å; N1405-A1408 WeakPolarHBondContact O-CB 3.35Å; N1405-A1408 PolarHBondContact O-N 3.25Å; N1405-A1408 VanDerWaalsContact O-N 3.09Å; N1405-A1408 PolarHBondContact OD1-N 2.88Å | ||
| 1406 | P | 60.4 | Low | 67.2 | Low | 45 Ų | 45 | 35.8 Ų | 35.8 | 29% | 0.292 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.1 | 178.3 | -24.9 | 35.2 | 0 | 0 | 0 | 114.2 | Y1402 | Y1402-P1406 WeakPolarHBondContact O-CA 3.44Å; Y1402-P1406 WeakPolarHBondContact O-CD 3.09Å |
| 1407 | N | 59 | Low | 66.7 | Low | 131 Ų | 131 | 39.1 Ų | 39.1 | 70% | 0.701 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.7 | 179.6 | -60.8 | -33.2 | 0 | 0 | 0 | 113.1 | N1405 V1409 | N1405-N1407 PolarHBondContact O-N 2.95Å; N1405-N1407 VanDerWaalsContact O-N 3.11Å; N1405-N1407 WeakPolarHBondContact OD1-CB 3.49Å; N1405-N1407 PolarHBondContact OD1-N 3.4Å; N1405-N1407 VanDerWaalsContact OD1-N 3.09Å; N1407-V1409 PolarHBondContact O-N 2.84Å |
| 1408 | A | 56.6 | Low | 66.5 | Low | 33 Ų | 33 | 37.5 Ų | 37.5 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | trans | -72.5 | 114.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1405 N1410 A1411 | N1405-A1408 HydrophobicContact CB-CB 4.17Å; N1405-A1408 WeakPolarHBondContact O-CB 3.35Å; N1405-A1408 PolarHBondContact O-N 3.25Å; N1405-A1408 VanDerWaalsContact O-N 3.09Å; N1405-A1408 PolarHBondContact OD1-N 2.88Å; A1408-N1410 VanDerWaalsContact C-N 3.29Å; A1408-N1410 PolarHBondContact O-N 2.81Å; A1408-N1410 VanDerWaalsContact O-N 3.15Å; A1408-A1411 HydrophobicContact CB-CB 3.97Å; A1408-A1411 WeakPolarHBondContact O-CB 3.25Å; A1408-A1411 PolarHBondContact O-N 2.72Å | ||
| 1409 | V | 55.5 | Low | 66.5 | Low | 31 Ų | 31 | 37.1 Ų | 37.1 | 19% | 0.188 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -47.7 | -48.1 | -173.7 | 175.7 | 0 | 0 | 0 | 0 | 112.9 | N1407 Q1462 G1679 P1681 | N1407-V1409 PolarHBondContact O-N 2.84Å; V1409-Q1462 PolarHBondContact O-NE2 3.46Å; V1409-G1679 WeakPolarHBondContact CG2-O 3.34Å; V1409-P1681 HydrophobicContact CG2-CB 4.01Å; V1409-P1681 HydrophobicContact CG2-CG 4.32Å |
| 1410 | N | 59 | Low | 66.4 | Low | 16 Ų | 16 | 40.5 Ų | 40.5 | 9% | 0.086 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.9 | -23.9 | -179.7 | -74 | -41.8 | 0 | 0 | 0 | 115.8 | A1408 K1412 Q1413 Q1414 E1556 M1560 | A1408-N1410 VanDerWaalsContact C-N 3.29Å; A1408-N1410 PolarHBondContact O-N 2.81Å; A1408-N1410 VanDerWaalsContact O-N 3.15Å; N1410-K1412 PolarHBondContact O-N 2.87Å; N1410-Q1413 PolarHBondContact O-N 3.16Å; N1410-Q1414 HydrophobicContact CB-CG 4.43Å; N1410-Q1414 WeakPolarHBondContact O-CG 3.42Å; N1410-Q1414 PolarHBondContact O-N 3.03Å; N1410-E1556 PolarHBondContact ND2-OE1 2.84Å; N1410-E1556 PolarHBondContact ND2-OE2 3.39Å; N1410-E1556 PolarHBondContact OD1-OE2 3.06Å; N1410-M1560 WeakPolarHBondContact ND2-CB 3.21Å |
| 1411 | A | 62.4 | Low | 66.5 | Low | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -33.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1402 A1408 L1415 | Y1402-A1411 HydrophobicContact CD2-CB 3.75Å; Y1402-A1411 HydrophobicContact CG-CB 4.46Å; A1408-A1411 HydrophobicContact CB-CB 3.97Å; A1408-A1411 WeakPolarHBondContact O-CB 3.25Å; A1408-A1411 PolarHBondContact O-N 2.72Å; A1411-L1415 WeakPolarHBondContact O-CB 3.19Å; A1411-L1415 PolarHBondContact O-N 3.48Å |
| 1412 | K | 64.8 | Low | 67.4 | Low | 37 Ų | 37 | 37.3 Ų | 37.3 | 16% | 0.161 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | 172.6 | -167.8 | -179.9 | 177.1 | -167.2 | 0 | 112 | V1341 Y1402 N1410 L1415 T1416 | V1341-K1412 HydrophobicContact CG2-CG 4.42Å; Y1402-K1412 HydrophobicContact CE2-CB 4.1Å; N1410-K1412 PolarHBondContact O-N 2.87Å; K1412-L1415 WeakPolarHBondContact O-CB 3.5Å; K1412-L1415 PolarHBondContact O-N 3.43Å; K1412-T1416 PolarHBondContact O-N 2.97Å; K1412-T1416 PolarHBondContact O-OG1 3.36Å |
| 1413 | Q | 66.5 | Low | 67.7 | Low | 54 Ų | 54 | 36.7 Ų | 36.7 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -71.2 | -37 | 179.8 | -167.6 | 169.9 | 21.4 | 0 | 0 | 112.5 | N1410 T1416 T1417 N1561 | N1410-Q1413 PolarHBondContact O-N 3.16Å; Q1413-T1416 PolarHBondContact O-N 3.33Å; Q1413-T1417 WeakPolarHBondContact O-CB 3.42Å; Q1413-T1417 PolarHBondContact O-N 3.42Å; Q1413-T1417 PolarHBondContact O-OG1 3.14Å; Q1413-N1561 VanDerWaalsContact CD-ND2 3.3Å; Q1413-N1561 PolarHBondContact OE1-ND2 3.29Å |
| 1414 | Q | 67.2 | Low | 67.9 | Low | 48 Ų | 48 | 38.3 Ų | 38.3 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 171.9 | -71.5 | 177.3 | 0.4 | 0 | 0 | 110.9 | N1410 T1417 A1418 | N1410-Q1414 HydrophobicContact CB-CG 4.43Å; N1410-Q1414 WeakPolarHBondContact O-CG 3.42Å; N1410-Q1414 PolarHBondContact O-N 3.03Å; Q1414-T1417 PolarHBondContact O-N 2.97Å; Q1414-A1418 WeakPolarHBondContact O-CB 3.29Å; Q1414-A1418 PolarHBondContact O-N 2.76Å |
| 1415 | L | 74.2 | Confident | 68.9 | Low | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 174 | 177.2 | 64.3 | 0 | 0 | 0 | 112.1 | V1337 A1340 V1341 L1395 V1399 Y1402 A1411 K1412 A1418 A1419 | V1337-L1415 HydrophobicContact CG1-CD2 4.19Å; V1337-L1415 HydrophobicContact CG1-CG 4.25Å; V1337-L1415 HydrophobicContact CG2-CD1 4.17Å; V1337-L1415 HydrophobicContact CG2-CG 4.15Å; A1340-L1415 HydrophobicContact CB-CD2 4.08Å; V1341-L1415 HydrophobicContact CG2-CD2 4.16Å; L1395-L1415 HydrophobicContact CD1-CD1 3.79Å; V1399-L1415 HydrophobicContact CG2-CD1 3.48Å; V1399-L1415 VanDerWaalsContact CG2-CD1 3.48Å; Y1402-L1415 HydrophobicContact CG-CD2 4.44Å; A1411-L1415 WeakPolarHBondContact O-CB 3.19Å; A1411-L1415 PolarHBondContact O-N 3.48Å; K1412-L1415 WeakPolarHBondContact O-CB 3.5Å; K1412-L1415 PolarHBondContact O-N 3.43Å; L1415-A1418 PolarHBondContact O-N 3.29Å; L1415-A1419 WeakPolarHBondContact O-CB 3.46Å; L1415-A1419 PolarHBondContact O-N 3.43Å |
| 1416 | T | 69.6 | Low | 69.8 | Low | 36 Ų | 36 | 34.9 Ų | 34.9 | 22% | 0.221 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -38.5 | 176.2 | -54.6 | 0 | 0 | 0 | 0 | 112.5 | K1412 Q1413 A1419 R1420 L1456 | K1412-T1416 PolarHBondContact O-N 2.97Å; K1412-T1416 PolarHBondContact O-OG1 3.36Å; Q1413-T1416 PolarHBondContact O-N 3.33Å; T1416-A1419 PolarHBondContact O-N 3.48Å; T1416-R1420 PolarHBondContact O-N 2.85Å; T1416-L1456 HydrophobicContact CG2-CD2 4.37Å |
| 1417 | T | 72.2 | Confident | 70.5 | Confident | 70 Ų | 70 | 33 Ų | 33 | 43% | 0.429 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.5 | -46 | 177.6 | -55.9 | 0 | 0 | 0 | 0 | 111 | Q1413 Q1414 A1419 R1420 S1421 | Q1413-T1417 WeakPolarHBondContact O-CB 3.42Å; Q1413-T1417 PolarHBondContact O-N 3.42Å; Q1413-T1417 PolarHBondContact O-OG1 3.14Å; Q1414-T1417 PolarHBondContact O-N 2.97Å; T1417-A1419 VanDerWaalsContact C-N 3.29Å; T1417-A1419 PolarHBondContact O-N 3.21Å; T1417-R1420 PolarHBondContact O-N 2.88Å; T1417-R1420 VanDerWaalsContact O-N 3.15Å; T1417-S1421 PolarHBondContact O-N 3.35Å; T1417-S1421 PolarHBondContact O-OG 3.4Å |
| 1418 | A | 75.1 | Confident | 71.4 | Confident | 12 Ų | 12 | 34.6 Ų | 34.6 | 10% | 0.099 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -38.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1395 Q1414 L1415 S1421 L1422 | L1395-A1418 HydrophobicContact CB-CB 4.29Å; L1395-A1418 HydrophobicContact CD1-CB 4.07Å; Q1414-A1418 WeakPolarHBondContact O-CB 3.29Å; Q1414-A1418 PolarHBondContact O-N 2.76Å; L1415-A1418 PolarHBondContact O-N 3.29Å; A1418-S1421 PolarHBondContact O-N 2.95Å; A1418-L1422 WeakPolarHBondContact O-CB 3.45Å; A1418-L1422 PolarHBondContact O-N 3.39Å |
| 1419 | A | 76.4 | Confident | 72.6 | Confident | 8 Ų | 8 | 33 Ų | 33 | 7% | 0.066 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1333 V1337 L1395 L1415 T1416 T1417 T1423 | T1333-A1419 HydrophobicContact CG2-CB 3.89Å; V1337-A1419 HydrophobicContact CG2-CB 3.77Å; L1395-A1419 HydrophobicContact CD1-CB 4.12Å; L1415-A1419 WeakPolarHBondContact O-CB 3.46Å; L1415-A1419 PolarHBondContact O-N 3.43Å; T1416-A1419 PolarHBondContact O-N 3.48Å; T1417-A1419 VanDerWaalsContact C-N 3.29Å; T1417-A1419 PolarHBondContact O-N 3.21Å; A1419-T1423 PolarHBondContact O-N 3.28Å; A1419-T1423 PolarHBondContact O-OG1 3.12Å |
| 1420 | R | 74.1 | Confident | 73.6 | Confident | 71 Ų | 71 | 31.7 Ų | 31.7 | 27% | 0.268 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.4 | -50.5 | 172 | -88.3 | -179.4 | 150 | -174.1 | -11.7 | 111.7 | T1416 T1417 L1422 T1423 D1424 E1534 | T1416-R1420 PolarHBondContact O-N 2.85Å; T1417-R1420 PolarHBondContact O-N 2.88Å; T1417-R1420 VanDerWaalsContact O-N 3.15Å; R1420-L1422 VanDerWaalsContact C-N 3.28Å; R1420-L1422 PolarHBondContact O-N 3.5Å; R1420-T1423 CarbonylContact O-C 3.59Å; R1420-T1423 WeakPolarHBondContact O-CA 3.21Å; R1420-T1423 VanDerWaalsContact O-CB 3.32Å; R1420-T1423 WeakPolarHBondContact O-CB 3.39Å; R1420-T1423 PolarHBondContact O-N 2.97Å; R1420-D1424 PolarHBondContact O-N 2.87Å; R1420-E1534 IonicContact CZ-OE1 2.63Å; R1420-E1534 IonicContact NH1-OE1 3.75Å; R1420-E1534 PolarHBondContact NH1-OE1 3.33Å; R1420-E1534 IonicContact NH2-OE1 2.68Å; R1420-E1534 PolarHBondContact NH2-OE1 3.06Å |
| 1421 | S | 76.7 | Confident | 74.2 | Confident | 38 Ų | 38 | 33.7 Ų | 33.7 | 27% | 0.266 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.6 | -30.2 | 178.4 | -52.3 | 0 | 0 | 0 | 0 | 113.4 | H1391 T1417 A1418 S1425 | H1391-S1421 WeakPolarHBondContact CD2-CB 3.25Å; T1417-S1421 PolarHBondContact O-N 3.35Å; T1417-S1421 PolarHBondContact O-OG 3.4Å; A1418-S1421 PolarHBondContact O-N 2.95Å; S1421-S1425 WeakPolarHBondContact O-CB 3.42Å; S1421-S1425 PolarHBondContact O-N 3.37Å; S1421-S1425 PolarHBondContact O-OG 3.22Å |
| 1422 | L | 85.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66 | -43 | 168.1 | -178.4 | 57.8 | 0 | 0 | 0 | 111.3 | T1333 F1354 V1388 H1391 S1392 L1395 A1418 R1420 D1424 S1425 I1426 | T1333-L1422 HydrophobicContact CG2-CD2 4.18Å; F1354-L1422 HydrophobicContact CE2-CD2 3.8Å; F1354-L1422 HydrophobicContact CZ-CD2 3.81Å; V1388-L1422 HydrophobicContact CG1-CD1 4.04Å; H1391-L1422 HydrophobicContact CB-CB 4.2Å; H1391-L1422 HydrophobicContact CB-CD1 4Å; S1392-L1422 WeakPolarHBondContact OG-CD1 3.28Å; L1395-L1422 HydrophobicContact CD2-CD2 3.55Å; A1418-L1422 WeakPolarHBondContact O-CB 3.45Å; A1418-L1422 PolarHBondContact O-N 3.39Å; R1420-L1422 VanDerWaalsContact C-N 3.28Å; R1420-L1422 PolarHBondContact O-N 3.5Å; L1422-D1424 PolarHBondContact O-N 2.88Å; L1422-S1425 WeakPolarHBondContact CA-OG 3.39Å; L1422-S1425 PolarHBondContact O-N 3.44Å; L1422-S1425 PolarHBondContact O-OG 3.02Å; L1422-I1426 HydrophobicContact CD1-CD1 4.08Å; L1422-I1426 HydrophobicContact CD1-CG1 4.26Å; L1422-I1426 HydrophobicContact CG-CD1 3.88Å; L1422-I1426 WeakPolarHBondContact O-CB 3.41Å; L1422-I1426 WeakPolarHBondContact O-CD1 3.29Å; L1422-I1426 WeakPolarHBondContact O-CG1 3.2Å; L1422-I1426 PolarHBondContact O-N 2.85Å |
| 1423 | T | 77 | Confident | 75 | Confident | 8 Ų | 8 | 34 Ų | 34 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 175.5 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | T1330 A1419 R1420 I1426 N1427 | T1330-T1423 HydrophobicContact CG2-CG2 4.28Å; A1419-T1423 PolarHBondContact O-N 3.28Å; A1419-T1423 PolarHBondContact O-OG1 3.12Å; R1420-T1423 CarbonylContact O-C 3.59Å; R1420-T1423 WeakPolarHBondContact O-CA 3.21Å; R1420-T1423 VanDerWaalsContact O-CB 3.32Å; R1420-T1423 WeakPolarHBondContact O-CB 3.39Å; R1420-T1423 PolarHBondContact O-N 2.97Å; T1423-I1426 PolarHBondContact O-N 3.28Å; T1423-N1427 WeakPolarHBondContact O-CB 3.49Å; T1423-N1427 PolarHBondContact O-N 3.4Å; T1423-N1427 PolarHBondContact O-ND2 2.74Å; T1423-N1427 PolarHBondContact O-OD1 2.82Å |
| 1424 | D | 71.5 | Confident | 75 | Confident | 84 Ų | 84 | 32 Ų | 32 | 45% | 0.449 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65.4 | -39.5 | 177.2 | -66.4 | -32.7 | 0 | 0 | 0 | 112.8 | R1420 L1422 N1427 R1428 | R1420-D1424 PolarHBondContact O-N 2.87Å; L1422-D1424 PolarHBondContact O-N 2.88Å; D1424-N1427 WeakPolarHBondContact O-CB 3.18Å; D1424-N1427 PolarHBondContact O-N 3.2Å; D1424-R1428 WeakPolarHBondContact O-CB 3.48Å; D1424-R1428 PolarHBondContact O-N 2.85Å |
| 1425 | S | 82.3 | Confident | 74.7 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.1 | -36.1 | 175.6 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | V1388 S1421 L1422 N1427 R1428 L1429 | V1388-S1425 VanDerWaalsContact CG2-O 3.28Å; V1388-S1425 WeakPolarHBondContact CG2-O 3.27Å; S1421-S1425 WeakPolarHBondContact O-CB 3.42Å; S1421-S1425 PolarHBondContact O-N 3.37Å; S1421-S1425 PolarHBondContact O-OG 3.22Å; L1422-S1425 WeakPolarHBondContact CA-OG 3.39Å; L1422-S1425 PolarHBondContact O-N 3.44Å; L1422-S1425 PolarHBondContact O-OG 3.02Å; S1425-N1427 VanDerWaalsContact C-N 3.34Å; S1425-R1428 PolarHBondContact O-N 2.96Å; S1425-L1429 WeakPolarHBondContact O-CB 3.46Å; S1425-L1429 PolarHBondContact O-N 3.2Å |
| 1426 | I | 80.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 169 | -69.5 | 163.7 | 0 | 0 | 0 | 110.3 | A1326 L1329 V1388 L1422 T1423 L1429 V1430 | A1326-I1426 HydrophobicContact CB-CG2 3.62Å; L1329-I1426 HydrophobicContact CB-CD1 4.24Å; L1329-I1426 HydrophobicContact CD2-CD1 3.61Å; L1329-I1426 HydrophobicContact CD2-CG1 4.07Å; L1329-I1426 HydrophobicContact CG-CD1 3.78Å; V1388-I1426 HydrophobicContact CG1-CG1 4.11Å; V1388-I1426 HydrophobicContact CG2-CG1 4.35Å; L1422-I1426 HydrophobicContact CD1-CD1 4.08Å; L1422-I1426 HydrophobicContact CD1-CG1 4.26Å; L1422-I1426 HydrophobicContact CG-CD1 3.88Å; L1422-I1426 WeakPolarHBondContact O-CB 3.41Å; L1422-I1426 WeakPolarHBondContact O-CD1 3.29Å; L1422-I1426 WeakPolarHBondContact O-CG1 3.2Å; L1422-I1426 PolarHBondContact O-N 2.85Å; T1423-I1426 PolarHBondContact O-N 3.28Å; I1426-L1429 PolarHBondContact O-N 2.7Å; I1426-V1430 WeakPolarHBondContact O-CG2 3.38Å; I1426-V1430 PolarHBondContact O-N 3.22Å |
| 1427 | N | 73.6 | Confident | 73.5 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 176.3 | -66 | -17 | 0 | 0 | 0 | 111 | T1423 D1424 S1425 L1429 V1430 D1431 R1448 | T1423-N1427 WeakPolarHBondContact O-CB 3.49Å; T1423-N1427 PolarHBondContact O-N 3.4Å; T1423-N1427 PolarHBondContact O-ND2 2.74Å; T1423-N1427 PolarHBondContact O-OD1 2.82Å; D1424-N1427 WeakPolarHBondContact O-CB 3.18Å; D1424-N1427 PolarHBondContact O-N 3.2Å; S1425-N1427 VanDerWaalsContact C-N 3.34Å; N1427-L1429 VanDerWaalsContact C-N 3.3Å; N1427-L1429 PolarHBondContact O-N 2.88Å; N1427-V1430 WeakPolarHBondContact O-CB 3.32Å; N1427-V1430 PolarHBondContact O-N 3.31Å; N1427-V1430 VanDerWaalsContact O-N 3.13Å; N1427-D1431 PolarHBondContact O-N 2.98Å; N1427-R1448 WeakPolarHBondContact OD1-CD 3.45Å; N1427-R1448 PolarHBondContact OD1-NE 3.41Å; N1427-R1448 PolarHBondContact OD1-NH1 2.99Å |
| 1428 | R | 77.9 | Confident | 73.2 | Confident | 164 Ų | 164 | 37.7 Ų | 37.7 | 62% | 0.619 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -60.2 | -37.5 | 176.9 | -170.5 | 177.6 | -175.9 | -178.1 | 2 | 112.6 | D1424 S1425 D1431 V1432 | D1424-R1428 WeakPolarHBondContact O-CB 3.48Å; D1424-R1428 PolarHBondContact O-N 2.85Å; S1425-R1428 PolarHBondContact O-N 2.96Å; R1428-D1431 PolarHBondContact O-N 2.76Å; R1428-V1432 VanDerWaalsContact O-CG2 3.32Å; R1428-V1432 WeakPolarHBondContact O-CG2 3.17Å; R1428-V1432 PolarHBondContact O-N 3.37Å; R1428-V1432 VanDerWaalsContact O-N 3.12Å |
| 1429 | L | 81.5 | Confident | 73 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -46.9 | 173.9 | 178.8 | 65.5 | 0 | 0 | 0 | 111.5 | L1361 V1365 A1384 V1388 S1425 I1426 N1427 D1431 V1432 C1433 | L1361-L1429 HydrophobicContact CD1-CD2 4.15Å; L1361-L1429 HydrophobicContact CD2-CD2 3.88Å; L1361-L1429 HydrophobicContact CG-CD2 4.05Å; V1365-L1429 HydrophobicContact CG1-CD1 4.18Å; V1365-L1429 HydrophobicContact CG2-CD1 4.01Å; V1365-L1429 HydrophobicContact CG2-CD2 4.05Å; V1365-L1429 HydrophobicContact CG2-CG 4.28Å; A1384-L1429 HydrophobicContact CB-CB 4.42Å; A1384-L1429 HydrophobicContact CB-CD1 3.87Å; V1388-L1429 HydrophobicContact CG2-CB 4.04Å; V1388-L1429 HydrophobicContact CG2-CD2 3.95Å; S1425-L1429 WeakPolarHBondContact O-CB 3.46Å; S1425-L1429 PolarHBondContact O-N 3.2Å; I1426-L1429 PolarHBondContact O-N 2.7Å; N1427-L1429 VanDerWaalsContact C-N 3.3Å; N1427-L1429 PolarHBondContact O-N 2.88Å; L1429-D1431 VanDerWaalsContact C-N 3.31Å; L1429-D1431 PolarHBondContact O-N 2.95Å; L1429-V1432 PolarHBondContact O-N 3.42Å; L1429-C1433 VanDerWaalsContact O-CB 3.31Å; L1429-C1433 WeakPolarHBondContact O-CB 3.5Å; L1429-C1433 PolarHBondContact O-N 2.81Å; L1429-C1433 PolarHBondContact O-SG 3.2Å |
| 1430 | V | 76.6 | Confident | 72.9 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 175.3 | 170.7 | 0 | 0 | 0 | 0 | 111 | I1322 A1326 I1426 N1427 V1432 C1433 T1434 | I1322-V1430 HydrophobicContact CG2-CG2 4.11Å; A1326-V1430 HydrophobicContact CB-CG2 3.66Å; I1426-V1430 WeakPolarHBondContact O-CG2 3.38Å; I1426-V1430 PolarHBondContact O-N 3.22Å; N1427-V1430 WeakPolarHBondContact O-CB 3.32Å; N1427-V1430 PolarHBondContact O-N 3.31Å; N1427-V1430 VanDerWaalsContact O-N 3.13Å; V1430-V1432 PolarHBondContact O-N 2.81Å; V1430-C1433 PolarHBondContact O-N 3.28Å; V1430-T1434 HydrophobicContact CG1-CG2 4.06Å; V1430-T1434 WeakPolarHBondContact O-CB 3.4Å; V1430-T1434 VanDerWaalsContact O-CG2 3.3Å; V1430-T1434 WeakPolarHBondContact O-CG2 3.17Å; V1430-T1434 PolarHBondContact O-N 2.85Å; V1430-T1434 PolarHBondContact O-OG1 3.36Å |
| 1431 | D | 71.9 | Confident | 72.7 | Confident | 59 Ų | 59 | 39.4 Ų | 39.4 | 32% | 0.316 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 179.7 | -75.4 | -26.3 | 0 | 0 | 0 | 113.2 | N1427 R1428 L1429 K1441 | N1427-D1431 PolarHBondContact O-N 2.98Å; R1428-D1431 PolarHBondContact O-N 2.76Å; L1429-D1431 VanDerWaalsContact C-N 3.31Å; L1429-D1431 PolarHBondContact O-N 2.95Å; D1431-K1441 PolarHBondContact O-NZ 3.31Å |
| 1432 | V | 75.2 | Confident | 72.7 | Confident | 40 Ų | 40 | 38.7 Ų | 38.7 | 24% | 0.242 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.7 | -32.6 | 177.2 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | I1377 Q1380 M1381 R1428 L1429 V1430 | I1377-V1432 HydrophobicContact CG2-CG1 4.32Å; Q1380-V1432 HydrophobicContact CB-CG1 4.1Å; M1381-V1432 HydrophobicContact CB-CG1 4.41Å; M1381-V1432 HydrophobicContact CG-CG1 3.59Å; R1428-V1432 VanDerWaalsContact O-CG2 3.32Å; R1428-V1432 WeakPolarHBondContact O-CG2 3.17Å; R1428-V1432 PolarHBondContact O-N 3.37Å; R1428-V1432 VanDerWaalsContact O-N 3.12Å; L1429-V1432 PolarHBondContact O-N 3.42Å; V1430-V1432 PolarHBondContact O-N 2.81Å |
| 1433 | C | 69.9 | Low | 72.5 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -82.2 | -29.7 | -176.9 | -68.3 | 0 | 0 | 0 | 0 | 114.4 | Q1319 I1322 L1368 L1429 V1430 | Q1319-C1433 PolarHBondContact NE2-O 2.84Å; I1322-C1433 HydrophobicContact CD1-CB 3.67Å; L1368-C1433 HydrophobicContact CD2-CB 3.52Å; L1368-C1433 VanDerWaalsContact CD2-O 3.28Å; L1368-C1433 WeakPolarHBondContact CD2-O 3.35Å; L1429-C1433 VanDerWaalsContact O-CB 3.31Å; L1429-C1433 WeakPolarHBondContact O-CB 3.5Å; L1429-C1433 PolarHBondContact O-N 2.81Å; L1429-C1433 PolarHBondContact O-SG 3.2Å; V1430-C1433 PolarHBondContact O-N 3.28Å |
| 1434 | T | 65.4 | Low | 72.5 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | trans | -98.3 | 141.2 | -169.2 | 58.9 | 0 | 0 | 0 | 0 | 113 | V1430 G1436 K1441 | V1430-T1434 HydrophobicContact CG1-CG2 4.06Å; V1430-T1434 WeakPolarHBondContact O-CB 3.4Å; V1430-T1434 VanDerWaalsContact O-CG2 3.3Å; V1430-T1434 WeakPolarHBondContact O-CG2 3.17Å; V1430-T1434 PolarHBondContact O-N 2.85Å; V1430-T1434 PolarHBondContact O-OG1 3.36Å; T1434-G1436 VanDerWaalsContact C-N 3.27Å; T1434-G1436 PolarHBondContact O-N 2.81Å; T1434-K1441 VanDerWaalsContact O-CE 3.25Å; T1434-K1441 WeakPolarHBondContact O-CE 3.48Å; T1434-K1441 PolarHBondContact O-NZ 3.14Å; T1434-K1441 VanDerWaalsContact OG1-CE 3.27Å; T1434-K1441 WeakPolarHBondContact OG1-CE 3.23Å | ||
| 1435 | S | 62 | Low | 72.6 | Confident | 97 Ų | 97 | 37.1 Ų | 37.1 | 68% | 0.678 | 21% | 0.208 | S | C | * | . | trans | -92.6 | 26.5 | 169.5 | 42 | 0 | 0 | 0 | 0 | 112.9 | Q1319 | Q1319-S1435 VanDerWaalsContact NE2-N 3.19Å; Q1319-S1435 PolarHBondContact NE2-OG 3.22Å; Q1319-S1435 VanDerWaalsContact NE2-OG 3.09Å; Q1319-S1435 PolarHBondContact OE1-OG 3.33Å | ||
| 1436 | G | 57.5 | Low | 72.5 | Confident | 31 Ų | 31 | 37 Ų | 37 | 32% | 0.32 | 21% | 0.207 | S | C | . | . | trans | -64 | 152.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1434 K1441 | T1434-G1436 VanDerWaalsContact C-N 3.27Å; T1434-G1436 PolarHBondContact O-N 2.81Å; G1436-K1441 WeakPolarHBondContact O-CE 3.37Å | ||
| 1437 | S | 61.6 | Low | 72.6 | Confident | 52 Ų | 52 | 38 Ų | 38 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | trans | -59 | 139.6 | 178.2 | -66.2 | 0 | 0 | 0 | 0 | 110.3 | W1439 Q1440 K1441 | S1437-W1439 VanDerWaalsContact CB-NE1 3.32Å; S1437-W1439 PolarHBondContact O-N 3.2Å; S1437-Q1440 WeakPolarHBondContact O-CB 3.45Å; S1437-Q1440 PolarHBondContact O-N 3.06Å; S1437-K1441 PolarHBondContact O-N 3.15Å | ||
| 1438 | P | 64.4 | Low | 72.5 | Confident | 94 Ų | 94 | 39.3 Ų | 39.3 | 61% | 0.61 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -50.3 | -41.1 | -174.8 | -30.4 | 35.4 | 0 | 0 | 0 | 114 | Q1440 K1441 E1442 | P1438-Q1440 PolarHBondContact O-N 3.37Å; P1438-K1441 PolarHBondContact O-N 3.04Å; P1438-E1442 PolarHBondContact O-N 2.99Å; P1438-E1442 VanDerWaalsContact O-N 3.14Å |
| 1439 | W | 71.7 | Confident | 72.4 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 6% | 0.057 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.8 | -24.8 | -179.9 | 67.8 | -93.4 | 0 | 0 | 0 | 114.5 | S1437 C1443 L1515 F1518 C1519 K1714 A1717 L1718 | S1437-W1439 VanDerWaalsContact CB-NE1 3.32Å; S1437-W1439 PolarHBondContact O-N 3.2Å; W1439-C1443 PolarHBondContact O-N 3.05Å; W1439-C1443 VanDerWaalsContact O-N 3.15Å; W1439-C1443 PolarHBondContact O-SG 2.72Å; W1439-L1515 HydrophobicContact CB-CD2 4.45Å; W1439-L1515 HydrophobicContact CG-CD2 4.03Å; W1439-F1518 HydrophobicContact CB-CD1 3.83Å; W1439-F1518 HydrophobicContact CB-CE1 3.97Å; W1439-F1518 HydrophobicContact CE3-CE1 4.42Å; W1439-C1519 WeakPolarHBondContact CA-SG 3.36Å; W1439-C1519 PolarHBondContact N-SG 3.44Å; W1439-C1519 VanDerWaalsContact N-SG 3.42Å; W1439-K1714 HydrophobicContact CZ3-CG 3.73Å; W1439-K1714 WeakPolarHBondContact CZ3-O 3.42Å; W1439-A1717 HydrophobicContact CD2-CB 3.82Å; W1439-A1717 HydrophobicContact CE3-CB 3.39Å; W1439-A1717 HydrophobicContact CH2-CB 4.16Å; W1439-A1717 HydrophobicContact CZ2-CB 4.5Å; W1439-A1717 HydrophobicContact CZ3-CB 3.57Å; W1439-L1718 HydrophobicContact CH2-CD1 4.48Å; W1439-L1718 HydrophobicContact CH2-CD2 3.54Å; W1439-L1718 HydrophobicContact CH2-CG 3.61Å; W1439-L1718 HydrophobicContact CZ2-CD2 3.8Å; W1439-L1718 HydrophobicContact CZ2-CG 4.28Å; W1439-L1718 HydrophobicContact CZ3-CG 4.48Å |
| 1440 | Q | 74.4 | Confident | 72.3 | Confident | 62 Ų | 62 | 33.2 Ų | 33.2 | 29% | 0.29 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -74.7 | -46.9 | 174.8 | -71.9 | 177.1 | -31.2 | 0 | 0 | 110.7 | S1437 P1438 E1442 C1443 D1444 | S1437-Q1440 WeakPolarHBondContact O-CB 3.45Å; S1437-Q1440 PolarHBondContact O-N 3.06Å; P1438-Q1440 PolarHBondContact O-N 3.37Å; Q1440-E1442 PolarHBondContact O-N 3.26Å; Q1440-C1443 PolarHBondContact O-N 3.18Å; Q1440-D1444 PolarHBondContact O-N 3.37Å |
| 1441 | K | 70.2 | Confident | 72.5 | Confident | 50 Ų | 50 | 38.2 Ų | 38.2 | 22% | 0.217 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.1 | -44.8 | 173.9 | -63 | -171.3 | 177.7 | -169 | 0 | 110.6 | D1431 T1434 G1436 S1437 P1438 D1444 S1445 | D1431-K1441 PolarHBondContact O-NZ 3.31Å; T1434-K1441 VanDerWaalsContact O-CE 3.25Å; T1434-K1441 WeakPolarHBondContact O-CE 3.48Å; T1434-K1441 PolarHBondContact O-NZ 3.14Å; T1434-K1441 VanDerWaalsContact OG1-CE 3.27Å; T1434-K1441 WeakPolarHBondContact OG1-CE 3.23Å; G1436-K1441 WeakPolarHBondContact O-CE 3.37Å; S1437-K1441 PolarHBondContact O-N 3.15Å; P1438-K1441 PolarHBondContact O-N 3.04Å; K1441-D1444 PolarHBondContact O-N 2.92Å; K1441-S1445 VanDerWaalsContact O-CB 3.27Å; K1441-S1445 WeakPolarHBondContact O-CB 3.42Å; K1441-S1445 PolarHBondContact O-N 2.72Å |
| 1442 | E | 75.4 | Confident | 72.4 | Confident | 23 Ų | 23 | 36.5 Ų | 36.5 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.1 | -44.9 | -179.3 | -144.5 | 62 | -119.9 | 0 | 0 | 113.9 | P1438 Q1440 D1444 S1445 A1446 C1519 V1522 R1523 | P1438-E1442 PolarHBondContact O-N 2.99Å; P1438-E1442 VanDerWaalsContact O-N 3.14Å; Q1440-E1442 PolarHBondContact O-N 3.26Å; E1442-D1444 VanDerWaalsContact C-N 3.34Å; E1442-D1444 PolarHBondContact O-N 3.21Å; E1442-S1445 PolarHBondContact O-N 3.09Å; E1442-A1446 WeakPolarHBondContact O-CB 3.31Å; E1442-A1446 PolarHBondContact O-N 3.38Å; E1442-C1519 HydrophobicContact CB-CB 4.26Å; E1442-C1519 HydrophobicContact CG-CB 4.03Å; E1442-V1522 HydrophobicContact CB-CG1 4.49Å; E1442-V1522 HydrophobicContact CG-CB 4.43Å; E1442-V1522 HydrophobicContact CG-CG1 4.27Å; E1442-R1523 HydrophobicContact CG-CG 3.83Å; E1442-R1523 WeakPolarHBondContact OE1-CG 3.48Å; E1442-R1523 IonicContact OE1-CZ 3.06Å; E1442-R1523 IonicContact OE1-NE 3.2Å; E1442-R1523 PolarHBondContact OE1-NE 2.93Å; E1442-R1523 IonicContact OE1-NH2 3.87Å; E1442-R1523 IonicContact OE2-CZ 3Å; E1442-R1523 VanDerWaalsContact OE2-CZ 3.27Å; E1442-R1523 IonicContact OE2-NE 3.3Å; E1442-R1523 PolarHBondContact OE2-NE 3.42Å; E1442-R1523 VanDerWaalsContact OE2-NE 3.09Å; E1442-R1523 IonicContact OE2-NH2 2.79Å; E1442-R1523 PolarHBondContact OE2-NH2 2.77Å |
| 1443 | C | 81.6 | Confident | 72.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 176.1 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | W1439 Q1440 A1446 L1447 I1710 K1714 | W1439-C1443 PolarHBondContact O-N 3.05Å; W1439-C1443 VanDerWaalsContact O-N 3.15Å; W1439-C1443 PolarHBondContact O-SG 2.72Å; Q1440-C1443 PolarHBondContact O-N 3.18Å; C1443-A1446 PolarHBondContact O-N 3.09Å; C1443-L1447 WeakPolarHBondContact O-CB 3.46Å; C1443-L1447 VanDerWaalsContact O-CG 3.26Å; C1443-L1447 WeakPolarHBondContact O-CG 3.22Å; C1443-L1447 PolarHBondContact O-N 3.02Å; C1443-I1710 HydrophobicContact CB-CG2 3.97Å; C1443-K1714 HydrophobicContact CB-CB 4.41Å; C1443-K1714 HydrophobicContact CB-CD 4.28Å; C1443-K1714 HydrophobicContact CB-CG 4.2Å |
| 1444 | D | 76.2 | Confident | 72.7 | Confident | 42 Ų | 42 | 36.8 Ų | 36.8 | 23% | 0.225 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76.7 | -27.2 | -178.9 | -67.7 | -30.5 | 0 | 0 | 0 | 112.5 | Q1440 K1441 E1442 R1448 K1714 | Q1440-D1444 PolarHBondContact O-N 3.37Å; K1441-D1444 PolarHBondContact O-N 2.92Å; E1442-D1444 VanDerWaalsContact C-N 3.34Å; E1442-D1444 PolarHBondContact O-N 3.21Å; D1444-R1448 WeakPolarHBondContact O-CG 3.3Å; D1444-R1448 PolarHBondContact O-N 3.19Å; D1444-R1448 PolarHBondContact O-NE 3.43Å; D1444-K1714 IonicContact OD1-NZ 2.72Å; D1444-K1714 PolarHBondContact OD1-NZ 2.77Å; D1444-K1714 IonicContact OD2-NZ 3.21Å; D1444-K1714 PolarHBondContact OD2-NZ 2.9Å |
| 1445 | S | 73.9 | Confident | 73 | Confident | 18 Ų | 18 | 39.8 Ų | 39.8 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -53.6 | 166 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | K1441 E1442 L1447 R1448 N1449 | K1441-S1445 VanDerWaalsContact O-CB 3.27Å; K1441-S1445 WeakPolarHBondContact O-CB 3.42Å; K1441-S1445 PolarHBondContact O-N 2.72Å; E1442-S1445 PolarHBondContact O-N 3.09Å; S1445-L1447 VanDerWaalsContact C-N 3.35Å; S1445-L1447 PolarHBondContact O-N 3.09Å; S1445-R1448 PolarHBondContact O-N 2.87Å; S1445-R1448 VanDerWaalsContact O-N 3.14Å; S1445-N1449 VanDerWaalsContact O-CG 3.31Å; S1445-N1449 PolarHBondContact O-N 3.34Å; S1445-N1449 PolarHBondContact O-OD1 3.21Å |
| 1446 | A | 80.6 | Confident | 73.6 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.5 | -41.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1442 C1443 N1449 M1450 V1522 I1710 | E1442-A1446 WeakPolarHBondContact O-CB 3.31Å; E1442-A1446 PolarHBondContact O-N 3.38Å; C1443-A1446 PolarHBondContact O-N 3.09Å; A1446-N1449 PolarHBondContact O-N 2.84Å; A1446-M1450 WeakPolarHBondContact O-CG 3.48Å; A1446-M1450 PolarHBondContact O-N 3.49Å; A1446-V1522 HydrophobicContact CB-CG1 3.84Å; A1446-I1710 HydrophobicContact CB-CD1 3.58Å |
| 1447 | L | 82.8 | Confident | 74.5 | Confident | 21 Ų | 21 | 35 Ų | 35 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 176.2 | -74.5 | 170.1 | 0 | 0 | 0 | 112.5 | C1443 S1445 Q1451 I1707 I1710 K1711 | C1443-L1447 WeakPolarHBondContact O-CB 3.46Å; C1443-L1447 VanDerWaalsContact O-CG 3.26Å; C1443-L1447 WeakPolarHBondContact O-CG 3.22Å; C1443-L1447 PolarHBondContact O-N 3.02Å; S1445-L1447 VanDerWaalsContact C-N 3.35Å; S1445-L1447 PolarHBondContact O-N 3.09Å; L1447-Q1451 WeakPolarHBondContact O-CB 3.4Å; L1447-Q1451 VanDerWaalsContact O-CG 3.28Å; L1447-Q1451 WeakPolarHBondContact O-CG 3.15Å; L1447-Q1451 PolarHBondContact O-N 2.84Å; L1447-I1707 HydrophobicContact CD2-CB 4.29Å; L1447-I1707 HydrophobicContact CD2-CG1 4.32Å; L1447-I1707 HydrophobicContact CD2-CG2 3.94Å; L1447-I1710 HydrophobicContact CD1-CG2 4.32Å; L1447-I1710 HydrophobicContact CD2-CB 4.12Å; L1447-I1710 HydrophobicContact CD2-CG2 4.07Å; L1447-I1710 HydrophobicContact CG-CB 4.44Å; L1447-I1710 HydrophobicContact CG-CG2 3.84Å; L1447-K1711 HydrophobicContact CD1-CG 4.26Å; L1447-K1711 HydrophobicContact CD2-CG 4.17Å |
| 1448 | R | 72.3 | Confident | 75.1 | Confident | 35 Ų | 35 | 36.2 Ų | 36.2 | 13% | 0.132 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | 176.4 | -75.7 | 174.9 | -73.8 | 178.7 | 0.8 | 111.4 | N1427 D1444 S1445 Q1451 A1452 | N1427-R1448 WeakPolarHBondContact OD1-CD 3.45Å; N1427-R1448 PolarHBondContact OD1-NE 3.41Å; N1427-R1448 PolarHBondContact OD1-NH1 2.99Å; D1444-R1448 WeakPolarHBondContact O-CG 3.3Å; D1444-R1448 PolarHBondContact O-N 3.19Å; D1444-R1448 PolarHBondContact O-NE 3.43Å; S1445-R1448 PolarHBondContact O-N 2.87Å; S1445-R1448 VanDerWaalsContact O-N 3.14Å; R1448-Q1451 PolarHBondContact O-N 3.27Å; R1448-A1452 PolarHBondContact O-N 2.98Å; R1448-A1452 VanDerWaalsContact O-N 3.12Å |
| 1449 | N | 74.5 | Confident | 75.4 | Confident | 37 Ų | 37 | 36.1 Ų | 36.1 | 20% | 0.198 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 178.4 | -66.9 | -3.9 | 0 | 0 | 0 | 111.8 | S1445 A1446 Q1451 A1452 | S1445-N1449 VanDerWaalsContact O-CG 3.31Å; S1445-N1449 PolarHBondContact O-N 3.34Å; S1445-N1449 PolarHBondContact O-OD1 3.21Å; A1446-N1449 PolarHBondContact O-N 2.84Å; N1449-Q1451 PolarHBondContact O-N 3.34Å; N1449-A1452 PolarHBondContact O-N 2.85Å |
| 1450 | M | 80.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 175.2 | -70.4 | -178.9 | -176 | 0 | 0 | 112.5 | A1446 A1452 V1453 V1525 V1529 I1703 I1707 I1710 | A1446-M1450 WeakPolarHBondContact O-CG 3.48Å; A1446-M1450 PolarHBondContact O-N 3.49Å; M1450-A1452 VanDerWaalsContact C-N 3.3Å; M1450-A1452 PolarHBondContact O-N 2.89Å; M1450-V1453 PolarHBondContact O-N 3.22Å; M1450-V1525 HydrophobicContact CE-CG1 4.07Å; M1450-V1529 HydrophobicContact CE-CB 3.92Å; M1450-V1529 HydrophobicContact CE-CG1 4.11Å; M1450-V1529 HydrophobicContact CE-CG2 4Å; M1450-V1529 HydrophobicContact CG-CG1 4.07Å; M1450-V1529 HydrophobicContact SD-CG1 4.23Å; M1450-I1703 HydrophobicContact CB-CG2 4.33Å; M1450-I1707 HydrophobicContact CB-CD1 4.16Å; M1450-I1707 HydrophobicContact CB-CG1 3.89Å; M1450-I1707 HydrophobicContact SD-CG1 4.03Å; M1450-I1710 HydrophobicContact CE-CD1 3.31Å; M1450-I1710 HydrophobicContact CE-CG1 4.25Å; M1450-I1710 HydrophobicContact SD-CD1 4Å |
| 1451 | Q | 80.3 | Confident | 75.1 | Confident | 106 Ų | 106 | 34.8 Ų | 34.8 | 50% | 0.495 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.2 | -32.7 | 177.6 | -77.1 | 177.2 | -32.7 | 0 | 0 | 113 | L1447 R1448 N1449 V1453 I1707 | L1447-Q1451 WeakPolarHBondContact O-CB 3.4Å; L1447-Q1451 VanDerWaalsContact O-CG 3.28Å; L1447-Q1451 WeakPolarHBondContact O-CG 3.15Å; L1447-Q1451 PolarHBondContact O-N 2.84Å; R1448-Q1451 PolarHBondContact O-N 3.27Å; N1449-Q1451 PolarHBondContact O-N 3.34Å; Q1451-V1453 PolarHBondContact O-N 3.42Å; Q1451-I1707 HydrophobicContact CG-CD1 3.93Å |
| 1452 | A | 69.3 | Low | 74.9 | Confident | 23 Ų | 23 | 34.7 Ų | 34.7 | 19% | 0.19 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1448 N1449 M1450 | R1448-A1452 PolarHBondContact O-N 2.98Å; R1448-A1452 VanDerWaalsContact O-N 3.12Å; N1449-A1452 PolarHBondContact O-N 2.85Å; M1450-A1452 VanDerWaalsContact C-N 3.3Å; M1450-A1452 PolarHBondContact O-N 2.89Å |
| 1453 | V | 76.4 | Confident | 74.5 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -24 | -175.9 | -177.4 | 0 | 0 | 0 | 0 | 112.9 | M1450 Q1451 H1455 L1456 C1530 I1703 | M1450-V1453 PolarHBondContact O-N 3.22Å; Q1451-V1453 PolarHBondContact O-N 3.42Å; V1453-H1455 PolarHBondContact O-N 2.96Å; V1453-L1456 WeakPolarHBondContact O-CB 3.35Å; V1453-L1456 PolarHBondContact O-N 3.3Å; V1453-C1530 HydrophobicContact CG2-CB 4.3Å; V1453-I1703 HydrophobicContact CB-CD1 4.02Å; V1453-I1703 HydrophobicContact CG1-CD1 3.72Å |
| 1454 | Y | 76.8 | Confident | 73.9 | Confident | 51 Ų | 51 | 39.4 Ų | 39.4 | 20% | 0.2 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.2 | -40 | -179.8 | -78.6 | -96.9 | 0 | 0 | 0 | 112.6 | L1456 L1457 D1458 H1700 I1703 D1704 I1707 | Y1454-L1456 PolarHBondContact O-N 3.29Å; Y1454-L1456 VanDerWaalsContact O-N 3.15Å; Y1454-L1457 PolarHBondContact O-N 3.31Å; Y1454-D1458 PolarHBondContact O-N 3.09Å; Y1454-H1700 AromaticContact CD1-CE1 3.97Å; Y1454-H1700 AromaticContact CD1-ND1 3.44Å; Y1454-H1700 WeakPolarHBondContact CD1-ND1 3.49Å; Y1454-H1700 AromaticContact CE1-ND1 3.76Å; Y1454-I1703 HydrophobicContact CD2-CG2 4.09Å; Y1454-I1703 HydrophobicContact CE2-CB 4.31Å; Y1454-I1703 HydrophobicContact CE2-CG2 3.35Å; Y1454-D1704 PolarHBondContact OH-OD1 3Å; Y1454-I1707 HydrophobicContact CE2-CD1 3.79Å |
| 1455 | H | 71.4 | Confident | 73.7 | Confident | 75 Ų | 75 | 38.8 Ų | 38.8 | 35% | 0.347 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.4 | -20.3 | -178.1 | -63.4 | -33.1 | 0 | 0 | 0 | 114.4 | V1453 D1458 | V1453-H1455 PolarHBondContact O-N 2.96Å; H1455-D1458 IonicContact ND1-OD2 2.94Å |
| 1456 | L | 74 | Confident | 73.4 | Confident | 28 Ų | 28 | 44 Ų | 44 | 15% | 0.147 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -79.1 | -32.6 | 172.8 | -60.5 | 175.5 | 0 | 0 | 0 | 111.9 | T1416 V1453 Y1454 V1464 E1534 A1537 | T1416-L1456 HydrophobicContact CG2-CD2 4.37Å; V1453-L1456 WeakPolarHBondContact O-CB 3.35Å; V1453-L1456 PolarHBondContact O-N 3.3Å; Y1454-L1456 PolarHBondContact O-N 3.29Å; Y1454-L1456 VanDerWaalsContact O-N 3.15Å; L1456-V1464 HydrophobicContact CD1-CG1 4.29Å; L1456-E1534 HydrophobicContact CD1-CG 3.77Å; L1456-A1537 HydrophobicContact CB-CB 4.07Å |
| 1457 | L | 77.3 | Confident | 73.1 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -83.5 | -29.4 | 178 | -70.4 | 171.6 | 0 | 0 | 0 | 112.9 | Y1454 Y1459 P1460 A1536 A1537 V1696 I1703 | Y1454-L1457 PolarHBondContact O-N 3.31Å; L1457-Y1459 VanDerWaalsContact C-N 3.27Å; L1457-Y1459 PolarHBondContact O-N 3.38Å; L1457-P1460 WeakPolarHBondContact O-CD 3.3Å; L1457-A1536 HydrophobicContact CD2-CB 4.14Å; L1457-A1537 HydrophobicContact CD2-CB 4.11Å; L1457-V1696 HydrophobicContact CB-CG1 4.45Å; L1457-V1696 VanDerWaalsContact O-CG1 3.3Å; L1457-V1696 WeakPolarHBondContact O-CG1 3.44Å; L1457-I1703 HydrophobicContact CD1-CD1 3.53Å |
| 1458 | D | 73.8 | Confident | 72.8 | Confident | 77 Ų | 77 | 47.8 Ų | 47.8 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -65.6 | -27.9 | 176 | -70.2 | -23.4 | 0 | 0 | 0 | 112.8 | Y1454 H1455 H1700 | Y1454-D1458 PolarHBondContact O-N 3.09Å; H1455-D1458 IonicContact ND1-OD2 2.94Å; D1458-H1700 IonicContact OD1-CE1 3.88Å; D1458-H1700 PolarHBondContact OD1-CE1 3.17Å; D1458-H1700 IonicContact OD1-NE2 2.68Å |
| 1459 | Y | 69.3 | Low | 73.3 | Confident | 92 Ų | 92 | 46.4 Ų | 46.4 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | trans | -139.4 | 66.6 | -175.2 | -55.3 | -86.3 | 0 | 0 | 0 | 113.1 | K1342 L1457 D1461 | K1342-Y1459 WeakPolarHBondContact CE-OH 3.5Å; L1457-Y1459 VanDerWaalsContact C-N 3.27Å; L1457-Y1459 PolarHBondContact O-N 3.38Å; Y1459-D1461 PolarHBondContact O-N 2.96Å | ||
| 1460 | P | 70.9 | Confident | 73.6 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | trans | -77.9 | 48.8 | 180 | 36.9 | -37.5 | 0 | 0 | 0 | 111.8 | L1457 A1540 I1684 Q1692 V1696 | L1457-P1460 WeakPolarHBondContact O-CD 3.3Å; P1460-A1540 HydrophobicContact CB-CB 3.9Å; P1460-A1540 HydrophobicContact CG-CB 4.35Å; P1460-I1684 WeakPolarHBondContact O-CD1 3.46Å; P1460-Q1692 PolarHBondContact O-NE2 2.68Å; P1460-V1696 HydrophobicContact CG-CG2 3.96Å | ||
| 1461 | D | 70.4 | Confident | 73.7 | Confident | 35 Ų | 35 | 50 Ų | 50 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | trans | -95 | -1.1 | -178.8 | -65.2 | -53.3 | 0 | 0 | 0 | 112.7 | Y1459 Y1541 S1682 R1689 | Y1459-D1461 PolarHBondContact O-N 2.96Å; D1461-Y1541 WeakPolarHBondContact O-CE2 3.45Å; D1461-S1682 PolarHBondContact O-OG 3.44Å; D1461-R1689 VanDerWaalsContact CG-NH2 3.33Å; D1461-R1689 IonicContact OD1-CZ 3.71Å; D1461-R1689 IonicContact OD1-NE 3.86Å; D1461-R1689 IonicContact OD1-NH2 2.8Å; D1461-R1689 PolarHBondContact OD1-NH2 3Å; D1461-R1689 IonicContact OD2-NH2 3.4Å; D1461-R1689 PolarHBondContact OD2-NH2 2.9Å | ||
| 1462 | Q | 66 | Low | 73.6 | Confident | 48 Ų | 48 | 45 Ų | 45 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -143.5 | 156.6 | -176.6 | -65.3 | -176.1 | -38.2 | 0 | 0 | 111.7 | V1409 V1464 Y1541 | V1409-Q1462 PolarHBondContact O-NE2 3.46Å; Q1462-V1464 PolarHBondContact O-N 2.69Å; Q1462-Y1541 VanDerWaalsContact CA-CE2 3.44Å; Q1462-Y1541 VanDerWaalsContact N-CD2 3.26Å; Q1462-Y1541 WeakPolarHBondContact O-CD2 3.46Å |
| 1463 | H | 67.5 | Low | 74.2 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 41% | 0.407 | 22% | 0.22 | S | C | . | . | trans | -61.1 | 132 | 170.5 | -71 | -86 | 0 | 0 | 0 | 111.1 | Q1538 Y1541 | H1463-Q1538 PolarHBondContact ND1-NE2 3.01Å; H1463-Y1541 HydrophobicContact CB-CE1 4.48Å; H1463-Y1541 AromaticContact CD2-CE1 3.45Å; H1463-Y1541 VanDerWaalsContact CD2-CE1 3.45Å; H1463-Y1541 WeakPolarHBondContact CD2-CE1 3.42Å; H1463-Y1541 AromaticContact CD2-CZ 3.66Å; H1463-Y1541 PolarHBondContact CD2-OH 3.42Å; H1463-Y1541 AromaticContact CE1-CE1 3.34Å; H1463-Y1541 WeakPolarHBondContact CE1-CE1 3.32Å; H1463-Y1541 AromaticContact CG-CD1 3.97Å; H1463-Y1541 AromaticContact CG-CE1 3.51Å; H1463-Y1541 AromaticContact ND1-CD1 3.73Å; H1463-Y1541 AromaticContact ND1-CE1 3.43Å; H1463-Y1541 WeakPolarHBondContact ND1-CE1 3.34Å; H1463-Y1541 AromaticContact NE2-CE1 3.32Å; H1463-Y1541 VanDerWaalsContact NE2-CE1 3.32Å; H1463-Y1541 WeakPolarHBondContact NE2-CE1 3.43Å; H1463-Y1541 AromaticContact NE2-CZ 3.79Å; H1463-Y1541 PolarHBondContact NE2-OH 3.25Å | ||
| 1464 | V | 67.9 | Low | 74.3 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 21% | 0.212 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -95.1 | -35.4 | 175 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | L1456 Q1462 E1534 A1537 | L1456-V1464 HydrophobicContact CD1-CG1 4.29Å; Q1462-V1464 PolarHBondContact O-N 2.69Å; V1464-E1534 HydrophobicContact CG1-CB 4.14Å; V1464-E1534 HydrophobicContact CG1-CG 4.24Å; V1464-A1537 HydrophobicContact CG2-CB 3.84Å |
| 1465 | N | 71.2 | Confident | 74.1 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 15% | 0.15 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -146.4 | -176.7 | -179.8 | 58.9 | 54.1 | 0 | 0 | 0 | 110.7 | Y1467 Q1538 | N1465-Y1467 HydrophobicContact CB-CD2 4.18Å; N1465-Y1467 HydrophobicContact CB-CE2 4.41Å; N1465-Y1467 VanDerWaalsContact OD1-CB 3.31Å; N1465-Y1467 WeakPolarHBondContact OD1-CB 3.48Å; N1465-Y1467 WeakPolarHBondContact OD1-CD2 3.33Å; N1465-Y1467 PolarHBondContact OD1-N 3.33Å; N1465-Q1538 VanDerWaalsContact N-OE1 3.08Å; N1465-Q1538 VanDerWaalsContact O-CD 3.27Å; N1465-Q1538 PolarHBondContact O-NE2 2.83Å; N1465-Q1538 PolarHBondContact O-OE1 3.08Å; N1465-Q1538 WeakPolarHBondContact OD1-CG 3.5Å; N1465-Q1538 PolarHBondContact OD1-NE2 3.03Å |
| 1466 | N | 69.3 | Low | 74.3 | Confident | 127 Ų | 127 | 43.7 Ų | 43.7 | 68% | 0.679 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -96.3 | 12.5 | -179.2 | -64.9 | -8.7 | 0 | 0 | 0 | 113.4 | ||
| 1467 | Y | 72.7 | Confident | 74.2 | Confident | 86 Ų | 86 | 43.1 Ų | 43.1 | 34% | 0.337 | 21% | 0.213 | S | C | . | . | trans | -74.7 | 132.2 | 178.9 | -58 | -47.3 | 0 | 0 | 0 | 110.6 | N1465 E1471 M1475 T1535 Q1538 | N1465-Y1467 HydrophobicContact CB-CD2 4.18Å; N1465-Y1467 HydrophobicContact CB-CE2 4.41Å; N1465-Y1467 VanDerWaalsContact OD1-CB 3.31Å; N1465-Y1467 WeakPolarHBondContact OD1-CB 3.48Å; N1465-Y1467 WeakPolarHBondContact OD1-CD2 3.33Å; N1465-Y1467 PolarHBondContact OD1-N 3.33Å; Y1467-E1471 HydrophobicContact CD1-CB 4.21Å; Y1467-E1471 HydrophobicContact CG-CB 4.35Å; Y1467-M1475 HydrophobicContact CD2-CG 4.38Å; Y1467-M1475 HydrophobicContact CE1-CG 4.35Å; Y1467-M1475 HydrophobicContact CE2-CG 4.15Å; Y1467-T1535 HydrophobicContact CD2-CG2 4.02Å; Y1467-T1535 HydrophobicContact CE2-CG2 4.05Å; Y1467-Q1538 PolarHBondContact O-NE2 2.94Å | ||
| 1468 | S | 76.9 | Confident | 73.6 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 12% | 0.119 | 23% | 0.225 | C | C | . | . | trans | -67.1 | 170.1 | 165.6 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | F1470 E1471 C1472 | S1468-F1470 VanDerWaalsContact C-N 3.32Å; S1468-F1470 PolarHBondContact O-N 2.89Å; S1468-E1471 WeakPolarHBondContact CB-OE2 3.44Å; S1468-E1471 PolarHBondContact N-OE2 3.02Å; S1468-E1471 PolarHBondContact O-N 2.86Å; S1468-E1471 VanDerWaalsContact OG-CD 3.3Å; S1468-E1471 VanDerWaalsContact OG-CG 3.32Å; S1468-E1471 WeakPolarHBondContact OG-CG 3.42Å; S1468-E1471 PolarHBondContact OG-N 3.43Å; S1468-E1471 PolarHBondContact OG-OE2 3.33Å; S1468-C1472 PolarHBondContact O-N 3.22Å; S1468-C1472 PolarHBondContact O-SG 2.96Å | ||
| 1469 | Y | 83.4 | Confident | 73.3 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.4 | -42.7 | 179.7 | 168.9 | -95 | 0 | 0 | 0 | 113 | C1472 L1473 V1543 I1747 A1751 P1752 A1820 | Y1469-C1472 WeakPolarHBondContact O-CB 3.44Å; Y1469-C1472 PolarHBondContact O-N 3.43Å; Y1469-L1473 PolarHBondContact O-N 3.18Å; Y1469-V1543 HydrophobicContact CD2-CG2 4.47Å; Y1469-V1543 HydrophobicContact CE2-CG2 4.34Å; Y1469-I1747 HydrophobicContact CE2-CG2 3.75Å; Y1469-I1747 PolarHBondContact OH-O 2.85Å; Y1469-A1751 HydrophobicContact CE1-CB 4.44Å; Y1469-A1751 WeakPolarHBondContact OH-CA 3.42Å; Y1469-P1752 HydrophobicContact CD1-CG 4.31Å; Y1469-P1752 HydrophobicContact CD2-CG 4.18Å; Y1469-P1752 HydrophobicContact CG-CG 4.07Å; Y1469-A1820 HydrophobicContact CD1-CB 4.15Å; Y1469-A1820 HydrophobicContact CG-CB 4.42Å |
| 1470 | F | 81.4 | Confident | 73 | Confident | 35 Ų | 35 | 42.6 Ų | 42.6 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.2 | -34.5 | 177.9 | -72.5 | -79.6 | 0 | 0 | 0 | 112.9 | S1468 C1472 L1473 D1474 A1820 A1879 N1881 | S1468-F1470 VanDerWaalsContact C-N 3.32Å; S1468-F1470 PolarHBondContact O-N 2.89Å; F1470-C1472 VanDerWaalsContact C-N 3.34Å; F1470-L1473 PolarHBondContact O-N 3.41Å; F1470-D1474 WeakPolarHBondContact O-CB 3.24Å; F1470-D1474 PolarHBondContact O-N 2.95Å; F1470-A1820 HydrophobicContact CD2-CB 4.3Å; F1470-A1820 HydrophobicContact CE2-CB 3.85Å; F1470-A1879 HydrophobicContact CE2-CB 4.49Å; F1470-A1879 VanDerWaalsContact CE2-O 3.24Å; F1470-A1879 WeakPolarHBondContact CE2-O 3.47Å; F1470-A1879 HydrophobicContact CZ-CB 3.89Å; F1470-N1881 HydrophobicContact CD1-CB 4.15Å; F1470-N1881 HydrophobicContact CD2-CB 3.83Å; F1470-N1881 HydrophobicContact CE1-CB 4.1Å; F1470-N1881 HydrophobicContact CE2-CB 3.78Å; F1470-N1881 HydrophobicContact CG-CB 4.03Å; F1470-N1881 HydrophobicContact CZ-CB 3.92Å |
| 1471 | E | 80.8 | Confident | 72.3 | Confident | 79 Ų | 79 | 48 Ų | 48 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.1 | -36.2 | 172.5 | -71.1 | 166.8 | 134.2 | 0 | 0 | 111.6 | Y1467 S1468 D1474 M1475 | Y1467-E1471 HydrophobicContact CD1-CB 4.21Å; Y1467-E1471 HydrophobicContact CG-CB 4.35Å; S1468-E1471 WeakPolarHBondContact CB-OE2 3.44Å; S1468-E1471 PolarHBondContact N-OE2 3.02Å; S1468-E1471 PolarHBondContact O-N 2.86Å; S1468-E1471 VanDerWaalsContact OG-CD 3.3Å; S1468-E1471 VanDerWaalsContact OG-CG 3.32Å; S1468-E1471 WeakPolarHBondContact OG-CG 3.42Å; S1468-E1471 PolarHBondContact OG-N 3.43Å; S1468-E1471 PolarHBondContact OG-OE2 3.33Å; E1471-D1474 PolarHBondContact O-N 3.34Å; E1471-M1475 WeakPolarHBondContact O-CB 3.49Å; E1471-M1475 VanDerWaalsContact O-CG 3.24Å; E1471-M1475 WeakPolarHBondContact O-CG 3.31Å; E1471-M1475 PolarHBondContact O-N 2.73Å |
| 1472 | C | 79.3 | Confident | 70.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 170.8 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | S1468 Y1469 F1470 V1476 Q1538 A1539 | S1468-C1472 PolarHBondContact O-N 3.22Å; S1468-C1472 PolarHBondContact O-SG 2.96Å; Y1469-C1472 WeakPolarHBondContact O-CB 3.44Å; Y1469-C1472 PolarHBondContact O-N 3.43Å; F1470-C1472 VanDerWaalsContact C-N 3.34Å; C1472-V1476 WeakPolarHBondContact O-CB 3.03Å; C1472-V1476 VanDerWaalsContact O-CG2 3.22Å; C1472-V1476 WeakPolarHBondContact O-CG2 3.5Å; C1472-V1476 PolarHBondContact O-N 2.8Å; C1472-Q1538 WeakPolarHBondContact SG-CG 3.49Å; C1472-A1539 HydrophobicContact CB-CB 4.17Å |
| 1473 | L | 81.5 | Confident | 69.1 | Low | 37 Ų | 37 | 59.4 Ų | 59.4 | 19% | 0.194 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 176.5 | -179 | 63.5 | 0 | 0 | 0 | 111.5 | Y1469 F1470 T1477 I1747 | Y1469-L1473 PolarHBondContact O-N 3.18Å; F1470-L1473 PolarHBondContact O-N 3.41Å; L1473-T1477 HydrophobicContact CD1-CG2 4.45Å; L1473-T1477 VanDerWaalsContact O-CG2 3.24Å; L1473-T1477 WeakPolarHBondContact O-CG2 3.49Å; L1473-T1477 PolarHBondContact O-N 3.31Å; L1473-T1477 PolarHBondContact O-OG1 3.36Å; L1473-I1747 HydrophobicContact CB-CG2 4.46Å; L1473-I1747 HydrophobicContact CD1-CG2 4.12Å |
| 1474 | D | 78.4 | Confident | 67.3 | Low | 55 Ų | 55 | 60.1 Ų | 60.1 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62 | -51.3 | 177.2 | -80 | -39 | 0 | 0 | 0 | 111.1 | F1470 E1471 V1476 T1477 E1478 K1883 | F1470-D1474 WeakPolarHBondContact O-CB 3.24Å; F1470-D1474 PolarHBondContact O-N 2.95Å; E1471-D1474 PolarHBondContact O-N 3.34Å; D1474-V1476 PolarHBondContact O-N 3.19Å; D1474-T1477 CarbonylContact O-C 3.6Å; D1474-T1477 WeakPolarHBondContact O-CA 3.44Å; D1474-T1477 PolarHBondContact O-N 3.13Å; D1474-T1477 PolarHBondContact O-OG1 3.45Å; D1474-E1478 WeakPolarHBondContact O-CB 3.49Å; D1474-E1478 PolarHBondContact O-N 3.43Å; D1474-K1883 IonicContact OD1-NZ 2.82Å; D1474-K1883 WeakPolarHBondContact OD2-CE 3.13Å; D1474-K1883 IonicContact OD2-NZ 2.81Å; D1474-K1883 PolarHBondContact OD2-NZ 3.45Å |
| 1475 | M | 73.8 | Confident | 65.5 | Low | 31 Ų | 31 | 65.9 Ų | 65.9 | 15% | 0.153 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 178 | -72.1 | -55.2 | -48.7 | 0 | 0 | 112.1 | Y1467 E1471 T1477 E1478 Y1479 T1535 | Y1467-M1475 HydrophobicContact CD2-CG 4.38Å; Y1467-M1475 HydrophobicContact CE1-CG 4.35Å; Y1467-M1475 HydrophobicContact CE2-CG 4.15Å; E1471-M1475 WeakPolarHBondContact O-CB 3.49Å; E1471-M1475 VanDerWaalsContact O-CG 3.24Å; E1471-M1475 WeakPolarHBondContact O-CG 3.31Å; E1471-M1475 PolarHBondContact O-N 2.73Å; M1475-T1477 PolarHBondContact O-N 2.85Å; M1475-E1478 PolarHBondContact O-N 2.98Å; M1475-E1478 VanDerWaalsContact O-N 3.11Å; M1475-Y1479 HydrophobicContact CB-CE2 4.29Å; M1475-Y1479 HydrophobicContact CE-CD2 4.31Å; M1475-Y1479 HydrophobicContact CE-CE1 4.38Å; M1475-Y1479 HydrophobicContact CE-CE2 3.55Å; M1475-Y1479 WeakPolarHBondContact O-CD2 3.49Å; M1475-Y1479 PolarHBondContact O-N 2.93Å; M1475-T1535 HydrophobicContact CB-CG2 3.91Å |
| 1476 | V | 73.9 | Confident | 63.5 | Low | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.3 | -36.6 | 174.5 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | C1472 D1474 S1480 L1532 T1535 L1743 I1744 I1747 | C1472-V1476 WeakPolarHBondContact O-CB 3.03Å; C1472-V1476 VanDerWaalsContact O-CG2 3.22Å; C1472-V1476 WeakPolarHBondContact O-CG2 3.5Å; C1472-V1476 PolarHBondContact O-N 2.8Å; D1474-V1476 PolarHBondContact O-N 3.19Å; V1476-S1480 WeakPolarHBondContact O-CB 3.37Å; V1476-S1480 PolarHBondContact O-OG 2.96Å; V1476-L1532 HydrophobicContact CB-CD2 4.28Å; V1476-L1532 HydrophobicContact CG1-CD2 4.04Å; V1476-L1532 HydrophobicContact CG2-CD2 4.25Å; V1476-T1535 WeakPolarHBondContact CG2-OG1 3.48Å; V1476-L1743 HydrophobicContact CG1-CD2 4.1Å; V1476-L1743 HydrophobicContact CG1-CG 4.36Å; V1476-I1744 HydrophobicContact CG1-CG1 3.74Å; V1476-I1747 HydrophobicContact CG1-CD1 4.45Å; V1476-I1747 HydrophobicContact CG2-CD1 4.11Å |
| 1477 | T | 72.7 | Confident | 61.5 | Low | 16 Ų | 16 | 69.4 Ų | 69.4 | 10% | 0.098 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -75.9 | -33.3 | 174.2 | 75.6 | 0 | 0 | 0 | 0 | 114 | L1473 D1474 M1475 S1480 K1481 I1744 | L1473-T1477 HydrophobicContact CD1-CG2 4.45Å; L1473-T1477 VanDerWaalsContact O-CG2 3.24Å; L1473-T1477 WeakPolarHBondContact O-CG2 3.49Å; L1473-T1477 PolarHBondContact O-N 3.31Å; L1473-T1477 PolarHBondContact O-OG1 3.36Å; D1474-T1477 CarbonylContact O-C 3.6Å; D1474-T1477 WeakPolarHBondContact O-CA 3.44Å; D1474-T1477 PolarHBondContact O-N 3.13Å; D1474-T1477 PolarHBondContact O-OG1 3.45Å; M1475-T1477 PolarHBondContact O-N 2.85Å; T1477-S1480 WeakPolarHBondContact CA-OG 3.44Å; T1477-S1480 CarbonylContact O-C 3.55Å; T1477-S1480 WeakPolarHBondContact O-CA 3.44Å; T1477-S1480 PolarHBondContact O-N 3.41Å; T1477-S1480 PolarHBondContact O-OG 3.48Å; T1477-K1481 VanDerWaalsContact CB-NZ 3.25Å; T1477-K1481 VanDerWaalsContact O-CB 3.31Å; T1477-K1481 WeakPolarHBondContact O-CB 3.36Å; T1477-K1481 WeakPolarHBondContact O-CG 3.48Å; T1477-K1481 PolarHBondContact O-N 3.05Å; T1477-K1481 PolarHBondContact OG1-NZ 2.97Å; T1477-K1481 VanDerWaalsContact OG1-NZ 3.11Å; T1477-I1744 HydrophobicContact CG2-CD1 4.41Å |
| 1478 | E | 65.6 | Low | 59.5 | Low | 59 Ų | 59 | 72.3 Ų | 72.3 | 28% | 0.276 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64 | -46 | 177 | -170.9 | 175.2 | 168.6 | 0 | 0 | 110.8 | D1474 M1475 S1480 L1496 | D1474-E1478 WeakPolarHBondContact O-CB 3.49Å; D1474-E1478 PolarHBondContact O-N 3.43Å; M1475-E1478 PolarHBondContact O-N 2.98Å; M1475-E1478 VanDerWaalsContact O-N 3.11Å; E1478-S1480 PolarHBondContact O-N 3.26Å; E1478-L1496 HydrophobicContact CG-CD1 4.37Å; E1478-L1496 HydrophobicContact CG-CD2 3.83Å; E1478-L1496 HydrophobicContact CG-CG 3.86Å |
| 1479 | Y | 67.4 | Low | 57.4 | Low | 53 Ų | 53 | 81.9 Ų | 81.9 | 21% | 0.208 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -10.7 | 171.5 | -67.8 | -56.4 | 0 | 0 | 0 | 113.7 | M1475 L1499 A1528 L1532 T1535 | M1475-Y1479 HydrophobicContact CB-CE2 4.29Å; M1475-Y1479 HydrophobicContact CE-CD2 4.31Å; M1475-Y1479 HydrophobicContact CE-CE1 4.38Å; M1475-Y1479 HydrophobicContact CE-CE2 3.55Å; M1475-Y1479 WeakPolarHBondContact O-CD2 3.49Å; M1475-Y1479 PolarHBondContact O-N 2.93Å; Y1479-L1499 WeakPolarHBondContact O-CB 3.37Å; Y1479-A1528 HydrophobicContact CD1-CB 4.39Å; Y1479-L1532 HydrophobicContact CD2-CD2 4.09Å; Y1479-L1532 HydrophobicContact CD2-CG 4.07Å; Y1479-L1532 HydrophobicContact CG-CD2 4.31Å; Y1479-L1532 HydrophobicContact CG-CG 4.1Å; Y1479-T1535 HydrophobicContact CE2-CG2 4.42Å |
| 1480 | S | 63 | Low | 54.9 | Low | 47 Ų | 47 | 87.1 Ų | 87.1 | 33% | 0.329 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -18.8 | -174.5 | 79.7 | 0 | 0 | 0 | 0 | 116.7 | V1476 T1477 E1478 | V1476-S1480 WeakPolarHBondContact O-CB 3.37Å; V1476-S1480 PolarHBondContact O-OG 2.96Å; T1477-S1480 WeakPolarHBondContact CA-OG 3.44Å; T1477-S1480 CarbonylContact O-C 3.55Å; T1477-S1480 WeakPolarHBondContact O-CA 3.44Å; T1477-S1480 PolarHBondContact O-N 3.41Å; T1477-S1480 PolarHBondContact O-OG 3.48Å; E1478-S1480 PolarHBondContact O-N 3.26Å |
| 1481 | K | 55.9 | Low | 52.4 | Low | 126 Ų | 126 | 97.7 Ų | 97.7 | 55% | 0.548 | 50% | 0.499 | S | S | . | . | trans | -108.3 | 129.8 | -161.6 | -81.4 | 175.1 | -177.8 | 157.9 | 0 | 115.3 | T1477 | T1477-K1481 VanDerWaalsContact CB-NZ 3.25Å; T1477-K1481 VanDerWaalsContact O-CB 3.31Å; T1477-K1481 WeakPolarHBondContact O-CB 3.36Å; T1477-K1481 WeakPolarHBondContact O-CG 3.48Å; T1477-K1481 PolarHBondContact O-N 3.05Å; T1477-K1481 PolarHBondContact OG1-NZ 2.97Å; T1477-K1481 VanDerWaalsContact OG1-NZ 3.11Å | ||
| 1482 | V | 36.6 | Very low | 50.1 | Low | 121 Ų | 121 | 101.9 Ų | 101.9 | 73% | 0.733 | 52% | 0.516 | S | S | * | . | trans | -110.4 | 99.4 | 163.5 | 174.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1483 | K | 33.1 | Very low | 47.9 | Very low | 202 Ų | 202 | 106.8 Ų | 106.8 | 88% | 0.878 | 55% | 0.551 | S | S | * | * | trans | 179 | 105.2 | 154.4 | -109.4 | 175 | 176.3 | -179.1 | 0 | 116.8 | ||||
| 1484 | S | 27.9 | Very low | 45.5 | Very low | 102 Ų | 102 | 109 Ų | 109 | 71% | 0.713 | 57% | 0.574 | S | S | * | * | trans | 30.4 | 106.3 | 132.3 | -170.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1485 | L | 30.6 | Very low | 43.5 | Very low | 156 Ų | 156 | 109 Ų | 109 | 82% | 0.817 | 58% | 0.579 | S | S | * | * | 168.5 | 126.2 | 115.5 | -93.1 | 162 | 0 | 0 | 0 | 114.9 | |||||
| 1486 | C | 28.8 | Very low | 41.6 | Very low | 109 Ų | 109 | 112 Ų | 112 | 74% | 0.736 | 60% | 0.595 | S | S | * | * | trans | 31.5 | 139.1 | 151.1 | -75.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1487 | T | 27.8 | Very low | 40.3 | Very low | 121 Ų | 121 | 116.7 Ų | 116.7 | 74% | 0.742 | 62% | 0.617 | S | S | * | * | cis | -171.2 | 166.3 | -2.8 | 8.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1488 | I | 30.2 | Very low | 39.5 | Very low | 147 Ų | 147 | 117.5 Ų | 117.5 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 101.4 | 134.4 | 169.5 | -51.5 | 169.3 | 0 | 0 | 0 | 115 | ||
| 1489 | Y | 34.6 | Very low | 39.6 | Very low | 217 Ų | 217 | 115.1 Ų | 115.1 | 85% | 0.851 | 61% | 0.61 | S | S | * | * | trans | 75.9 | 84.6 | -173.1 | -59.6 | -68.3 | 0 | 0 | 0 | 117.7 | W1491 | Y1489-W1491 PolarHBondContact O-N 3.22Å; Y1489-W1491 VanDerWaalsContact O-N 3.17Å | ||
| 1490 | S | 30.7 | Very low | 39.6 | Very low | 117 Ų | 117 | 114.4 Ų | 114.4 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 36.4 | -167.5 | 68.7 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1491 | W | 28.4 | Very low | 39.9 | Very low | 257 Ų | 257 | 116.5 Ų | 116.5 | 97% | 0.973 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.1 | -3.4 | -179.5 | -136.9 | 64.3 | 0 | 0 | 0 | 114.9 | Y1489 | Y1489-W1491 PolarHBondContact O-N 3.22Å; Y1489-W1491 VanDerWaalsContact O-N 3.17Å |
| 1492 | F | 31.7 | Very low | 40.7 | Very low | 166 Ų | 166 | 110.5 Ų | 110.5 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -109.2 | -0.6 | -175.9 | -148.8 | -102.1 | 0 | 0 | 0 | 113.9 | A1494 | F1492-A1494 PolarHBondContact O-N 3.18Š|
| 1493 | S | 32.9 | Very low | 42.7 | Very low | 104 Ų | 104 | 106.2 Ų | 106.2 | 73% | 0.727 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 27.1 | -163.9 | 74.1 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1494 | A | 31.8 | Very low | 44.9 | Very low | 82 Ų | 82 | 100.4 Ų | 100.4 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -8.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | F1492 | F1492-A1494 PolarHBondContact O-N 3.18Š|
| 1495 | S | 35.7 | Very low | 47.3 | Very low | 57 Ų | 57 | 95.8 Ų | 95.8 | 40% | 0.399 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -102.3 | -10.9 | -174 | -149.3 | 0 | 0 | 0 | 0 | 114.8 | Q1497 N1498 | S1495-Q1497 VanDerWaalsContact C-N 3.27Å; S1495-Q1497 PolarHBondContact O-N 3.23Å; S1495-N1498 PolarHBondContact O-ND2 3.39Å; S1495-N1498 VanDerWaalsContact O-ND2 3.14Å; S1495-N1498 PolarHBondContact O-OD1 2.99Å; S1495-N1498 PolarHBondContact OG-ND2 2.94Å |
| 1496 | L | 34.2 | Very low | 49.7 | Very low | 93 Ų | 93 | 88.4 Ų | 88.4 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 5.1 | -170.7 | -102.3 | 139.3 | 0 | 0 | 0 | 115 | E1478 | E1478-L1496 HydrophobicContact CG-CD1 4.37Å; E1478-L1496 HydrophobicContact CG-CD2 3.83Å; E1478-L1496 HydrophobicContact CG-CG 3.86Å |
| 1497 | Q | 46.2 | Very low | 52 | Low | 98 Ų | 98 | 84.7 Ų | 84.7 | 46% | 0.458 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -14.9 | 177.1 | -68.8 | -174.6 | -79.5 | 0 | 0 | 112.4 | S1495 E1501 | S1495-Q1497 VanDerWaalsContact C-N 3.27Å; S1495-Q1497 PolarHBondContact O-N 3.23Å; Q1497-E1501 HydrophobicContact CB-CB 4.39Å; Q1497-E1501 HydrophobicContact CB-CG 4.12Å; Q1497-E1501 WeakPolarHBondContact CG-OE1 3.38Å; Q1497-E1501 PolarHBondContact NE2-OE1 2.8Å; Q1497-E1501 PolarHBondContact NE2-OE2 3.03Å; Q1497-E1501 WeakPolarHBondContact O-CB 3.27Å; Q1497-E1501 WeakPolarHBondContact O-CG 2.77Å; Q1497-E1501 PolarHBondContact O-N 2.75Å |
| 1498 | N | 56.1 | Low | 54.6 | Low | 33 Ų | 33 | 83.6 Ų | 83.6 | 18% | 0.176 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -69.4 | -51.2 | -141.5 | -66.1 | -1.1 | 0 | 0 | 0 | 117 | S1495 G1502 M1524 | S1495-N1498 PolarHBondContact O-ND2 3.39Å; S1495-N1498 VanDerWaalsContact O-ND2 3.14Å; S1495-N1498 PolarHBondContact O-OD1 2.99Å; S1495-N1498 PolarHBondContact OG-ND2 2.94Å; N1498-G1502 WeakPolarHBondContact O-CA 3.33Å; N1498-G1502 PolarHBondContact O-N 2.81Å; N1498-M1524 HydrophobicContact CB-CB 4.44Å; N1498-M1524 HydrophobicContact CB-CE 4.45Å |
| 1499 | L | 67.5 | Low | 57.2 | Low | 10 Ų | 10 | 79.1 Ų | 79.1 | 5% | 0.052 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -79.9 | -44.1 | -176.4 | -171.3 | 62.8 | 0 | 0 | 0 | 112.7 | Y1479 G1502 I1503 V1525 A1528 V1529 L1532 I1740 | Y1479-L1499 WeakPolarHBondContact O-CB 3.37Å; L1499-G1502 PolarHBondContact O-N 3.22Å; L1499-I1503 HydrophobicContact CD1-CD1 4.07Å; L1499-I1503 HydrophobicContact CD1-CG1 4.3Å; L1499-I1503 HydrophobicContact CG-CD1 4.05Å; L1499-I1503 VanDerWaalsContact O-CG1 3.32Å; L1499-I1503 WeakPolarHBondContact O-CG1 3.43Å; L1499-I1503 PolarHBondContact O-N 3.42Å; L1499-V1525 HydrophobicContact CD1-CB 4.41Å; L1499-V1525 HydrophobicContact CD1-CG1 4.11Å; L1499-V1525 HydrophobicContact CD1-CG2 4.25Å; L1499-A1528 HydrophobicContact CB-CB 3.89Å; L1499-A1528 HydrophobicContact CD1-CB 4.15Å; L1499-A1528 HydrophobicContact CG-CB 4.5Å; L1499-V1529 HydrophobicContact CD1-CG2 4.18Å; L1499-L1532 HydrophobicContact CD2-CD1 3.75Å; L1499-I1740 HydrophobicContact CD2-CD1 3.56Å |
| 1500 | G | 69 | Low | 59.2 | Low | 37 Ų | 37 | 69.1 Ų | 69.1 | 38% | 0.381 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.3 | -45.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1504 | G1500-S1504 VanDerWaalsContact O-CB 3.3Å; G1500-S1504 WeakPolarHBondContact O-CB 3.48Å; G1500-S1504 PolarHBondContact O-N 3.38Å; G1500-S1504 VanDerWaalsContact O-N 3.16Å; G1500-S1504 PolarHBondContact O-OG 2.88Å |
| 1501 | E | 67.5 | Low | 61.4 | Low | 92 Ų | 92 | 71.4 Ų | 71.4 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -76.3 | -26.1 | 171.3 | -57.4 | -171.7 | -172.3 | 0 | 0 | 111.9 | Q1497 G1505 | Q1497-E1501 HydrophobicContact CB-CB 4.39Å; Q1497-E1501 HydrophobicContact CB-CG 4.12Å; Q1497-E1501 WeakPolarHBondContact CG-OE1 3.38Å; Q1497-E1501 PolarHBondContact NE2-OE1 2.8Å; Q1497-E1501 PolarHBondContact NE2-OE2 3.03Å; Q1497-E1501 WeakPolarHBondContact O-CB 3.27Å; Q1497-E1501 WeakPolarHBondContact O-CG 2.77Å; Q1497-E1501 PolarHBondContact O-N 2.75Å; E1501-G1505 VanDerWaalsContact O-CA 3.25Å; E1501-G1505 WeakPolarHBondContact O-CA 3.43Å; E1501-G1505 PolarHBondContact O-N 3.2Å |
| 1502 | G | 72.9 | Confident | 63.8 | Low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.6 | -51.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1498 L1499 G1505 I1506 V1525 | N1498-G1502 WeakPolarHBondContact O-CA 3.33Å; N1498-G1502 PolarHBondContact O-N 2.81Å; L1499-G1502 PolarHBondContact O-N 3.22Å; G1502-G1505 PolarHBondContact O-N 3.34Å; G1502-I1506 WeakPolarHBondContact O-CB 3.48Å; G1502-I1506 VanDerWaalsContact O-CG1 3.29Å; G1502-I1506 WeakPolarHBondContact O-CG1 3.34Å; G1502-I1506 PolarHBondContact O-N 3.48Å; G1502-V1525 VanDerWaalsContact C-CG2 3.49Å |
| 1503 | I | 78.8 | Confident | 65.7 | Low | 31 Ų | 31 | 58.5 Ų | 58.5 | 16% | 0.159 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 175.8 | -66.6 | 169.7 | 0 | 0 | 0 | 110.7 | L1499 G1505 A1507 V1525 M1709 I1736 | L1499-I1503 HydrophobicContact CD1-CD1 4.07Å; L1499-I1503 HydrophobicContact CD1-CG1 4.3Å; L1499-I1503 HydrophobicContact CG-CD1 4.05Å; L1499-I1503 VanDerWaalsContact O-CG1 3.32Å; L1499-I1503 WeakPolarHBondContact O-CG1 3.43Å; L1499-I1503 PolarHBondContact O-N 3.42Å; I1503-G1505 VanDerWaalsContact C-N 3.33Å; I1503-G1505 PolarHBondContact O-N 3.18Å; I1503-A1507 PolarHBondContact O-N 2.94Å; I1503-V1525 HydrophobicContact CG1-CG2 4.16Å; I1503-M1709 HydrophobicContact CD1-SD 4.48Å; I1503-M1709 HydrophobicContact CG1-CE 3.94Å; I1503-M1709 HydrophobicContact CG1-SD 4.01Å; I1503-M1709 HydrophobicContact CG2-SD 4.26Å; I1503-I1736 HydrophobicContact CD1-CG2 4.4Å |
| 1504 | S | 79.8 | Confident | 68 | Low | 79 Ų | 79 | 58 Ų | 58 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.6 | -35.9 | 178.5 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | G1500 A1507 H1508 | G1500-S1504 VanDerWaalsContact O-CB 3.3Å; G1500-S1504 WeakPolarHBondContact O-CB 3.48Å; G1500-S1504 PolarHBondContact O-N 3.38Å; G1500-S1504 VanDerWaalsContact O-N 3.16Å; G1500-S1504 PolarHBondContact O-OG 2.88Å; S1504-A1507 PolarHBondContact O-N 3.02Å; S1504-H1508 VanDerWaalsContact O-CB 3.25Å; S1504-H1508 WeakPolarHBondContact O-CB 3.45Å; S1504-H1508 PolarHBondContact O-N 2.96Å |
| 1505 | G | 77.3 | Confident | 69.9 | Low | 5 Ų | 5 | 57.6 Ų | 57.6 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.9 | -44.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | E1501 G1502 I1503 A1507 H1508 Y1509 | E1501-G1505 VanDerWaalsContact O-CA 3.25Å; E1501-G1505 WeakPolarHBondContact O-CA 3.43Å; E1501-G1505 PolarHBondContact O-N 3.2Å; G1502-G1505 PolarHBondContact O-N 3.34Å; I1503-G1505 VanDerWaalsContact C-N 3.33Å; I1503-G1505 PolarHBondContact O-N 3.18Å; G1505-A1507 PolarHBondContact O-N 2.91Å; G1505-H1508 PolarHBondContact O-N 3.44Å; G1505-H1508 VanDerWaalsContact O-N 3.09Å; G1505-Y1509 WeakPolarHBondContact O-CB 3.49Å; G1505-Y1509 WeakPolarHBondContact O-CD2 3.34Å; G1505-Y1509 PolarHBondContact O-N 3.44Å |
| 1506 | I | 80.9 | Confident | 71.9 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -50.1 | -50.2 | 168.4 | -75.9 | 174 | 0 | 0 | 0 | 109.6 | G1502 A1510 F1518 V1522 V1525 M1709 S1713 L1729 | G1502-I1506 WeakPolarHBondContact O-CB 3.48Å; G1502-I1506 VanDerWaalsContact O-CG1 3.29Å; G1502-I1506 WeakPolarHBondContact O-CG1 3.34Å; G1502-I1506 PolarHBondContact O-N 3.48Å; I1506-A1510 WeakPolarHBondContact O-CB 3.36Å; I1506-A1510 PolarHBondContact O-N 3.3Å; I1506-A1510 VanDerWaalsContact O-N 3.09Å; I1506-F1518 HydrophobicContact CG2-CE2 4.08Å; I1506-V1522 HydrophobicContact CD1-CG2 4Å; I1506-V1522 HydrophobicContact CG1-CG2 3.99Å; I1506-V1525 HydrophobicContact CD1-CB 4.25Å; I1506-V1525 HydrophobicContact CD1-CG2 3.7Å; I1506-M1709 HydrophobicContact CD1-CE 4.47Å; I1506-S1713 VanDerWaalsContact CG2-OG 3.23Å; I1506-S1713 WeakPolarHBondContact CG2-OG 3.48Å; I1506-L1729 HydrophobicContact CG2-CD1 4.49Å |
| 1507 | A | 78.8 | Confident | 74.1 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 26% | 0.264 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.6 | -35.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1503 S1504 G1505 K1511 W1726 L1729 | I1503-A1507 PolarHBondContact O-N 2.94Å; S1504-A1507 PolarHBondContact O-N 3.02Å; G1505-A1507 PolarHBondContact O-N 2.91Å; A1507-K1511 VanDerWaalsContact O-CB 3.28Å; A1507-K1511 WeakPolarHBondContact O-CB 3.4Å; A1507-K1511 PolarHBondContact O-N 3.24Å; A1507-W1726 HydrophobicContact CB-CZ3 4.03Å; A1507-W1726 VanDerWaalsContact O-CH2 3.22Å; A1507-W1726 WeakPolarHBondContact O-CH2 3.38Å; A1507-L1729 HydrophobicContact CB-CD2 4.14Å |
| 1508 | H | 82.4 | Confident | 76 | Confident | 97 Ų | 97 | 52.9 Ų | 52.9 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73.8 | -52.6 | -178.5 | -168.1 | 77.4 | 0 | 0 | 0 | 112 | S1504 G1505 K1511 Q1512 | S1504-H1508 VanDerWaalsContact O-CB 3.25Å; S1504-H1508 WeakPolarHBondContact O-CB 3.45Å; S1504-H1508 PolarHBondContact O-N 2.96Å; G1505-H1508 PolarHBondContact O-N 3.44Å; G1505-H1508 VanDerWaalsContact O-N 3.09Å; H1508-K1511 WeakPolarHBondContact O-CB 3.37Å; H1508-K1511 PolarHBondContact O-N 3.36Å; H1508-Q1512 PolarHBondContact CD2-OE1 3.38Å; H1508-Q1512 VanDerWaalsContact CD2-OE1 3.31Å; H1508-Q1512 PolarHBondContact CE1-NE2 3.13Å; H1508-Q1512 PolarHBondContact NE2-NE2 2.92Å; H1508-Q1512 PolarHBondContact NE2-OE1 2.77Å; H1508-Q1512 PolarHBondContact O-N 3.39Å |
| 1509 | Y | 83.2 | Confident | 77.2 | Confident | 54 Ų | 54 | 51.9 Ų | 51.9 | 21% | 0.212 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.2 | -33 | -176 | -58.4 | -56.7 | 0 | 0 | 0 | 112.3 | G1505 K1511 Q1512 G1513 E1514 M1517 S1521 | G1505-Y1509 WeakPolarHBondContact O-CB 3.49Å; G1505-Y1509 WeakPolarHBondContact O-CD2 3.34Å; G1505-Y1509 PolarHBondContact O-N 3.44Å; Y1509-K1511 VanDerWaalsContact C-N 3.27Å; Y1509-K1511 PolarHBondContact O-N 2.96Å; Y1509-Q1512 PolarHBondContact O-N 3.12Å; Y1509-G1513 PolarHBondContact O-N 2.77Å; Y1509-E1514 HydrophobicContact CD1-CB 4.03Å; Y1509-E1514 PolarHBondContact O-N 2.99Å; Y1509-M1517 HydrophobicContact CD1-CB 3.44Å; Y1509-M1517 VanDerWaalsContact CD1-CB 3.44Å; Y1509-M1517 HydrophobicContact CD1-CG 4.14Å; Y1509-M1517 HydrophobicContact CD2-CB 3.55Å; Y1509-M1517 HydrophobicContact CE1-CB 3.57Å; Y1509-M1517 HydrophobicContact CE1-CE 4.41Å; Y1509-M1517 HydrophobicContact CE1-CG 3.95Å; Y1509-M1517 HydrophobicContact CE2-CB 3.7Å; Y1509-M1517 HydrophobicContact CE2-CE 4.26Å; Y1509-M1517 HydrophobicContact CG-CB 3.43Å; Y1509-M1517 VanDerWaalsContact CG-CB 3.43Å; Y1509-S1521 WeakPolarHBondContact CD2-OG 3.49Å |
| 1510 | A | 76.7 | Confident | 77.9 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 5% | 0.05 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112 | I1506 F1518 L1716 A1720 W1726 | I1506-A1510 WeakPolarHBondContact O-CB 3.36Å; I1506-A1510 PolarHBondContact O-N 3.3Å; I1506-A1510 VanDerWaalsContact O-N 3.09Å; A1510-F1518 HydrophobicContact CB-CD2 4Å; A1510-F1518 HydrophobicContact CB-CE2 4.17Å; A1510-L1716 HydrophobicContact CB-CB 4.41Å; A1510-A1720 VanDerWaalsContact O-CB 3.27Å; A1510-A1720 WeakPolarHBondContact O-CB 3.37Å; A1510-W1726 HydrophobicContact CB-CH2 4.2Å |
| 1511 | K | 77.8 | Confident | 78.6 | Confident | 166 Ų | 166 | 54.9 Ų | 54.9 | 72% | 0.722 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -73.9 | -31.2 | 176.4 | -172.9 | 176.2 | 180 | 179.3 | 0 | 113.1 | A1507 H1508 Y1509 W1726 | A1507-K1511 VanDerWaalsContact O-CB 3.28Å; A1507-K1511 WeakPolarHBondContact O-CB 3.4Å; A1507-K1511 PolarHBondContact O-N 3.24Å; H1508-K1511 WeakPolarHBondContact O-CB 3.37Å; H1508-K1511 PolarHBondContact O-N 3.36Å; Y1509-K1511 VanDerWaalsContact C-N 3.27Å; Y1509-K1511 PolarHBondContact O-N 2.96Å; K1511-W1726 HydrophobicContact CB-CH2 3.83Å; K1511-W1726 HydrophobicContact CB-CZ2 3.95Å; K1511-W1726 HydrophobicContact CG-CZ2 4.47Å |
| 1512 | Q | 78.2 | Confident | 79.5 | Confident | 102 Ų | 102 | 50.5 Ų | 50.5 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -84.9 | -21.1 | 176.3 | -74 | 174.9 | -21.9 | 0 | 0 | 113.7 | H1508 Y1509 E1514 | H1508-Q1512 PolarHBondContact CD2-OE1 3.38Å; H1508-Q1512 VanDerWaalsContact CD2-OE1 3.31Å; H1508-Q1512 PolarHBondContact CE1-NE2 3.13Å; H1508-Q1512 PolarHBondContact NE2-NE2 2.92Å; H1508-Q1512 PolarHBondContact NE2-OE1 2.77Å; H1508-Q1512 PolarHBondContact O-N 3.39Å; Y1509-Q1512 PolarHBondContact O-N 3.12Å; Q1512-E1514 HydrophobicContact CB-CG 4.19Å |
| 1513 | G | 72.2 | Confident | 79.9 | Confident | 50 Ų | 50 | 56.9 Ų | 56.9 | 52% | 0.515 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 13.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y1509 L1515 | Y1509-G1513 PolarHBondContact O-N 2.77Å; G1513-L1515 VanDerWaalsContact C-N 3.31Å; G1513-L1515 PolarHBondContact O-N 3.06Å |
| 1514 | E | 80.4 | Confident | 79.9 | Confident | 92 Ų | 92 | 57.2 Ų | 57.2 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | trans | -80.5 | 76.7 | 178.5 | -68.8 | -165.1 | 170.8 | 0 | 0 | 111.1 | Y1509 Q1512 S1516 M1517 F1518 | Y1509-E1514 HydrophobicContact CD1-CB 4.03Å; Y1509-E1514 PolarHBondContact O-N 2.99Å; Q1512-E1514 HydrophobicContact CB-CG 4.19Å; E1514-S1516 PolarHBondContact O-N 2.88Å; E1514-S1516 VanDerWaalsContact O-N 3.15Å; E1514-M1517 HydrophobicContact CB-CB 4.34Å; E1514-M1517 HydrophobicContact CB-CG 4.48Å; E1514-M1517 PolarHBondContact O-N 3.05Å; E1514-F1518 PolarHBondContact O-N 3.18Å | ||
| 1515 | L | 73.3 | Confident | 80.1 | Confident | 74 Ų | 74 | 53.4 Ų | 53.4 | 39% | 0.387 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.9 | -27.9 | -172.4 | -66.3 | 171.4 | 0 | 0 | 0 | 113.9 | W1439 G1513 C1519 A1717 | W1439-L1515 HydrophobicContact CB-CD2 4.45Å; W1439-L1515 HydrophobicContact CG-CD2 4.03Å; G1513-L1515 VanDerWaalsContact C-N 3.31Å; G1513-L1515 PolarHBondContact O-N 3.06Å; L1515-C1519 PolarHBondContact O-N 3.45Å; L1515-C1519 PolarHBondContact O-SG 3.06Å; L1515-A1717 HydrophobicContact CD2-CB 4.4Å |
| 1516 | S | 77.8 | Confident | 80.4 | Confident | 89 Ų | 89 | 53.3 Ų | 53.3 | 62% | 0.622 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -68.3 | -48.9 | 175.6 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | E1514 F1518 C1519 Q1520 | E1514-S1516 PolarHBondContact O-N 2.88Å; E1514-S1516 VanDerWaalsContact O-N 3.15Å; S1516-F1518 VanDerWaalsContact C-N 3.29Å; S1516-F1518 PolarHBondContact O-N 2.94Å; S1516-C1519 WeakPolarHBondContact O-CB 3.47Å; S1516-C1519 PolarHBondContact O-N 2.97Å; S1516-C1519 VanDerWaalsContact O-N 3.15Å; S1516-Q1520 PolarHBondContact O-N 2.82Å; S1516-Q1520 VanDerWaalsContact O-N 3.12Å |
| 1517 | M | 80.4 | Confident | 80.2 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 30% | 0.3 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.1 | -30.9 | 177.8 | -61.8 | -58.1 | -60.3 | 0 | 0 | 111.6 | Y1509 E1514 Q1520 S1521 | Y1509-M1517 HydrophobicContact CD1-CB 3.44Å; Y1509-M1517 VanDerWaalsContact CD1-CB 3.44Å; Y1509-M1517 HydrophobicContact CD1-CG 4.14Å; Y1509-M1517 HydrophobicContact CD2-CB 3.55Å; Y1509-M1517 HydrophobicContact CE1-CB 3.57Å; Y1509-M1517 HydrophobicContact CE1-CE 4.41Å; Y1509-M1517 HydrophobicContact CE1-CG 3.95Å; Y1509-M1517 HydrophobicContact CE2-CB 3.7Å; Y1509-M1517 HydrophobicContact CE2-CE 4.26Å; Y1509-M1517 HydrophobicContact CG-CB 3.43Å; Y1509-M1517 VanDerWaalsContact CG-CB 3.43Å; E1514-M1517 HydrophobicContact CB-CB 4.34Å; E1514-M1517 HydrophobicContact CB-CG 4.48Å; E1514-M1517 PolarHBondContact O-N 3.05Å; M1517-Q1520 PolarHBondContact O-N 3.29Å; M1517-S1521 WeakPolarHBondContact O-CB 3.47Å; M1517-S1521 PolarHBondContact O-N 3.26Å; M1517-S1521 PolarHBondContact O-OG 2.91Å |
| 1518 | F | 84.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 166.9 | 173.6 | -88.8 | 0 | 0 | 0 | 111.9 | W1439 I1506 A1510 E1514 S1516 Q1520 S1521 V1522 A1717 | W1439-F1518 HydrophobicContact CB-CD1 3.83Å; W1439-F1518 HydrophobicContact CB-CE1 3.97Å; W1439-F1518 HydrophobicContact CE3-CE1 4.42Å; I1506-F1518 HydrophobicContact CG2-CE2 4.08Å; A1510-F1518 HydrophobicContact CB-CD2 4Å; A1510-F1518 HydrophobicContact CB-CE2 4.17Å; E1514-F1518 PolarHBondContact O-N 3.18Å; S1516-F1518 VanDerWaalsContact C-N 3.29Å; S1516-F1518 PolarHBondContact O-N 2.94Å; F1518-Q1520 VanDerWaalsContact C-N 3.33Å; F1518-Q1520 PolarHBondContact O-N 3.34Å; F1518-S1521 PolarHBondContact O-N 3.38Å; F1518-V1522 HydrophobicContact CD1-CG2 4.19Å; F1518-V1522 HydrophobicContact CE1-CG2 3.77Å; F1518-V1522 HydrophobicContact CE2-CG2 4.29Å; F1518-V1522 HydrophobicContact CZ-CG2 3.83Å; F1518-V1522 WeakPolarHBondContact O-CG2 3.21Å; F1518-V1522 PolarHBondContact O-N 3.4Å; F1518-A1717 HydrophobicContact CE1-CB 4.08Å; F1518-A1717 HydrophobicContact CE2-CB 4.44Å; F1518-A1717 HydrophobicContact CZ-CB 3.93Å |
| 1519 | C | 82.1 | Confident | 80.2 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 8% | 0.081 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 175.5 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | W1439 E1442 L1515 S1516 S1521 V1522 R1523 | W1439-C1519 WeakPolarHBondContact CA-SG 3.36Å; W1439-C1519 PolarHBondContact N-SG 3.44Å; W1439-C1519 VanDerWaalsContact N-SG 3.42Å; E1442-C1519 HydrophobicContact CB-CB 4.26Å; E1442-C1519 HydrophobicContact CG-CB 4.03Å; L1515-C1519 PolarHBondContact O-N 3.45Å; L1515-C1519 PolarHBondContact O-SG 3.06Å; S1516-C1519 WeakPolarHBondContact O-CB 3.47Å; S1516-C1519 PolarHBondContact O-N 2.97Å; S1516-C1519 VanDerWaalsContact O-N 3.15Å; C1519-S1521 VanDerWaalsContact C-N 3.31Å; C1519-S1521 PolarHBondContact O-N 3.45Å; C1519-V1522 PolarHBondContact O-N 3.5Å; C1519-R1523 PolarHBondContact O-N 3.28Å |
| 1520 | Q | 81.9 | Confident | 80.1 | Confident | 104 Ų | 104 | 50 Ų | 50 | 49% | 0.486 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 178.4 | -172.9 | 172.5 | -2 | 0 | 0 | 111.7 | S1516 M1517 F1518 R1523 M1524 | S1516-Q1520 PolarHBondContact O-N 2.82Å; S1516-Q1520 VanDerWaalsContact O-N 3.12Å; M1517-Q1520 PolarHBondContact O-N 3.29Å; F1518-Q1520 VanDerWaalsContact C-N 3.33Å; F1518-Q1520 PolarHBondContact O-N 3.34Å; Q1520-R1523 PolarHBondContact O-N 3.01Å; Q1520-M1524 HydrophobicContact CG-SD 4.1Å; Q1520-M1524 VanDerWaalsContact O-CG 3.28Å; Q1520-M1524 WeakPolarHBondContact O-CG 3.25Å; Q1520-M1524 PolarHBondContact O-N 3.5Å |
| 1521 | S | 83.6 | Confident | 80.2 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 176.1 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | Y1509 M1517 F1518 C1519 M1524 V1525 | Y1509-S1521 WeakPolarHBondContact CD2-OG 3.49Å; M1517-S1521 WeakPolarHBondContact O-CB 3.47Å; M1517-S1521 PolarHBondContact O-N 3.26Å; M1517-S1521 PolarHBondContact O-OG 2.91Å; F1518-S1521 PolarHBondContact O-N 3.38Å; C1519-S1521 VanDerWaalsContact C-N 3.31Å; C1519-S1521 PolarHBondContact O-N 3.45Å; S1521-M1524 PolarHBondContact O-N 3.32Å; S1521-V1525 WeakPolarHBondContact O-CG2 3.37Å; S1521-V1525 PolarHBondContact O-N 2.86Å |
| 1522 | V | 86 | Confident | 80.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 174.4 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | E1442 A1446 I1506 F1518 C1519 V1525 S1526 I1710 | E1442-V1522 HydrophobicContact CB-CG1 4.49Å; E1442-V1522 HydrophobicContact CG-CB 4.43Å; E1442-V1522 HydrophobicContact CG-CG1 4.27Å; A1446-V1522 HydrophobicContact CB-CG1 3.84Å; I1506-V1522 HydrophobicContact CD1-CG2 4Å; I1506-V1522 HydrophobicContact CG1-CG2 3.99Å; F1518-V1522 HydrophobicContact CD1-CG2 4.19Å; F1518-V1522 HydrophobicContact CE1-CG2 3.77Å; F1518-V1522 HydrophobicContact CE2-CG2 4.29Å; F1518-V1522 HydrophobicContact CZ-CG2 3.83Å; F1518-V1522 WeakPolarHBondContact O-CG2 3.21Å; F1518-V1522 PolarHBondContact O-N 3.4Å; C1519-V1522 PolarHBondContact O-N 3.5Å; V1522-V1525 PolarHBondContact O-N 2.89Å; V1522-S1526 WeakPolarHBondContact O-CB 3.44Å; V1522-S1526 PolarHBondContact O-N 3.28Å; V1522-I1710 HydrophobicContact CG1-CD1 4.3Å |
| 1523 | R | 81.4 | Confident | 80.7 | Confident | 135 Ų | 135 | 37.4 Ų | 37.4 | 51% | 0.509 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.4 | -50.8 | 171.2 | -71.3 | -174 | -175.2 | 162.2 | 11.2 | 111.6 | E1442 C1519 Q1520 V1525 S1526 D1527 | E1442-R1523 HydrophobicContact CG-CG 3.83Å; E1442-R1523 WeakPolarHBondContact OE1-CG 3.48Å; E1442-R1523 IonicContact OE1-CZ 3.06Å; E1442-R1523 IonicContact OE1-NE 3.2Å; E1442-R1523 PolarHBondContact OE1-NE 2.93Å; E1442-R1523 IonicContact OE1-NH2 3.87Å; E1442-R1523 IonicContact OE2-CZ 3Å; E1442-R1523 VanDerWaalsContact OE2-CZ 3.27Å; E1442-R1523 IonicContact OE2-NE 3.3Å; E1442-R1523 PolarHBondContact OE2-NE 3.42Å; E1442-R1523 VanDerWaalsContact OE2-NE 3.09Å; E1442-R1523 IonicContact OE2-NH2 2.79Å; E1442-R1523 PolarHBondContact OE2-NH2 2.77Å; C1519-R1523 PolarHBondContact O-N 3.28Å; Q1520-R1523 PolarHBondContact O-N 3.01Å; R1523-V1525 VanDerWaalsContact C-N 3.26Å; R1523-V1525 PolarHBondContact O-N 2.98Å; R1523-S1526 WeakPolarHBondContact O-CA 3.41Å; R1523-S1526 WeakPolarHBondContact O-CB 3.48Å; R1523-S1526 PolarHBondContact O-N 3.06Å; R1523-D1527 VanDerWaalsContact O-CG 3.29Å; R1523-D1527 PolarHBondContact O-N 3.36Å |
| 1524 | M | 79.5 | Confident | 81 | Confident | 37 Ų | 37 | 37.6 Ų | 37.6 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -37 | -179.3 | -70.7 | 166.5 | 66.1 | 0 | 0 | 112.8 | N1498 Q1520 S1521 A1528 | N1498-M1524 HydrophobicContact CB-CB 4.44Å; N1498-M1524 HydrophobicContact CB-CE 4.45Å; Q1520-M1524 HydrophobicContact CG-SD 4.1Å; Q1520-M1524 VanDerWaalsContact O-CG 3.28Å; Q1520-M1524 WeakPolarHBondContact O-CG 3.25Å; Q1520-M1524 PolarHBondContact O-N 3.5Å; S1521-M1524 PolarHBondContact O-N 3.32Å; M1524-A1528 VanDerWaalsContact O-CB 3.25Å; M1524-A1528 WeakPolarHBondContact O-CB 3.42Å; M1524-A1528 PolarHBondContact O-N 3.29Å |
| 1525 | V | 83.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.3 | -45.2 | 171.4 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | M1450 L1499 G1502 I1503 I1506 S1521 V1522 R1523 A1528 V1529 M1709 | M1450-V1525 HydrophobicContact CE-CG1 4.07Å; L1499-V1525 HydrophobicContact CD1-CB 4.41Å; L1499-V1525 HydrophobicContact CD1-CG1 4.11Å; L1499-V1525 HydrophobicContact CD1-CG2 4.25Å; G1502-V1525 VanDerWaalsContact C-CG2 3.49Å; I1503-V1525 HydrophobicContact CG1-CG2 4.16Å; I1506-V1525 HydrophobicContact CD1-CB 4.25Å; I1506-V1525 HydrophobicContact CD1-CG2 3.7Å; S1521-V1525 WeakPolarHBondContact O-CG2 3.37Å; S1521-V1525 PolarHBondContact O-N 2.86Å; V1522-V1525 PolarHBondContact O-N 2.89Å; R1523-V1525 VanDerWaalsContact C-N 3.26Å; R1523-V1525 PolarHBondContact O-N 2.98Å; V1525-A1528 PolarHBondContact O-N 2.62Å; V1525-V1529 HydrophobicContact CG1-CG2 4.21Å; V1525-V1529 WeakPolarHBondContact O-CB 3.43Å; V1525-V1529 VanDerWaalsContact O-CG2 3.23Å; V1525-V1529 WeakPolarHBondContact O-CG2 3.24Å; V1525-V1529 PolarHBondContact O-N 2.91Å; V1525-M1709 HydrophobicContact CG1-CE 3.6Å; V1525-M1709 HydrophobicContact CG2-CE 4.44Å |
| 1526 | S | 82.8 | Confident | 81.8 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.1 | -52.5 | 177.7 | -173 | 0 | 0 | 0 | 0 | 112 | V1522 R1523 A1528 V1529 C1530 | V1522-S1526 WeakPolarHBondContact O-CB 3.44Å; V1522-S1526 PolarHBondContact O-N 3.28Å; R1523-S1526 WeakPolarHBondContact O-CA 3.41Å; R1523-S1526 WeakPolarHBondContact O-CB 3.48Å; R1523-S1526 PolarHBondContact O-N 3.06Å; S1526-A1528 VanDerWaalsContact C-N 3.34Å; S1526-A1528 PolarHBondContact O-N 3.16Å; S1526-V1529 PolarHBondContact O-N 3.37Å; S1526-C1530 PolarHBondContact O-N 3.14Å; S1526-C1530 PolarHBondContact O-SG 3.19Å; S1526-C1530 VanDerWaalsContact O-SG 3.34Å |
| 1527 | D | 77.6 | Confident | 82.1 | Confident | 97 Ų | 97 | 25.6 Ų | 25.6 | 52% | 0.519 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -65.4 | -39.7 | -175.7 | -60.2 | -21.9 | 0 | 0 | 0 | 111 | R1523 G1531 | R1523-D1527 VanDerWaalsContact O-CG 3.29Å; R1523-D1527 PolarHBondContact O-N 3.36Å; D1527-G1531 PolarHBondContact O-N 3.29Å |
| 1528 | A | 78.9 | Confident | 82.2 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1479 L1499 M1524 V1525 S1526 G1531 L1532 | Y1479-A1528 HydrophobicContact CD1-CB 4.39Å; L1499-A1528 HydrophobicContact CB-CB 3.89Å; L1499-A1528 HydrophobicContact CD1-CB 4.15Å; L1499-A1528 HydrophobicContact CG-CB 4.5Å; M1524-A1528 VanDerWaalsContact O-CB 3.25Å; M1524-A1528 WeakPolarHBondContact O-CB 3.42Å; M1524-A1528 PolarHBondContact O-N 3.29Å; V1525-A1528 PolarHBondContact O-N 2.62Å; S1526-A1528 VanDerWaalsContact C-N 3.34Å; S1526-A1528 PolarHBondContact O-N 3.16Å; A1528-G1531 PolarHBondContact O-N 2.98Å; A1528-L1532 WeakPolarHBondContact O-CB 3.48Å; A1528-L1532 WeakPolarHBondContact O-CG 3.43Å; A1528-L1532 PolarHBondContact O-N 3.27Å |
| 1529 | V | 82.9 | Confident | 82.2 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.2 | -38.9 | 176.3 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | M1450 L1499 V1525 S1526 L1532 G1533 I1703 S1706 | M1450-V1529 HydrophobicContact CE-CB 3.92Å; M1450-V1529 HydrophobicContact CE-CG1 4.11Å; M1450-V1529 HydrophobicContact CE-CG2 4Å; M1450-V1529 HydrophobicContact CG-CG1 4.07Å; M1450-V1529 HydrophobicContact SD-CG1 4.23Å; L1499-V1529 HydrophobicContact CD1-CG2 4.18Å; V1525-V1529 HydrophobicContact CG1-CG2 4.21Å; V1525-V1529 WeakPolarHBondContact O-CB 3.43Å; V1525-V1529 VanDerWaalsContact O-CG2 3.23Å; V1525-V1529 WeakPolarHBondContact O-CG2 3.24Å; V1525-V1529 PolarHBondContact O-N 2.91Å; S1526-V1529 PolarHBondContact O-N 3.37Å; V1529-L1532 PolarHBondContact O-N 3.46Å; V1529-G1533 PolarHBondContact O-N 3.17Å; V1529-I1703 HydrophobicContact CG1-CG1 4.39Å; V1529-S1706 WeakPolarHBondContact CG2-OG 3.43Å |
| 1530 | C | 80.7 | Confident | 82.4 | Confident | 17 Ų | 17 | 22.2 Ų | 22.2 | 12% | 0.115 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 172 | -70.8 | 0 | 0 | 0 | 0 | 111.6 | V1453 S1526 L1532 G1533 E1534 | V1453-C1530 HydrophobicContact CG2-CB 4.3Å; S1526-C1530 PolarHBondContact O-N 3.14Å; S1526-C1530 PolarHBondContact O-SG 3.19Å; S1526-C1530 VanDerWaalsContact O-SG 3.34Å; C1530-L1532 PolarHBondContact O-N 3.12Å; C1530-G1533 PolarHBondContact O-N 3.32Å; C1530-E1534 WeakPolarHBondContact O-CG 3.4Å; C1530-E1534 PolarHBondContact O-N 3.29Å |
| 1531 | G | 78.3 | Confident | 82.5 | Confident | 8 Ų | 8 | 17.5 Ų | 17.5 | 8% | 0.082 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | D1527 A1528 T1535 | D1527-G1531 PolarHBondContact O-N 3.29Å; A1528-G1531 PolarHBondContact O-N 2.98Å; G1531-T1535 WeakPolarHBondContact O-CB 3.49Å; G1531-T1535 WeakPolarHBondContact O-CG2 3.44Å; G1531-T1535 PolarHBondContact O-N 3.46Å; G1531-T1535 PolarHBondContact O-OG1 3.37Å |
| 1532 | L | 82.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.7 | -37.9 | 173.2 | -80.6 | 167.8 | 0 | 0 | 0 | 112.7 | V1476 Y1479 L1499 A1528 V1529 C1530 T1535 A1536 M1702 I1740 | V1476-L1532 HydrophobicContact CB-CD2 4.28Å; V1476-L1532 HydrophobicContact CG1-CD2 4.04Å; V1476-L1532 HydrophobicContact CG2-CD2 4.25Å; Y1479-L1532 HydrophobicContact CD2-CD2 4.09Å; Y1479-L1532 HydrophobicContact CD2-CG 4.07Å; Y1479-L1532 HydrophobicContact CG-CD2 4.31Å; Y1479-L1532 HydrophobicContact CG-CG 4.1Å; L1499-L1532 HydrophobicContact CD2-CD1 3.75Å; A1528-L1532 WeakPolarHBondContact O-CB 3.48Å; A1528-L1532 WeakPolarHBondContact O-CG 3.43Å; A1528-L1532 PolarHBondContact O-N 3.27Å; V1529-L1532 PolarHBondContact O-N 3.46Å; C1530-L1532 PolarHBondContact O-N 3.12Å; L1532-T1535 WeakPolarHBondContact CA-OG1 3.39Å; L1532-T1535 PolarHBondContact O-OG1 3.4Å; L1532-T1535 VanDerWaalsContact O-OG1 3.12Å; L1532-A1536 WeakPolarHBondContact O-CB 3.3Å; L1532-A1536 PolarHBondContact O-N 2.9Å; L1532-M1702 HydrophobicContact CB-CE 3.59Å; L1532-M1702 HydrophobicContact CB-SD 3.57Å; L1532-M1702 VanDerWaalsContact CB-SD 3.57Å; L1532-M1702 HydrophobicContact CD1-SD 3.82Å; L1532-M1702 HydrophobicContact CG-SD 4.21Å; L1532-I1740 HydrophobicContact CD1-CD1 4.11Å; L1532-I1740 HydrophobicContact CD1-CG1 4.43Å |
| 1533 | G | 83.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.2 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | V1529 C1530 A1536 A1537 | V1529-G1533 PolarHBondContact O-N 3.17Å; C1530-G1533 PolarHBondContact O-N 3.32Å; G1533-A1536 PolarHBondContact O-N 3.41Å; G1533-A1537 WeakPolarHBondContact O-CB 3.34Å; G1533-A1537 PolarHBondContact O-N 3.35Å |
| 1534 | E | 79.9 | Confident | 82.5 | Confident | 55 Ų | 55 | 11.3 Ų | 11.3 | 26% | 0.257 | 6% | 0.061 | S | C | . | . | H | α-helix | trans | -68.4 | -38.3 | 175.8 | -73.1 | 171.9 | -171.7 | 0 | 0 | 112.5 | R1420 L1456 V1464 C1530 Q1538 | R1420-E1534 IonicContact CZ-OE1 2.63Å; R1420-E1534 IonicContact NH1-OE1 3.75Å; R1420-E1534 PolarHBondContact NH1-OE1 3.33Å; R1420-E1534 IonicContact NH2-OE1 2.68Å; R1420-E1534 PolarHBondContact NH2-OE1 3.06Å; L1456-E1534 HydrophobicContact CD1-CG 3.77Å; V1464-E1534 HydrophobicContact CG1-CB 4.14Å; V1464-E1534 HydrophobicContact CG1-CG 4.24Å; C1530-E1534 WeakPolarHBondContact O-CG 3.4Å; C1530-E1534 PolarHBondContact O-N 3.29Å; E1534-Q1538 PolarHBondContact O-N 2.82Å |
| 1535 | T | 83.1 | Confident | 82.6 | Confident | 2 Ų | 2 | 9.8 Ų | 9.8 | 1% | 0.012 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -72.4 | -34.7 | 173.5 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | Y1467 M1475 V1476 Y1479 G1531 L1532 Q1538 A1539 | Y1467-T1535 HydrophobicContact CD2-CG2 4.02Å; Y1467-T1535 HydrophobicContact CE2-CG2 4.05Å; M1475-T1535 HydrophobicContact CB-CG2 3.91Å; V1476-T1535 WeakPolarHBondContact CG2-OG1 3.48Å; Y1479-T1535 HydrophobicContact CE2-CG2 4.42Å; G1531-T1535 WeakPolarHBondContact O-CB 3.49Å; G1531-T1535 WeakPolarHBondContact O-CG2 3.44Å; G1531-T1535 PolarHBondContact O-N 3.46Å; G1531-T1535 PolarHBondContact O-OG1 3.37Å; L1532-T1535 WeakPolarHBondContact CA-OG1 3.39Å; L1532-T1535 PolarHBondContact O-OG1 3.4Å; L1532-T1535 VanDerWaalsContact O-OG1 3.12Å; T1535-Q1538 PolarHBondContact O-N 3.09Å; T1535-A1539 VanDerWaalsContact O-CB 3.32Å; T1535-A1539 WeakPolarHBondContact O-CB 3.22Å; T1535-A1539 PolarHBondContact O-N 3.31Å |
| 1536 | A | 85.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1457 L1532 G1533 A1539 A1540 I1695 L1743 | L1457-A1536 HydrophobicContact CD2-CB 4.14Å; L1532-A1536 WeakPolarHBondContact O-CB 3.3Å; L1532-A1536 PolarHBondContact O-N 2.9Å; G1533-A1536 PolarHBondContact O-N 3.41Å; A1536-A1539 PolarHBondContact O-N 3.24Å; A1536-A1540 WeakPolarHBondContact O-CB 3.42Å; A1536-A1540 PolarHBondContact O-N 2.88Å; A1536-I1695 WeakPolarHBondContact O-CG2 3.34Å; A1536-L1743 HydrophobicContact CB-CD1 3.86Å; A1536-L1743 HydrophobicContact CB-CD2 4.1Å |
| 1537 | A | 84.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1456 L1457 V1464 G1533 A1540 Y1541 | L1456-A1537 HydrophobicContact CB-CB 4.07Å; L1457-A1537 HydrophobicContact CD2-CB 4.11Å; V1464-A1537 HydrophobicContact CG2-CB 3.84Å; G1533-A1537 WeakPolarHBondContact O-CB 3.34Å; G1533-A1537 PolarHBondContact O-N 3.35Å; A1537-A1540 PolarHBondContact O-N 2.99Å; A1537-Y1541 PolarHBondContact O-N 3.28Å |
| 1538 | Q | 83.1 | Confident | 81.9 | Confident | 2 Ų | 2 | 8.3 Ų | 8.3 | 1% | 0.009 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 171.4 | -177.1 | 80.3 | -3.7 | 0 | 0 | 112.1 | H1463 N1465 Y1467 C1472 E1534 T1535 A1540 Y1541 L1542 | H1463-Q1538 PolarHBondContact ND1-NE2 3.01Å; N1465-Q1538 VanDerWaalsContact N-OE1 3.08Å; N1465-Q1538 VanDerWaalsContact O-CD 3.27Å; N1465-Q1538 PolarHBondContact O-NE2 2.83Å; N1465-Q1538 PolarHBondContact O-OE1 3.08Å; N1465-Q1538 WeakPolarHBondContact OD1-CG 3.5Å; N1465-Q1538 PolarHBondContact OD1-NE2 3.03Å; Y1467-Q1538 PolarHBondContact O-NE2 2.94Å; C1472-Q1538 WeakPolarHBondContact SG-CG 3.49Å; E1534-Q1538 PolarHBondContact O-N 2.82Å; T1535-Q1538 PolarHBondContact O-N 3.09Å; Q1538-A1540 VanDerWaalsContact C-N 3.3Å; Q1538-A1540 PolarHBondContact O-N 3.24Å; Q1538-Y1541 WeakPolarHBondContact O-CB 3.14Å; Q1538-Y1541 PolarHBondContact O-N 2.91Å; Q1538-Y1541 VanDerWaalsContact O-N 3.13Å; Q1538-L1542 HydrophobicContact CG-CD1 4.15Å; Q1538-L1542 HydrophobicContact CG-CG 4.42Å; Q1538-L1542 WeakPolarHBondContact O-CG 3.47Å; Q1538-L1542 PolarHBondContact O-N 3.31Å |
| 1539 | A | 85.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | C1472 T1535 A1536 V1543 I1695 I1747 | C1472-A1539 HydrophobicContact CB-CB 4.17Å; T1535-A1539 VanDerWaalsContact O-CB 3.32Å; T1535-A1539 WeakPolarHBondContact O-CB 3.22Å; T1535-A1539 PolarHBondContact O-N 3.31Å; A1536-A1539 PolarHBondContact O-N 3.24Å; A1539-V1543 WeakPolarHBondContact O-CB 3.33Å; A1539-V1543 WeakPolarHBondContact O-CG2 3.48Å; A1539-V1543 PolarHBondContact O-N 3.03Å; A1539-I1695 HydrophobicContact CB-CG2 4.41Å; A1539-I1747 HydrophobicContact CB-CD1 3.9Å; A1539-I1747 HydrophobicContact CB-CG1 4.02Å |
| 1540 | A | 86.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60 | -49 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | P1460 A1536 A1537 Q1538 L1542 V1543 G1544 Q1692 I1695 V1696 | P1460-A1540 HydrophobicContact CB-CB 3.9Å; P1460-A1540 HydrophobicContact CG-CB 4.35Å; A1536-A1540 WeakPolarHBondContact O-CB 3.42Å; A1536-A1540 PolarHBondContact O-N 2.88Å; A1537-A1540 PolarHBondContact O-N 2.99Å; Q1538-A1540 VanDerWaalsContact C-N 3.3Å; Q1538-A1540 PolarHBondContact O-N 3.24Å; A1540-L1542 PolarHBondContact O-N 3.17Å; A1540-V1543 PolarHBondContact O-N 3.17Å; A1540-G1544 PolarHBondContact O-N 3.06Å; A1540-Q1692 HydrophobicContact CB-CB 4.39Å; A1540-Q1692 VanDerWaalsContact O-CG 3.23Å; A1540-Q1692 WeakPolarHBondContact O-CG 3.47Å; A1540-Q1692 PolarHBondContact O-NE2 3.29Å; A1540-I1695 HydrophobicContact CB-CB 4.3Å; A1540-I1695 HydrophobicContact CB-CG2 4.04Å; A1540-V1696 HydrophobicContact CB-CG2 3.91Å |
| 1541 | Y | 83.7 | Confident | 80.6 | Confident | 5 Ų | 5 | 15.5 Ų | 15.5 | 2% | 0.02 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -53.9 | -53.2 | 176.5 | 174 | -96.5 | 0 | 0 | 0 | 112.4 | D1461 Q1462 H1463 A1537 Q1538 V1543 G1544 V1545 S1682 I1684 | D1461-Y1541 WeakPolarHBondContact O-CE2 3.45Å; Q1462-Y1541 VanDerWaalsContact CA-CE2 3.44Å; Q1462-Y1541 VanDerWaalsContact N-CD2 3.26Å; Q1462-Y1541 WeakPolarHBondContact O-CD2 3.46Å; H1463-Y1541 HydrophobicContact CB-CE1 4.48Å; H1463-Y1541 AromaticContact CD2-CE1 3.45Å; H1463-Y1541 VanDerWaalsContact CD2-CE1 3.45Å; H1463-Y1541 WeakPolarHBondContact CD2-CE1 3.42Å; H1463-Y1541 AromaticContact CD2-CZ 3.66Å; H1463-Y1541 PolarHBondContact CD2-OH 3.42Å; H1463-Y1541 AromaticContact CE1-CE1 3.34Å; H1463-Y1541 WeakPolarHBondContact CE1-CE1 3.32Å; H1463-Y1541 AromaticContact CG-CD1 3.97Å; H1463-Y1541 AromaticContact CG-CE1 3.51Å; H1463-Y1541 AromaticContact ND1-CD1 3.73Å; H1463-Y1541 AromaticContact ND1-CE1 3.43Å; H1463-Y1541 WeakPolarHBondContact ND1-CE1 3.34Å; H1463-Y1541 AromaticContact NE2-CE1 3.32Å; H1463-Y1541 VanDerWaalsContact NE2-CE1 3.32Å; H1463-Y1541 WeakPolarHBondContact NE2-CE1 3.43Å; H1463-Y1541 AromaticContact NE2-CZ 3.79Å; H1463-Y1541 PolarHBondContact NE2-OH 3.25Å; A1537-Y1541 PolarHBondContact O-N 3.28Å; Q1538-Y1541 WeakPolarHBondContact O-CB 3.14Å; Q1538-Y1541 PolarHBondContact O-N 2.91Å; Q1538-Y1541 VanDerWaalsContact O-N 3.13Å; Y1541-V1543 PolarHBondContact O-N 3.15Å; Y1541-G1544 PolarHBondContact O-N 3.38Å; Y1541-G1544 VanDerWaalsContact O-N 3.11Å; Y1541-V1545 HydrophobicContact CD1-CG2 4.42Å; Y1541-V1545 HydrophobicContact CD2-CG2 4.24Å; Y1541-V1545 HydrophobicContact CE1-CG2 3.86Å; Y1541-V1545 HydrophobicContact CE2-CG2 3.72Å; Y1541-V1545 PolarHBondContact O-N 3.35Å; Y1541-S1682 WeakPolarHBondContact CE2-OG 3.28Å; Y1541-S1682 PolarHBondContact OH-OG 3.1Å; Y1541-I1684 HydrophobicContact CD2-CD1 4.27Å; Y1541-I1684 HydrophobicContact CE2-CD1 4.49Å |
| 1542 | L | 84.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | -178.1 | -66.1 | 175 | 0 | 0 | 0 | 112.4 | Q1538 A1540 G1544 V1545 A1546 E1821 | Q1538-L1542 HydrophobicContact CG-CD1 4.15Å; Q1538-L1542 HydrophobicContact CG-CG 4.42Å; Q1538-L1542 WeakPolarHBondContact O-CG 3.47Å; Q1538-L1542 PolarHBondContact O-N 3.31Å; A1540-L1542 PolarHBondContact O-N 3.17Å; L1542-G1544 VanDerWaalsContact C-N 3.31Å; L1542-G1544 PolarHBondContact O-N 2.92Å; L1542-V1545 PolarHBondContact O-N 3.01Å; L1542-A1546 VanDerWaalsContact O-CB 3.32Å; L1542-A1546 WeakPolarHBondContact O-CB 3.38Å; L1542-A1546 PolarHBondContact O-N 3.42Å; L1542-E1821 HydrophobicContact CD2-CB 4.43Å; L1542-E1821 HydrophobicContact CD2-CG 4.23Å |
| 1543 | V | 84.6 | Confident | 78.9 | Confident | 9 Ų | 9 | 18.4 Ų | 18.4 | 6% | 0.055 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.1 | -32.5 | 176.4 | 168.7 | 0 | 0 | 0 | 0 | 112.2 | Y1469 A1539 A1540 Y1541 A1691 I1695 K1750 | Y1469-V1543 HydrophobicContact CD2-CG2 4.47Å; Y1469-V1543 HydrophobicContact CE2-CG2 4.34Å; A1539-V1543 WeakPolarHBondContact O-CB 3.33Å; A1539-V1543 WeakPolarHBondContact O-CG2 3.48Å; A1539-V1543 PolarHBondContact O-N 3.03Å; A1540-V1543 PolarHBondContact O-N 3.17Å; Y1541-V1543 PolarHBondContact O-N 3.15Å; V1543-A1691 HydrophobicContact CG1-CB 3.95Å; V1543-I1695 HydrophobicContact CB-CD1 4.1Å; V1543-I1695 HydrophobicContact CG1-CD1 4.32Å; V1543-I1695 HydrophobicContact CG2-CD1 3.83Å; V1543-K1750 HydrophobicContact CG1-CB 3.93Å; V1543-K1750 HydrophobicContact CG2-CB 4.43Å |
| 1544 | G | 82.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.4 | -38.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1540 Y1541 L1542 S1550 Q1692 | A1540-G1544 PolarHBondContact O-N 3.06Å; Y1541-G1544 PolarHBondContact O-N 3.38Å; Y1541-G1544 VanDerWaalsContact O-N 3.11Å; L1542-G1544 VanDerWaalsContact C-N 3.31Å; L1542-G1544 PolarHBondContact O-N 2.92Å; G1544-S1550 WeakPolarHBondContact O-CB 3.49Å; G1544-S1550 PolarHBondContact O-OG 3.45Å; G1544-Q1692 VanDerWaalsContact CA-CG 3.48Å |
| 1545 | V | 80.8 | Confident | 76.6 | Confident | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.03 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.2 | -29.7 | 177.6 | 171.3 | 0 | 0 | 0 | 0 | 112.4 | Y1541 L1542 D1547 P1552 I1684 H1825 | Y1541-V1545 HydrophobicContact CD1-CG2 4.42Å; Y1541-V1545 HydrophobicContact CD2-CG2 4.24Å; Y1541-V1545 HydrophobicContact CE1-CG2 3.86Å; Y1541-V1545 HydrophobicContact CE2-CG2 3.72Å; Y1541-V1545 PolarHBondContact O-N 3.35Å; L1542-V1545 PolarHBondContact O-N 3.01Å; V1545-D1547 PolarHBondContact O-N 2.86Å; V1545-P1552 HydrophobicContact CG1-CB 3.63Å; V1545-I1684 HydrophobicContact CG2-CD1 4.44Å; V1545-I1684 HydrophobicContact CG2-CG1 4.38Å; V1545-H1825 PolarHBondContact O-NE2 2.82Å |
| 1546 | A | 79.3 | Confident | 75.6 | Confident | 7 Ų | 7 | 26.5 Ų | 26.5 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -6.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1542 P1752 E1821 S1824 | L1542-A1546 VanDerWaalsContact O-CB 3.32Å; L1542-A1546 WeakPolarHBondContact O-CB 3.38Å; L1542-A1546 PolarHBondContact O-N 3.42Å; A1546-P1752 HydrophobicContact CB-CB 3.36Å; A1546-E1821 WeakPolarHBondContact CA-O 3.48Å; A1546-E1821 HydrophobicContact CB-CB 4.35Å; A1546-S1824 WeakPolarHBondContact O-CB 3.49Å; A1546-S1824 PolarHBondContact O-OG 3.39Å |
| 1547 | D | 81.1 | Confident | 74.6 | Confident | 36 Ų | 36 | 28.9 Ų | 28.9 | 19% | 0.193 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -69.6 | 131.5 | 169.6 | 175 | 78.7 | 0 | 0 | 0 | 110.4 | V1545 N1549 S1550 S1685 H1825 | V1545-D1547 PolarHBondContact O-N 2.86Å; D1547-N1549 PolarHBondContact O-N 2.74Å; D1547-N1549 WeakPolarHBondContact OD2-CB 3.39Å; D1547-N1549 PolarHBondContact OD2-N 2.97Å; D1547-N1549 VanDerWaalsContact OD2-N 3.13Å; D1547-S1550 VanDerWaalsContact O-CB 3.32Å; D1547-S1550 WeakPolarHBondContact O-CB 3.2Å; D1547-S1550 PolarHBondContact O-N 3.47Å; D1547-S1550 PolarHBondContact OD2-N 3.39Å; D1547-S1685 WeakPolarHBondContact OD2-CB 3.4Å; D1547-S1685 PolarHBondContact OD2-OG 3.34Å; D1547-H1825 PolarHBondContact O-CE1 3.44Å; D1547-H1825 PolarHBondContact O-NE2 3.36Å |
| 1548 | A | 69.7 | Low | 73.8 | Confident | 24 Ų | 24 | 29.1 Ų | 29.1 | 20% | 0.198 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1549 | N | 72.8 | Confident | 73 | Confident | 93 Ų | 93 | 31.8 Ų | 31.8 | 50% | 0.497 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -7.6 | 174.4 | -62.5 | -59.1 | 0 | 0 | 0 | 113.2 | D1547 Q1687 | D1547-N1549 PolarHBondContact O-N 2.74Å; D1547-N1549 WeakPolarHBondContact OD2-CB 3.39Å; D1547-N1549 PolarHBondContact OD2-N 2.97Å; D1547-N1549 VanDerWaalsContact OD2-N 3.13Å; N1549-Q1687 PolarHBondContact ND2-OE1 3.47Å |
| 1550 | S | 73.4 | Confident | 72.1 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -77.4 | 151.2 | 168.9 | -69.9 | 0 | 0 | 0 | 0 | 110.3 | G1544 D1547 K1683 S1685 H1825 | G1544-S1550 WeakPolarHBondContact O-CB 3.49Å; G1544-S1550 PolarHBondContact O-OG 3.45Å; D1547-S1550 VanDerWaalsContact O-CB 3.32Å; D1547-S1550 WeakPolarHBondContact O-CB 3.2Å; D1547-S1550 PolarHBondContact O-N 3.47Å; D1547-S1550 PolarHBondContact OD2-N 3.39Å; S1550-K1683 CarbonylContact C-O 3.57Å; S1550-K1683 WeakPolarHBondContact CA-O 3.32Å; S1550-S1685 PolarHBondContact OG-N 3.48Å; S1550-H1825 PolarHBondContact O-CE1 2.89Å |
| 1551 | I | 68.6 | Low | 71 | Confident | 78 Ų | 78 | 34.5 Ų | 34.5 | 40% | 0.4 | 20% | 0.203 | S | C | . | . | B | Isolated β-bridge | trans | -108.8 | 116.1 | 173.1 | -57.5 | 177 | 0 | 0 | 0 | 107.8 | S1682 K1683 | I1551-S1682 CarbonylContact O-C 3.55Å; I1551-S1682 VanDerWaalsContact O-CA 3.29Å; I1551-S1682 WeakPolarHBondContact O-CA 3.32Å; I1551-S1682 WeakPolarHBondContact O-CB 3.43Å; I1551-K1683 HydrophobicContact CB-CB 4.26Å; I1551-K1683 HydrophobicContact CD1-CD 4.45Å; I1551-K1683 PolarHBondContact N-O 3.09Å; I1551-K1683 PolarHBondContact O-N 2.64Å |
| 1552 | P | 64.9 | Low | 70.3 | Confident | 52 Ų | 52 | 40.5 Ų | 40.5 | 34% | 0.338 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -59.9 | 140.8 | 171.7 | 24.5 | -32.4 | 0 | 0 | 0 | 110.1 | V1545 | V1545-P1552 HydrophobicContact CG1-CB 3.63Š|
| 1553 | G | 61.2 | Low | 70 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 143.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | V1680 | G1553-V1680 CarbonylContact C-O 3.6Å; G1553-V1680 WeakPolarHBondContact CA-O 3.46Å |
| 1554 | T | 58.5 | Low | 69.4 | Low | 78 Ų | 78 | 42.2 Ų | 42.2 | 48% | 0.479 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -71.8 | 126.4 | 171.6 | 62.9 | 0 | 0 | 0 | 0 | 107.9 | G1679 V1680 | T1554-G1679 VanDerWaalsContact O-CA 3.25Å; T1554-G1679 WeakPolarHBondContact O-CA 3.27Å; T1554-V1680 HydrophobicContact CG2-CB 4.36Å; T1554-V1680 PolarHBondContact N-O 2.97Å; T1554-V1680 PolarHBondContact O-N 2.87Å; T1554-V1680 WeakPolarHBondContact OG1-CB 3.24Å; T1554-V1680 WeakPolarHBondContact OG1-CG2 3.48Å; T1554-V1680 PolarHBondContact OG1-N 2.72Å |
| 1555 | P | 55.2 | Low | 68.9 | Low | 117 Ų | 117 | 44.9 Ų | 44.9 | 76% | 0.76 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 150.2 | 174.7 | 27.3 | -34.5 | 0 | 0 | 0 | 109.5 | ||
| 1556 | E | 62.6 | Low | 68.9 | Low | 32 Ų | 32 | 44.8 Ų | 44.8 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 139.6 | 176.2 | -41.3 | -156.2 | 115.9 | 0 | 0 | 109.8 | N1410 I1558 M1560 G1679 | N1410-E1556 PolarHBondContact ND2-OE1 2.84Å; N1410-E1556 PolarHBondContact ND2-OE2 3.39Å; N1410-E1556 PolarHBondContact OD1-OE2 3.06Å; E1556-I1558 VanDerWaalsContact CB-O 3.24Å; E1556-I1558 WeakPolarHBondContact CB-O 3.4Å; E1556-I1558 PolarHBondContact O-N 2.95Å; E1556-I1558 VanDerWaalsContact O-N 3.15Å; E1556-M1560 WeakPolarHBondContact OE2-CB 3.49Å; E1556-M1560 PolarHBondContact OE2-N 3.5Å; E1556-G1679 PolarHBondContact OE1-N 3.38Å |
| 1557 | L | 64.7 | Low | 69 | Low | 49 Ų | 49 | 45.4 Ų | 45.4 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -58.1 | -28.7 | 175.4 | -95.5 | 162.6 | 0 | 0 | 0 | 111.8 | Q1611 F1677 | L1557-Q1611 HydrophobicContact CD2-CB 3.41Å; L1557-Q1611 VanDerWaalsContact CD2-CB 3.41Å; L1557-F1677 HydrophobicContact CB-CB 4.41Å; L1557-F1677 HydrophobicContact CB-CD1 4.5Å; L1557-F1677 HydrophobicContact CD1-CD1 3.99Å; L1557-F1677 PolarHBondContact N-O 3Å |
| 1558 | I | 68.7 | Low | 69 | Low | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -130.5 | 122.8 | 170.4 | -71.2 | 169.7 | 0 | 0 | 0 | 107.7 | E1556 M1560 F1563 I1604 A1608 F1621 V1672 | E1556-I1558 VanDerWaalsContact CB-O 3.24Å; E1556-I1558 WeakPolarHBondContact CB-O 3.4Å; E1556-I1558 PolarHBondContact O-N 2.95Å; E1556-I1558 VanDerWaalsContact O-N 3.15Å; I1558-M1560 PolarHBondContact O-N 3.49Å; I1558-F1563 HydrophobicContact CG2-CB 3.71Å; I1558-F1563 HydrophobicContact CG2-CD2 4.17Å; I1558-F1563 HydrophobicContact CG2-CG 4.05Å; I1558-I1604 HydrophobicContact CB-CG2 4.45Å; I1558-I1604 HydrophobicContact CD1-CG2 4.48Å; I1558-I1604 HydrophobicContact CG1-CG2 4.09Å; I1558-I1604 HydrophobicContact CG2-CG2 3.73Å; I1558-A1608 HydrophobicContact CD1-CB 3.7Å; I1558-A1608 HydrophobicContact CG1-CB 3.56Å; I1558-F1621 HydrophobicContact CD1-CD1 4.24Å; I1558-F1621 HydrophobicContact CD1-CE1 3.33Å; I1558-F1621 HydrophobicContact CD1-CZ 3.6Å; I1558-V1672 HydrophobicContact CB-CG1 4.2Å; I1558-V1672 HydrophobicContact CD1-CB 4.47Å; I1558-V1672 HydrophobicContact CD1-CG1 4.06Å; I1558-V1672 HydrophobicContact CD1-CG2 3.62Å; I1558-V1672 HydrophobicContact CG2-CG1 3.87Å |
| 1559 | N | 65.3 | Low | 69.5 | Low | 59 Ų | 59 | 48.1 Ų | 48.1 | 32% | 0.316 | 27% | 0.27 | S | S | . | . | trans | -62.9 | 99.7 | 170.5 | -177.6 | -57.5 | 0 | 0 | 0 | 109.1 | N1561 R1562 F1563 | N1559-N1561 VanDerWaalsContact C-N 3.25Å; N1559-N1561 PolarHBondContact O-N 2.95Å; N1559-N1561 PolarHBondContact OD1-N 3.47Å; N1559-R1562 HydrophobicContact CB-CB 4.17Å; N1559-R1562 PolarHBondContact O-N 2.88Å; N1559-R1562 WeakPolarHBondContact OD1-CB 3.31Å; N1559-R1562 PolarHBondContact OD1-N 3.03Å; N1559-F1563 WeakPolarHBondContact O-CB 3.35Å; N1559-F1563 PolarHBondContact O-N 3.41Å | ||
| 1560 | M | 67.3 | Low | 70 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 4% | 0.044 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -33.3 | -171.8 | -171.2 | 68.4 | 61.5 | 0 | 0 | 112.3 | N1410 E1556 I1558 F1563 N1564 V1672 L1673 | N1410-M1560 WeakPolarHBondContact ND2-CB 3.21Å; E1556-M1560 WeakPolarHBondContact OE2-CB 3.49Å; E1556-M1560 PolarHBondContact OE2-N 3.5Å; I1558-M1560 PolarHBondContact O-N 3.49Å; M1560-F1563 PolarHBondContact O-N 3.44Å; M1560-F1563 HydrophobicContact SD-CD1 4.34Å; M1560-N1564 WeakPolarHBondContact O-CB 3.35Å; M1560-N1564 PolarHBondContact O-N 2.89Å; M1560-N1564 PolarHBondContact O-ND2 3.08Å; M1560-V1672 HydrophobicContact CE-CG1 3.66Å; M1560-V1672 WeakPolarHBondContact CE-O 3.34Å; M1560-V1672 HydrophobicContact SD-CG1 3.94Å; M1560-L1673 HydrophobicContact CE-CD2 4.06Å; M1560-L1673 HydrophobicContact SD-CD2 3.85Å; M1560-L1673 HydrophobicContact SD-CG 4.49Å |
| 1561 | N | 63.1 | Low | 70.5 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 177.8 | -62.6 | -42.8 | 0 | 0 | 0 | 111.4 | Q1413 N1559 A1565 | Q1413-N1561 VanDerWaalsContact CD-ND2 3.3Å; Q1413-N1561 PolarHBondContact OE1-ND2 3.29Å; N1559-N1561 VanDerWaalsContact C-N 3.25Å; N1559-N1561 PolarHBondContact O-N 2.95Å; N1559-N1561 PolarHBondContact OD1-N 3.47Å; N1561-A1565 VanDerWaalsContact O-CB 3.25Å; N1561-A1565 WeakPolarHBondContact O-CB 3.47Å; N1561-A1565 PolarHBondContact O-N 3.33Å |
| 1562 | R | 69.1 | Low | 71 | Confident | 130 Ų | 130 | 46 Ų | 46 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 175.5 | -169.7 | -178.7 | -172.9 | -178 | 2.2 | 111.5 | N1559 S1566 I1604 | N1559-R1562 HydrophobicContact CB-CB 4.17Å; N1559-R1562 PolarHBondContact O-N 2.88Å; N1559-R1562 WeakPolarHBondContact OD1-CB 3.31Å; N1559-R1562 PolarHBondContact OD1-N 3.03Å; R1562-S1566 PolarHBondContact O-N 3.1Å; R1562-S1566 VanDerWaalsContact O-N 3.08Å; R1562-S1566 PolarHBondContact O-OG 3.4Å; R1562-I1604 HydrophobicContact CG-CD1 4.23Å |
| 1563 | F | 76.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -54.2 | 175.8 | 175.8 | -92.8 | 0 | 0 | 0 | 111.3 | I1558 N1559 M1560 A1565 S1566 V1567 L1601 I1604 L1668 V1672 | I1558-F1563 HydrophobicContact CG2-CB 3.71Å; I1558-F1563 HydrophobicContact CG2-CD2 4.17Å; I1558-F1563 HydrophobicContact CG2-CG 4.05Å; N1559-F1563 WeakPolarHBondContact O-CB 3.35Å; N1559-F1563 PolarHBondContact O-N 3.41Å; M1560-F1563 PolarHBondContact O-N 3.44Å; M1560-F1563 HydrophobicContact SD-CD1 4.34Å; F1563-A1565 PolarHBondContact O-N 2.99Å; F1563-S1566 PolarHBondContact O-N 3.48Å; F1563-S1566 VanDerWaalsContact O-N 3.14Å; F1563-V1567 HydrophobicContact CD1-CG2 4.18Å; F1563-V1567 HydrophobicContact CE1-CG2 3.73Å; F1563-V1567 HydrophobicContact CE2-CG2 4.15Å; F1563-V1567 HydrophobicContact CZ-CG2 3.7Å; F1563-V1567 WeakPolarHBondContact O-CG2 3.41Å; F1563-V1567 PolarHBondContact O-N 2.63Å; F1563-L1601 HydrophobicContact CD2-CD2 3.66Å; F1563-L1601 HydrophobicContact CE2-CD2 3.82Å; F1563-L1601 HydrophobicContact CG-CD2 4.45Å; F1563-I1604 HydrophobicContact CD2-CG2 4.38Å; F1563-L1668 HydrophobicContact CE2-CD2 3.88Å; F1563-L1668 HydrophobicContact CE2-CG 3.84Å; F1563-L1668 HydrophobicContact CZ-CD2 4.25Å; F1563-L1668 HydrophobicContact CZ-CG 3.86Å; F1563-V1672 HydrophobicContact CD1-CG1 3.99Å; F1563-V1672 HydrophobicContact CD2-CG1 4.5Å; F1563-V1672 HydrophobicContact CE1-CB 4.13Å; F1563-V1672 HydrophobicContact CE1-CG1 4.06Å; F1563-V1672 HydrophobicContact CE1-CG2 4.44Å; F1563-V1672 HydrophobicContact CE2-CG2 3.97Å; F1563-V1672 HydrophobicContact CG-CG1 4.24Å; F1563-V1672 HydrophobicContact CZ-CB 4.12Å; F1563-V1672 HydrophobicContact CZ-CG1 4.35Å; F1563-V1672 HydrophobicContact CZ-CG2 3.94Å |
| 1564 | N | 72.5 | Confident | 72.8 | Confident | 48 Ų | 48 | 43 Ų | 43 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 179 | -73.8 | -15.9 | 0 | 0 | 0 | 112.3 | M1560 S1566 V1567 Q1568 | M1560-N1564 WeakPolarHBondContact O-CB 3.35Å; M1560-N1564 PolarHBondContact O-N 2.89Å; M1560-N1564 PolarHBondContact O-ND2 3.08Å; N1564-S1566 VanDerWaalsContact C-N 3.35Å; N1564-S1566 PolarHBondContact O-N 2.82Å; N1564-V1567 PolarHBondContact O-N 2.88Å; N1564-Q1568 VanDerWaalsContact O-CB 3.3Å; N1564-Q1568 WeakPolarHBondContact O-CB 3.25Å; N1564-Q1568 PolarHBondContact O-N 2.75Å |
| 1565 | A | 71 | Confident | 73.7 | Confident | 55 Ų | 55 | 45.2 Ų | 45.2 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1561 F1563 S1569 | N1561-A1565 VanDerWaalsContact O-CB 3.25Å; N1561-A1565 WeakPolarHBondContact O-CB 3.47Å; N1561-A1565 PolarHBondContact O-N 3.33Å; F1563-A1565 PolarHBondContact O-N 2.99Å; A1565-S1569 WeakPolarHBondContact O-CB 3.47Å; A1565-S1569 PolarHBondContact O-N 3.05Å; A1565-S1569 PolarHBondContact O-OG 3.14Å |
| 1566 | S | 80.9 | Confident | 74.7 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.4 | -41.7 | 174.3 | -75.4 | 0 | 0 | 0 | 0 | 112.7 | R1562 F1563 N1564 S1569 V1570 Q1597 L1600 | R1562-S1566 PolarHBondContact O-N 3.1Å; R1562-S1566 VanDerWaalsContact O-N 3.08Å; R1562-S1566 PolarHBondContact O-OG 3.4Å; F1563-S1566 PolarHBondContact O-N 3.48Å; F1563-S1566 VanDerWaalsContact O-N 3.14Å; N1564-S1566 VanDerWaalsContact C-N 3.35Å; N1564-S1566 PolarHBondContact O-N 2.82Å; S1566-S1569 PolarHBondContact O-N 2.88Å; S1566-V1570 WeakPolarHBondContact O-CG2 3.31Å; S1566-V1570 PolarHBondContact O-N 3.36Å; S1566-V1570 VanDerWaalsContact O-N 3.13Å; S1566-Q1597 PolarHBondContact OG-OE1 2.67Å; S1566-L1600 WeakPolarHBondContact OG-CD2 3.41Å |
| 1567 | V | 82.5 | Confident | 75.4 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -51.3 | 174.7 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | F1563 N1564 S1569 V1570 V1571 L1601 | F1563-V1567 HydrophobicContact CD1-CG2 4.18Å; F1563-V1567 HydrophobicContact CE1-CG2 3.73Å; F1563-V1567 HydrophobicContact CE2-CG2 4.15Å; F1563-V1567 HydrophobicContact CZ-CG2 3.7Å; F1563-V1567 WeakPolarHBondContact O-CG2 3.41Å; F1563-V1567 PolarHBondContact O-N 2.63Å; N1564-V1567 PolarHBondContact O-N 2.88Å; V1567-S1569 VanDerWaalsContact C-N 3.3Å; V1567-S1569 PolarHBondContact O-N 2.9Å; V1567-V1570 PolarHBondContact O-N 3.25Å; V1567-V1571 HydrophobicContact CG1-CG2 4.36Å; V1567-V1571 WeakPolarHBondContact O-CG2 3.42Å; V1567-V1571 PolarHBondContact O-N 3.01Å; V1567-L1601 HydrophobicContact CG2-CD1 4.22Å; V1567-L1601 HydrophobicContact CG2-CD2 3.99Å |
| 1568 | Q | 79.2 | Confident | 75.8 | Confident | 83 Ų | 83 | 44.1 Ų | 44.1 | 39% | 0.388 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.2 | -39.4 | 178.8 | -172.6 | 178.6 | -28 | 0 | 0 | 111.6 | R1394 N1564 V1570 V1571 E1572 | R1394-Q1568 VanDerWaalsContact NH1-NE2 3.19Å; N1564-Q1568 VanDerWaalsContact O-CB 3.3Å; N1564-Q1568 WeakPolarHBondContact O-CB 3.25Å; N1564-Q1568 PolarHBondContact O-N 2.75Å; Q1568-V1570 VanDerWaalsContact C-N 3.29Å; Q1568-V1570 PolarHBondContact O-N 2.85Å; Q1568-V1571 PolarHBondContact O-N 3.3Å; Q1568-E1572 HydrophobicContact CG-CG 4.33Å; Q1568-E1572 WeakPolarHBondContact CG-OE1 3.26Å; Q1568-E1572 PolarHBondContact NE2-OE1 2.82Å; Q1568-E1572 WeakPolarHBondContact O-CB 3.18Å; Q1568-E1572 WeakPolarHBondContact O-CG 3.28Å; Q1568-E1572 PolarHBondContact O-N 2.91Å |
| 1569 | S | 81 | Confident | 75.8 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.9 | -34.4 | 174.6 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | A1565 S1566 V1567 A1573 | A1565-S1569 WeakPolarHBondContact O-CB 3.47Å; A1565-S1569 PolarHBondContact O-N 3.05Å; A1565-S1569 PolarHBondContact O-OG 3.14Å; S1566-S1569 PolarHBondContact O-N 2.88Å; V1567-S1569 VanDerWaalsContact C-N 3.3Å; V1567-S1569 PolarHBondContact O-N 2.9Å; S1569-A1573 WeakPolarHBondContact O-CB 3.43Å; S1569-A1573 PolarHBondContact O-N 3.21Å |
| 1570 | V | 84.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.2 | -41.4 | 175.6 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | S1566 V1567 Q1568 A1573 C1574 I1594 Q1597 T1598 L1601 L1661 L1665 | S1566-V1570 WeakPolarHBondContact O-CG2 3.31Å; S1566-V1570 PolarHBondContact O-N 3.36Å; S1566-V1570 VanDerWaalsContact O-N 3.13Å; V1567-V1570 PolarHBondContact O-N 3.25Å; Q1568-V1570 VanDerWaalsContact C-N 3.29Å; Q1568-V1570 PolarHBondContact O-N 2.85Å; V1570-A1573 PolarHBondContact O-N 2.8Å; V1570-C1574 WeakPolarHBondContact O-CB 3.39Å; V1570-C1574 PolarHBondContact O-N 2.7Å; V1570-C1574 PolarHBondContact O-SG 2.85Å; V1570-C1574 VanDerWaalsContact O-SG 3.34Å; V1570-I1594 HydrophobicContact CG1-CG1 4.43Å; V1570-I1594 HydrophobicContact CG1-CG2 4.41Å; V1570-Q1597 HydrophobicContact CG2-CB 3.54Å; V1570-T1598 HydrophobicContact CG1-CG2 4.26Å; V1570-T1598 HydrophobicContact CG2-CG2 3.87Å; V1570-L1601 HydrophobicContact CG2-CD1 4.44Å; V1570-L1661 HydrophobicContact CG1-CD2 4.02Å; V1570-L1661 HydrophobicContact CG1-CG 4.44Å; V1570-L1665 HydrophobicContact CB-CD1 4Å; V1570-L1665 HydrophobicContact CG1-CD1 3.54Å |
| 1571 | V | 83.8 | Confident | 75.6 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.3 | -51.6 | 175.2 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | V1567 Q1568 A1573 C1574 E1575 L1662 | V1567-V1571 HydrophobicContact CG1-CG2 4.36Å; V1567-V1571 WeakPolarHBondContact O-CG2 3.42Å; V1567-V1571 PolarHBondContact O-N 3.01Å; Q1568-V1571 PolarHBondContact O-N 3.3Å; V1571-A1573 PolarHBondContact O-N 2.97Å; V1571-C1574 PolarHBondContact O-N 2.91Å; V1571-C1574 VanDerWaalsContact O-N 3.11Å; V1571-E1575 HydrophobicContact CG1-CG 4.36Å; V1571-E1575 WeakPolarHBondContact O-CG 3.42Å; V1571-E1575 PolarHBondContact O-N 2.84Å; V1571-L1662 HydrophobicContact CB-CD2 4.48Å; V1571-L1662 HydrophobicContact CG2-CD2 3.97Å |
| 1572 | E | 77.7 | Confident | 75.7 | Confident | 84 Ų | 84 | 59 Ų | 59 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -32.5 | 177.8 | -72.3 | 177.4 | -164.1 | 0 | 0 | 112.8 | Q1568 K1576 | Q1568-E1572 HydrophobicContact CG-CG 4.33Å; Q1568-E1572 WeakPolarHBondContact CG-OE1 3.26Å; Q1568-E1572 PolarHBondContact NE2-OE1 2.82Å; Q1568-E1572 WeakPolarHBondContact O-CB 3.18Å; Q1568-E1572 WeakPolarHBondContact O-CG 3.28Å; Q1568-E1572 PolarHBondContact O-N 2.91Å; E1572-K1576 WeakPolarHBondContact O-CD 3.27Å; E1572-K1576 VanDerWaalsContact O-CG 3.22Å; E1572-K1576 WeakPolarHBondContact O-CG 3.4Å; E1572-K1576 PolarHBondContact O-N 2.94Å |
| 1573 | A | 82.3 | Confident | 75.7 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76.1 | -36.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1569 V1570 V1571 I1577 V1593 I1594 | S1569-A1573 WeakPolarHBondContact O-CB 3.43Å; S1569-A1573 PolarHBondContact O-N 3.21Å; V1570-A1573 PolarHBondContact O-N 2.8Å; V1571-A1573 PolarHBondContact O-N 2.97Å; A1573-I1577 WeakPolarHBondContact O-CG1 3.48Å; A1573-I1577 PolarHBondContact O-N 3.46Å; A1573-V1593 HydrophobicContact CB-CG1 4.3Å; A1573-I1594 HydrophobicContact CB-CD1 3.95Å; A1573-I1594 HydrophobicContact CB-CG1 3.55Å |
| 1574 | C | 81.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 172.9 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | V1570 V1571 K1576 I1577 S1578 T1658 L1662 | V1570-C1574 WeakPolarHBondContact O-CB 3.39Å; V1570-C1574 PolarHBondContact O-N 2.7Å; V1570-C1574 PolarHBondContact O-SG 2.85Å; V1570-C1574 VanDerWaalsContact O-SG 3.34Å; V1571-C1574 PolarHBondContact O-N 2.91Å; V1571-C1574 VanDerWaalsContact O-N 3.11Å; C1574-K1576 VanDerWaalsContact C-N 3.3Å; C1574-K1576 PolarHBondContact O-N 3.22Å; C1574-I1577 WeakPolarHBondContact O-CB 3.5Å; C1574-I1577 PolarHBondContact O-N 3.36Å; C1574-I1577 VanDerWaalsContact O-N 3.08Å; C1574-S1578 PolarHBondContact O-N 2.79Å; C1574-S1578 PolarHBondContact O-OG 2.76Å; C1574-T1658 HydrophobicContact CB-CG2 4.38Å; C1574-L1662 HydrophobicContact CB-CD1 4.34Å; C1574-L1662 HydrophobicContact CB-CD2 4.06Å; C1574-L1662 HydrophobicContact CB-CG 4.35Å |
| 1575 | E | 78.2 | Confident | 75.5 | Confident | 126 Ų | 126 | 63.5 Ų | 63.5 | 59% | 0.589 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.8 | -39.7 | 174.9 | -73.7 | -178.3 | 169.2 | 0 | 0 | 112 | V1571 I1577 S1578 S1579 | V1571-E1575 HydrophobicContact CG1-CG 4.36Å; V1571-E1575 WeakPolarHBondContact O-CG 3.42Å; V1571-E1575 PolarHBondContact O-N 2.84Å; E1575-I1577 PolarHBondContact O-N 3.1Å; E1575-S1578 PolarHBondContact O-N 3.05Å; E1575-S1579 PolarHBondContact O-N 2.87Å |
| 1576 | K | 75.8 | Confident | 75.7 | Confident | 117 Ų | 117 | 64.5 Ų | 64.5 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 171.7 | -78.2 | 171 | -175.4 | 174.6 | 0 | 111.5 | E1572 C1574 S1579 L1582 | E1572-K1576 WeakPolarHBondContact O-CD 3.27Å; E1572-K1576 VanDerWaalsContact O-CG 3.22Å; E1572-K1576 WeakPolarHBondContact O-CG 3.4Å; E1572-K1576 PolarHBondContact O-N 2.94Å; C1574-K1576 VanDerWaalsContact C-N 3.3Å; C1574-K1576 PolarHBondContact O-N 3.22Å; K1576-S1579 WeakPolarHBondContact O-CB 3.47Å; K1576-S1579 PolarHBondContact O-N 3.46Å; K1576-S1579 PolarHBondContact O-OG 3.33Å; K1576-L1582 HydrophobicContact CB-CD1 4.11Å; K1576-L1582 HydrophobicContact CB-CD2 4.45Å; K1576-L1582 VanDerWaalsContact O-CD1 3.26Å; K1576-L1582 WeakPolarHBondContact O-CD1 3.46Å; K1576-L1582 WeakPolarHBondContact O-CG 3.35Å |
| 1577 | I | 76.6 | Confident | 75.3 | Confident | 15 Ų | 15 | 64.9 Ų | 64.9 | 8% | 0.077 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 177.3 | -67.4 | 168.4 | 0 | 0 | 0 | 110.9 | A1573 C1574 E1575 S1579 R1580 L1582 A1590 I1594 I1639 T1658 | A1573-I1577 WeakPolarHBondContact O-CG1 3.48Å; A1573-I1577 PolarHBondContact O-N 3.46Å; C1574-I1577 WeakPolarHBondContact O-CB 3.5Å; C1574-I1577 PolarHBondContact O-N 3.36Å; C1574-I1577 VanDerWaalsContact O-N 3.08Å; E1575-I1577 PolarHBondContact O-N 3.1Å; I1577-S1579 PolarHBondContact O-N 3.5Å; I1577-R1580 PolarHBondContact O-N 3.39Å; I1577-L1582 HydrophobicContact CG1-CD1 4.48Å; I1577-A1590 HydrophobicContact CD1-CB 4.37Å; I1577-A1590 HydrophobicContact CG1-CB 4.23Å; I1577-I1594 HydrophobicContact CD1-CD1 3.59Å; I1577-I1639 HydrophobicContact CD1-CD1 4.29Å; I1577-T1658 HydrophobicContact CG2-CG2 4.23Å |
| 1578 | S | 74.5 | Confident | 75.1 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.2 | -13.7 | 177.9 | -65.6 | 0 | 0 | 0 | 0 | 114.1 | C1574 E1575 R1580 D1655 | C1574-S1578 PolarHBondContact O-N 2.79Å; C1574-S1578 PolarHBondContact O-OG 2.76Å; E1575-S1578 PolarHBondContact O-N 3.05Å; S1578-R1580 PolarHBondContact O-N 2.9Å; S1578-D1655 VanDerWaalsContact CB-OD1 3.31Å; S1578-D1655 WeakPolarHBondContact CB-OD1 3.23Å; S1578-D1655 PolarHBondContact OG-OD1 3.34Å |
| 1579 | S | 68.7 | Low | 75.1 | Confident | 57 Ų | 57 | 69.7 Ų | 69.7 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -13.5 | 178.4 | 79.7 | 0 | 0 | 0 | 0 | 114.9 | E1575 K1576 I1577 K1581 | E1575-S1579 PolarHBondContact O-N 2.87Å; K1576-S1579 WeakPolarHBondContact O-CB 3.47Å; K1576-S1579 PolarHBondContact O-N 3.46Å; K1576-S1579 PolarHBondContact O-OG 3.33Å; I1577-S1579 PolarHBondContact O-N 3.5Å; S1579-K1581 PolarHBondContact O-N 3.01Å |
| 1580 | R | 64.7 | Low | 74.9 | Confident | 160 Ų | 160 | 68.5 Ų | 68.5 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 56.5 | 16.3 | 178.5 | -54.4 | -176.7 | -175.4 | -162.3 | -4 | 116.1 | I1577 S1578 D1655 | I1577-R1580 PolarHBondContact O-N 3.39Å; S1578-R1580 PolarHBondContact O-N 2.9Å; R1580-D1655 IonicContact CZ-OD2 2.69Å; R1580-D1655 IonicContact NE-OD2 3.15Å; R1580-D1655 IonicContact NH2-OD2 3.89Å; R1580-D1655 PolarHBondContact NH2-OD2 3.19Å |
| 1581 | K | 64 | Low | 74.7 | Confident | 183 Ų | 183 | 69.1 Ų | 69.1 | 80% | 0.796 | 35% | 0.349 | S | S | * | . | trans | -111.7 | 0.8 | -177.2 | -73.2 | -179.5 | -179.5 | -178.4 | 0 | 114.9 | S1579 | S1579-K1581 PolarHBondContact O-N 3.01Š| ||
| 1582 | L | 64.4 | Low | 74.7 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 18% | 0.183 | 36% | 0.364 | C | S | . | . | trans | -82.5 | 145.7 | -171.6 | -61.3 | 179.6 | 0 | 0 | 0 | 113.6 | K1576 I1577 E1586 I1587 | K1576-L1582 HydrophobicContact CB-CD1 4.11Å; K1576-L1582 HydrophobicContact CB-CD2 4.45Å; K1576-L1582 VanDerWaalsContact O-CD1 3.26Å; K1576-L1582 WeakPolarHBondContact O-CD1 3.46Å; K1576-L1582 WeakPolarHBondContact O-CG 3.35Å; I1577-L1582 HydrophobicContact CG1-CD1 4.48Å; L1582-E1586 VanDerWaalsContact CA-OE2 3.3Å; L1582-E1586 WeakPolarHBondContact CA-OE2 3.06Å; L1582-E1586 HydrophobicContact CB-CB 4.19Å; L1582-E1586 HydrophobicContact CD2-CB 4.06Å; L1582-I1587 HydrophobicContact CB-CD1 4.08Å; L1582-I1587 HydrophobicContact CB-CG1 3.61Å; L1582-I1587 HydrophobicContact CD1-CG1 3.72Å; L1582-I1587 HydrophobicContact CG-CG1 4.36Å | ||
| 1583 | N | 69.3 | Low | 75 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | trans | -77.7 | 158.2 | 166.3 | -63.8 | -57.4 | 0 | 0 | 0 | 111.5 | A1585 E1586 I1587 | N1583-A1585 PolarHBondContact O-N 3.49Å; N1583-A1585 VanDerWaalsContact O-N 3.14Å; N1583-E1586 HydrophobicContact CB-CG 4.29Å; N1583-E1586 PolarHBondContact N-OE2 3.26Å; N1583-E1586 PolarHBondContact ND2-OE1 3.19Å; N1583-E1586 WeakPolarHBondContact O-CB 3.36Å; N1583-E1586 PolarHBondContact O-N 3.08Å; N1583-I1587 PolarHBondContact O-N 3.31Å | ||
| 1584 | Q | 69.3 | Low | 75.1 | Confident | 97 Ų | 97 | 70.2 Ų | 70.2 | 45% | 0.453 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -50.1 | -41.4 | 178.5 | -175.9 | 179.2 | 4.2 | 0 | 0 | 113.3 | I1587 L1588 D1643 | Q1584-I1587 PolarHBondContact O-N 2.87Å; Q1584-L1588 HydrophobicContact CG-CD1 4.45Å; Q1584-L1588 WeakPolarHBondContact O-CG 3.24Å; Q1584-L1588 PolarHBondContact O-N 2.76Å; Q1584-D1643 PolarHBondContact NE2-OD1 2.87Å |
| 1585 | A | 75 | Confident | 75.1 | Confident | 73 Ų | 73 | 71.6 Ų | 71.6 | 60% | 0.603 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.1 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1583 L1588 E1589 | N1583-A1585 PolarHBondContact O-N 3.49Å; N1583-A1585 VanDerWaalsContact O-N 3.14Å; A1585-L1588 PolarHBondContact O-N 3.36Å; A1585-E1589 WeakPolarHBondContact O-CB 3.2Å; A1585-E1589 PolarHBondContact O-N 3.27Å |
| 1586 | E | 75.1 | Confident | 75.6 | Confident | 76 Ų | 76 | 73 Ų | 73 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -73.9 | -31.4 | -179.6 | -61.2 | 161.3 | -176.8 | 0 | 0 | 111.2 | L1582 N1583 A1590 | L1582-E1586 VanDerWaalsContact CA-OE2 3.3Å; L1582-E1586 WeakPolarHBondContact CA-OE2 3.06Å; L1582-E1586 HydrophobicContact CB-CB 4.19Å; L1582-E1586 HydrophobicContact CD2-CB 4.06Å; N1583-E1586 HydrophobicContact CB-CG 4.29Å; N1583-E1586 PolarHBondContact N-OE2 3.26Å; N1583-E1586 PolarHBondContact ND2-OE1 3.19Å; N1583-E1586 WeakPolarHBondContact O-CB 3.36Å; N1583-E1586 PolarHBondContact O-N 3.08Å; E1586-A1590 WeakPolarHBondContact O-CB 3.37Å; E1586-A1590 PolarHBondContact O-N 2.97Å |
| 1587 | I | 74 | Confident | 76.2 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 6% | 0.056 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.6 | -42.6 | 171.4 | -66.4 | 166.2 | 0 | 0 | 0 | 110.6 | L1582 N1583 Q1584 A1590 A1591 I1639 L1642 F1646 L1651 | L1582-I1587 HydrophobicContact CB-CD1 4.08Å; L1582-I1587 HydrophobicContact CB-CG1 3.61Å; L1582-I1587 HydrophobicContact CD1-CG1 3.72Å; L1582-I1587 HydrophobicContact CG-CG1 4.36Å; N1583-I1587 PolarHBondContact O-N 3.31Å; Q1584-I1587 PolarHBondContact O-N 2.87Å; I1587-A1590 PolarHBondContact O-N 3.39Å; I1587-A1591 VanDerWaalsContact O-CB 3.26Å; I1587-A1591 WeakPolarHBondContact O-CB 3.47Å; I1587-A1591 PolarHBondContact O-N 3.38Å; I1587-I1639 HydrophobicContact CG2-CG2 4.35Å; I1587-L1642 HydrophobicContact CD1-CD2 4.14Å; I1587-L1642 HydrophobicContact CG2-CD2 4.18Å; I1587-F1646 HydrophobicContact CD1-CE2 3.81Å; I1587-F1646 HydrophobicContact CD1-CZ 4.38Å; I1587-L1651 HydrophobicContact CD1-CD2 4.27Å |
| 1588 | L | 78 | Confident | 76.6 | Confident | 70 Ų | 70 | 68.7 Ų | 68.7 | 37% | 0.366 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 174.7 | -72 | 171.1 | 0 | 0 | 0 | 112.1 | Q1584 A1585 A1591 T1592 | Q1584-L1588 HydrophobicContact CG-CD1 4.45Å; Q1584-L1588 WeakPolarHBondContact O-CG 3.24Å; Q1584-L1588 PolarHBondContact O-N 2.76Å; A1585-L1588 PolarHBondContact O-N 3.36Å; L1588-A1591 PolarHBondContact O-N 3.47Å; L1588-T1592 WeakPolarHBondContact O-CB 3.48Å; L1588-T1592 PolarHBondContact O-N 3.46Å; L1588-T1592 PolarHBondContact O-OG1 3.44Å |
| 1589 | E | 79.1 | Confident | 77.2 | Confident | 134 Ų | 134 | 70.6 Ų | 70.6 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.2 | -49.6 | 172.3 | -171.5 | 178.7 | 179.8 | 0 | 0 | 111.1 | A1585 A1591 T1592 V1593 | A1585-E1589 WeakPolarHBondContact O-CB 3.2Å; A1585-E1589 PolarHBondContact O-N 3.27Å; E1589-A1591 VanDerWaalsContact C-N 3.34Å; E1589-A1591 PolarHBondContact O-N 2.81Å; E1589-T1592 WeakPolarHBondContact O-CB 3.4Å; E1589-T1592 PolarHBondContact O-N 3.47Å; E1589-T1592 VanDerWaalsContact O-N 3.12Å; E1589-V1593 WeakPolarHBondContact O-CG2 3.47Å; E1589-V1593 PolarHBondContact O-N 3.42Å |
| 1590 | A | 77.5 | Confident | 78 | Confident | 8 Ų | 8 | 69.9 Ų | 69.9 | 7% | 0.066 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.7 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1577 E1586 I1587 T1592 V1593 I1594 | I1577-A1590 HydrophobicContact CD1-CB 4.37Å; I1577-A1590 HydrophobicContact CG1-CB 4.23Å; E1586-A1590 WeakPolarHBondContact O-CB 3.37Å; E1586-A1590 PolarHBondContact O-N 2.97Å; I1587-A1590 PolarHBondContact O-N 3.39Å; A1590-T1592 VanDerWaalsContact C-N 3.31Å; A1590-T1592 PolarHBondContact O-N 2.91Å; A1590-V1593 PolarHBondContact O-N 2.99Å; A1590-I1594 VanDerWaalsContact O-CG1 3.29Å; A1590-I1594 WeakPolarHBondContact O-CG1 3.33Å; A1590-I1594 PolarHBondContact O-N 2.78Å |
| 1591 | A | 79.3 | Confident | 79 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 12% | 0.116 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61 | -38.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1587 L1588 E1589 I1594 A1595 I1639 | I1587-A1591 VanDerWaalsContact O-CB 3.26Å; I1587-A1591 WeakPolarHBondContact O-CB 3.47Å; I1587-A1591 PolarHBondContact O-N 3.38Å; L1588-A1591 PolarHBondContact O-N 3.47Å; E1589-A1591 VanDerWaalsContact C-N 3.34Å; E1589-A1591 PolarHBondContact O-N 2.81Å; A1591-I1594 PolarHBondContact O-N 3Å; A1591-A1595 WeakPolarHBondContact O-CB 3.44Å; A1591-A1595 PolarHBondContact O-N 3.26Å; A1591-I1639 HydrophobicContact CB-CD1 3.78Å; A1591-I1639 HydrophobicContact CB-CG2 4.06Å |
| 1592 | T | 84.1 | Confident | 79.9 | Confident | 96 Ų | 96 | 54.7 Ų | 54.7 | 59% | 0.589 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -69.3 | -39.4 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | L1588 E1589 A1590 K1596 | L1588-T1592 WeakPolarHBondContact O-CB 3.48Å; L1588-T1592 PolarHBondContact O-N 3.46Å; L1588-T1592 PolarHBondContact O-OG1 3.44Å; E1589-T1592 WeakPolarHBondContact O-CB 3.4Å; E1589-T1592 PolarHBondContact O-N 3.47Å; E1589-T1592 VanDerWaalsContact O-N 3.12Å; A1590-T1592 VanDerWaalsContact C-N 3.31Å; A1590-T1592 PolarHBondContact O-N 2.91Å; T1592-K1596 VanDerWaalsContact O-CB 3.27Å; T1592-K1596 WeakPolarHBondContact O-CB 3.5Å; T1592-K1596 PolarHBondContact O-N 3.15Å |
| 1593 | V | 83 | Confident | 80.7 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 34% | 0.339 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 172.4 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | A1573 E1589 A1590 K1596 Q1597 | A1573-V1593 HydrophobicContact CB-CG1 4.3Å; E1589-V1593 WeakPolarHBondContact O-CG2 3.47Å; E1589-V1593 PolarHBondContact O-N 3.42Å; A1590-V1593 PolarHBondContact O-N 2.99Å; V1593-K1596 PolarHBondContact O-N 3.32Å; V1593-Q1597 HydrophobicContact CG1-CG 4.21Å; V1593-Q1597 WeakPolarHBondContact O-CB 3.5Å; V1593-Q1597 VanDerWaalsContact O-CG 3.26Å; V1593-Q1597 WeakPolarHBondContact O-CG 3.26Å; V1593-Q1597 PolarHBondContact O-N 3.09Å |
| 1594 | I | 84.8 | Confident | 81.3 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.1 | -54.8 | 176.8 | -67.9 | 167.7 | 0 | 0 | 0 | 109.8 | V1570 A1573 I1577 A1590 A1591 K1596 Q1597 T1598 L1635 L1661 | V1570-I1594 HydrophobicContact CG1-CG1 4.43Å; V1570-I1594 HydrophobicContact CG1-CG2 4.41Å; A1573-I1594 HydrophobicContact CB-CD1 3.95Å; A1573-I1594 HydrophobicContact CB-CG1 3.55Å; I1577-I1594 HydrophobicContact CD1-CD1 3.59Å; A1590-I1594 VanDerWaalsContact O-CG1 3.29Å; A1590-I1594 WeakPolarHBondContact O-CG1 3.33Å; A1590-I1594 PolarHBondContact O-N 2.78Å; A1591-I1594 PolarHBondContact O-N 3Å; I1594-K1596 VanDerWaalsContact C-N 3.31Å; I1594-K1596 PolarHBondContact O-N 3.08Å; I1594-Q1597 PolarHBondContact O-N 2.85Å; I1594-T1598 HydrophobicContact CG2-CG2 4.07Å; I1594-T1598 WeakPolarHBondContact O-CB 3.49Å; I1594-T1598 WeakPolarHBondContact O-CG2 3.37Å; I1594-T1598 PolarHBondContact O-N 2.92Å; I1594-T1598 PolarHBondContact O-OG1 3Å; I1594-L1635 HydrophobicContact CD1-CD2 4Å; I1594-L1635 HydrophobicContact CG2-CD2 4.34Å; I1594-L1661 HydrophobicContact CG2-CD2 3.94Å |
| 1595 | A | 82.8 | Confident | 81.9 | Confident | 30 Ų | 30 | 48.1 Ų | 48.1 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.7 | -39.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1591 T1599 I1636 | A1591-A1595 WeakPolarHBondContact O-CB 3.44Å; A1591-A1595 PolarHBondContact O-N 3.26Å; A1595-T1599 VanDerWaalsContact O-CB 3.3Å; A1595-T1599 WeakPolarHBondContact O-CB 3.24Å; A1595-T1599 PolarHBondContact O-N 2.66Å; A1595-T1599 VanDerWaalsContact O-N 3.14Å; A1595-T1599 PolarHBondContact O-OG1 2.9Å; A1595-I1636 HydrophobicContact CB-CD1 4.2Å |
| 1596 | K | 86.8 | Confident | 82.1 | Confident | 156 Ų | 156 | 53.1 Ų | 53.1 | 68% | 0.678 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.3 | -44.3 | 177.4 | -177.2 | 179.7 | 177.3 | -176.5 | 0 | 111.9 | T1592 V1593 I1594 L1600 | T1592-K1596 VanDerWaalsContact O-CB 3.27Å; T1592-K1596 WeakPolarHBondContact O-CB 3.5Å; T1592-K1596 PolarHBondContact O-N 3.15Å; V1593-K1596 PolarHBondContact O-N 3.32Å; I1594-K1596 VanDerWaalsContact C-N 3.31Å; I1594-K1596 PolarHBondContact O-N 3.08Å; K1596-L1600 PolarHBondContact O-N 2.82Å; K1596-L1600 VanDerWaalsContact O-N 3.12Å |
| 1597 | Q | 88.4 | Confident | 81.9 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 16% | 0.164 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -76.7 | -37.4 | -176.9 | -65.2 | -68.9 | 3.7 | 0 | 0 | 112.3 | S1566 V1570 V1593 I1594 T1599 L1600 L1601 | S1566-Q1597 PolarHBondContact OG-OE1 2.67Å; V1570-Q1597 HydrophobicContact CG2-CB 3.54Å; V1593-Q1597 HydrophobicContact CG1-CG 4.21Å; V1593-Q1597 WeakPolarHBondContact O-CB 3.5Å; V1593-Q1597 VanDerWaalsContact O-CG 3.26Å; V1593-Q1597 WeakPolarHBondContact O-CG 3.26Å; V1593-Q1597 PolarHBondContact O-N 3.09Å; I1594-Q1597 PolarHBondContact O-N 2.85Å; Q1597-T1599 VanDerWaalsContact C-N 3.35Å; Q1597-L1600 WeakPolarHBondContact O-CB 3.38Å; Q1597-L1600 PolarHBondContact O-N 3.12Å; Q1597-L1600 VanDerWaalsContact O-N 3.17Å; Q1597-L1601 WeakPolarHBondContact O-CG 3.24Å; Q1597-L1601 PolarHBondContact O-N 3.48Å |
| 1598 | T | 86.7 | Confident | 81.8 | Confident | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.8 | -31.5 | 175.2 | 60 | 0 | 0 | 0 | 0 | 112.2 | V1570 I1594 L1600 L1601 A1602 V1628 T1632 L1661 | V1570-T1598 HydrophobicContact CG1-CG2 4.26Å; V1570-T1598 HydrophobicContact CG2-CG2 3.87Å; I1594-T1598 HydrophobicContact CG2-CG2 4.07Å; I1594-T1598 WeakPolarHBondContact O-CB 3.49Å; I1594-T1598 WeakPolarHBondContact O-CG2 3.37Å; I1594-T1598 PolarHBondContact O-N 2.92Å; I1594-T1598 PolarHBondContact O-OG1 3Å; T1598-L1600 VanDerWaalsContact C-N 3.35Å; T1598-L1601 PolarHBondContact O-N 3.39Å; T1598-A1602 WeakPolarHBondContact O-CB 3.46Å; T1598-A1602 PolarHBondContact O-N 3.39Å; T1598-V1628 HydrophobicContact CG2-CG1 3.96Å; T1598-T1632 WeakPolarHBondContact CB-OG1 3.22Å; T1598-T1632 WeakPolarHBondContact CG2-OG1 3.28Å; T1598-T1632 WeakPolarHBondContact OG1-CG2 3.29Å; T1598-T1632 PolarHBondContact OG1-OG1 3.39Å; T1598-T1632 VanDerWaalsContact OG1-OG1 3.1Å; T1598-L1661 HydrophobicContact CG2-CD1 4.27Å |
| 1599 | T | 85.6 | Confident | 81.7 | Confident | 82 Ų | 82 | 50.3 Ų | 50.3 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 167.7 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | A1595 Q1597 A1602 N1603 | A1595-T1599 VanDerWaalsContact O-CB 3.3Å; A1595-T1599 WeakPolarHBondContact O-CB 3.24Å; A1595-T1599 PolarHBondContact O-N 2.66Å; A1595-T1599 VanDerWaalsContact O-N 3.14Å; A1595-T1599 PolarHBondContact O-OG1 2.9Å; Q1597-T1599 VanDerWaalsContact C-N 3.35Å; T1599-A1602 PolarHBondContact O-N 2.97Å; T1599-N1603 PolarHBondContact O-N 3.08Å |
| 1600 | L | 85.3 | Confident | 81.1 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 175.2 | 176.9 | 55.4 | 0 | 0 | 0 | 112 | S1566 K1596 Q1597 T1598 N1603 I1604 | S1566-L1600 WeakPolarHBondContact OG-CD2 3.41Å; K1596-L1600 PolarHBondContact O-N 2.82Å; K1596-L1600 VanDerWaalsContact O-N 3.12Å; Q1597-L1600 WeakPolarHBondContact O-CB 3.38Å; Q1597-L1600 PolarHBondContact O-N 3.12Å; Q1597-L1600 VanDerWaalsContact O-N 3.17Å; T1598-L1600 VanDerWaalsContact C-N 3.35Å; L1600-N1603 PolarHBondContact O-N 3.4Å; L1600-I1604 HydrophobicContact CD1-CD1 4.18Å; L1600-I1604 HydrophobicContact CD1-CG1 4.27Å; L1600-I1604 HydrophobicContact CG-CD1 4.07Å; L1600-I1604 WeakPolarHBondContact O-CG1 3.38Å; L1600-I1604 PolarHBondContact O-N 3.16Å |
| 1601 | L | 85.5 | Confident | 80.5 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 174 | -70.6 | 168.9 | 0 | 0 | 0 | 112.1 | F1563 V1567 V1570 Q1597 T1598 N1603 I1604 C1605 L1665 | F1563-L1601 HydrophobicContact CD2-CD2 3.66Å; F1563-L1601 HydrophobicContact CE2-CD2 3.82Å; F1563-L1601 HydrophobicContact CG-CD2 4.45Å; V1567-L1601 HydrophobicContact CG2-CD1 4.22Å; V1567-L1601 HydrophobicContact CG2-CD2 3.99Å; V1570-L1601 HydrophobicContact CG2-CD1 4.44Å; Q1597-L1601 WeakPolarHBondContact O-CG 3.24Å; Q1597-L1601 PolarHBondContact O-N 3.48Å; T1598-L1601 PolarHBondContact O-N 3.39Å; L1601-N1603 VanDerWaalsContact C-N 3.32Å; L1601-N1603 PolarHBondContact O-N 3.11Å; L1601-I1604 PolarHBondContact O-N 3.07Å; L1601-C1605 PolarHBondContact O-N 2.85Å; L1601-C1605 PolarHBondContact O-SG 2.95Å; L1601-L1665 HydrophobicContact CD1-CD2 3.55Å |
| 1602 | A | 83.2 | Confident | 79.8 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 19% | 0.19 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1598 T1599 R1606 A1625 | T1598-A1602 WeakPolarHBondContact O-CB 3.46Å; T1598-A1602 PolarHBondContact O-N 3.39Å; T1599-A1602 PolarHBondContact O-N 2.97Å; A1602-R1606 WeakPolarHBondContact O-CB 3.1Å; A1602-R1606 PolarHBondContact O-N 3.07Å; A1602-A1625 HydrophobicContact CB-CB 4.39Å |
| 1603 | N | 82.5 | Confident | 78.4 | Confident | 80 Ų | 80 | 52.6 Ų | 52.6 | 43% | 0.428 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 172.3 | -71.3 | -18.8 | 0 | 0 | 0 | 111.9 | T1599 L1600 L1601 C1605 R1606 D1607 | T1599-N1603 PolarHBondContact O-N 3.08Å; L1600-N1603 PolarHBondContact O-N 3.4Å; L1601-N1603 VanDerWaalsContact C-N 3.32Å; L1601-N1603 PolarHBondContact O-N 3.11Å; N1603-C1605 VanDerWaalsContact C-N 3.32Å; N1603-C1605 PolarHBondContact O-N 2.98Å; N1603-R1606 CarbonylContact O-C 3.56Å; N1603-R1606 WeakPolarHBondContact O-CA 3.43Å; N1603-R1606 WeakPolarHBondContact O-CB 3.43Å; N1603-R1606 PolarHBondContact O-N 3.19Å; N1603-D1607 VanDerWaalsContact O-CG 3.23Å; N1603-D1607 PolarHBondContact O-N 3.29Å |
| 1604 | I | 82.3 | Confident | 77.2 | Confident | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 175.4 | -70.1 | 164.7 | 0 | 0 | 0 | 110.8 | I1558 R1562 F1563 L1600 L1601 R1606 D1607 A1608 | I1558-I1604 HydrophobicContact CB-CG2 4.45Å; I1558-I1604 HydrophobicContact CD1-CG2 4.48Å; I1558-I1604 HydrophobicContact CG1-CG2 4.09Å; I1558-I1604 HydrophobicContact CG2-CG2 3.73Å; R1562-I1604 HydrophobicContact CG-CD1 4.23Å; F1563-I1604 HydrophobicContact CD2-CG2 4.38Å; L1600-I1604 HydrophobicContact CD1-CD1 4.18Å; L1600-I1604 HydrophobicContact CD1-CG1 4.27Å; L1600-I1604 HydrophobicContact CG-CD1 4.07Å; L1600-I1604 WeakPolarHBondContact O-CG1 3.38Å; L1600-I1604 PolarHBondContact O-N 3.16Å; L1601-I1604 PolarHBondContact O-N 3.07Å; I1604-R1606 VanDerWaalsContact C-N 3.34Å; I1604-R1606 PolarHBondContact O-N 2.68Å; I1604-D1607 PolarHBondContact O-N 3.25Å; I1604-A1608 WeakPolarHBondContact O-CB 3.48Å; I1604-A1608 PolarHBondContact O-N 3.45Å |
| 1605 | C | 81.6 | Confident | 75.7 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 174.7 | -65.3 | 0 | 0 | 0 | 0 | 112 | L1601 N1603 S1609 F1621 A1625 | L1601-C1605 PolarHBondContact O-N 2.85Å; L1601-C1605 PolarHBondContact O-SG 2.95Å; N1603-C1605 VanDerWaalsContact C-N 3.32Å; N1603-C1605 PolarHBondContact O-N 2.98Å; C1605-S1609 VanDerWaalsContact O-CB 3.26Å; C1605-S1609 WeakPolarHBondContact O-CB 3.42Å; C1605-S1609 PolarHBondContact O-N 2.98Å; C1605-F1621 HydrophobicContact CB-CB 4.34Å; C1605-F1621 HydrophobicContact CB-CD1 4.42Å; C1605-F1621 WeakPolarHBondContact O-CB 3.4Å; C1605-A1625 HydrophobicContact CB-CB 3.88Å |
| 1606 | R | 77.5 | Confident | 74.7 | Confident | 179 Ų | 179 | 56 Ų | 56 | 68% | 0.675 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.2 | -45 | 175.8 | -177.1 | 177.9 | 179.2 | 158.2 | 1.1 | 111.6 | A1602 N1603 I1604 S1609 S1610 | A1602-R1606 WeakPolarHBondContact O-CB 3.1Å; A1602-R1606 PolarHBondContact O-N 3.07Å; N1603-R1606 CarbonylContact O-C 3.56Å; N1603-R1606 WeakPolarHBondContact O-CA 3.43Å; N1603-R1606 WeakPolarHBondContact O-CB 3.43Å; N1603-R1606 PolarHBondContact O-N 3.19Å; I1604-R1606 VanDerWaalsContact C-N 3.34Å; I1604-R1606 PolarHBondContact O-N 2.68Å; R1606-S1609 WeakPolarHBondContact CA-OG 3.36Å; R1606-S1609 PolarHBondContact O-N 3.46Å; R1606-S1609 PolarHBondContact O-OG 3.47Å; R1606-S1610 PolarHBondContact O-N 3.41Å; R1606-S1610 VanDerWaalsContact O-N 3.07Å |
| 1607 | D | 72.4 | Confident | 73.6 | Confident | 84 Ų | 84 | 48.7 Ų | 48.7 | 45% | 0.449 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 178.1 | -64.4 | -18.9 | 0 | 0 | 0 | 109.9 | N1603 I1604 S1609 S1610 Q1611 | N1603-D1607 VanDerWaalsContact O-CG 3.23Å; N1603-D1607 PolarHBondContact O-N 3.29Å; I1604-D1607 PolarHBondContact O-N 3.25Å; D1607-S1609 VanDerWaalsContact C-N 3.34Å; D1607-S1609 PolarHBondContact O-N 3.03Å; D1607-S1610 WeakPolarHBondContact O-CA 3.49Å; D1607-S1610 WeakPolarHBondContact O-CB 3.4Å; D1607-S1610 PolarHBondContact O-N 3.28Å; D1607-S1610 PolarHBondContact O-OG 2.89Å; D1607-Q1611 PolarHBondContact O-N 3.46Å; D1607-Q1611 VanDerWaalsContact O-N 3.12Å |
| 1608 | A | 72.3 | Confident | 72.5 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1558 I1604 S1610 Q1611 T1612 F1621 | I1558-A1608 HydrophobicContact CD1-CB 3.7Å; I1558-A1608 HydrophobicContact CG1-CB 3.56Å; I1604-A1608 WeakPolarHBondContact O-CB 3.48Å; I1604-A1608 PolarHBondContact O-N 3.45Å; A1608-S1610 PolarHBondContact O-N 3.32Å; A1608-Q1611 PolarHBondContact O-N 2.99Å; A1608-T1612 VanDerWaalsContact O-CB 3.28Å; A1608-T1612 WeakPolarHBondContact O-CB 3.34Å; A1608-T1612 PolarHBondContact O-N 2.98Å; A1608-T1612 PolarHBondContact O-OG1 3.34Å; A1608-F1621 HydrophobicContact CB-CD1 4.28Å; A1608-F1621 HydrophobicContact CB-CD2 4Å; A1608-F1621 HydrophobicContact CB-CE1 4.22Å; A1608-F1621 HydrophobicContact CB-CE2 3.9Å; A1608-F1621 HydrophobicContact CB-CG 4.21Å; A1608-F1621 HydrophobicContact CB-CZ 4.02Å |
| 1609 | S | 74.2 | Confident | 71.6 | Confident | 12 Ų | 12 | 55 Ų | 55 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.7 | -18.3 | 175.6 | 83.2 | 0 | 0 | 0 | 0 | 113.9 | C1605 R1606 D1607 K1618 | C1605-S1609 VanDerWaalsContact O-CB 3.26Å; C1605-S1609 WeakPolarHBondContact O-CB 3.42Å; C1605-S1609 PolarHBondContact O-N 2.98Å; R1606-S1609 WeakPolarHBondContact CA-OG 3.36Å; R1606-S1609 PolarHBondContact O-N 3.46Å; R1606-S1609 PolarHBondContact O-OG 3.47Å; D1607-S1609 VanDerWaalsContact C-N 3.34Å; D1607-S1609 PolarHBondContact O-N 3.03Å; S1609-K1618 VanDerWaalsContact O-CD 3.29Å; S1609-K1618 WeakPolarHBondContact O-CD 3.31Å; S1609-K1618 WeakPolarHBondContact O-CE 3.38Å; S1609-K1618 WeakPolarHBondContact O-CG 3.41Å |
| 1610 | S | 67.5 | Low | 70.8 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 43% | 0.427 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -89.1 | -27.6 | 175.3 | 78.2 | 0 | 0 | 0 | 0 | 113 | R1606 D1607 A1608 | R1606-S1610 PolarHBondContact O-N 3.41Å; R1606-S1610 VanDerWaalsContact O-N 3.07Å; D1607-S1610 WeakPolarHBondContact O-CA 3.49Å; D1607-S1610 WeakPolarHBondContact O-CB 3.4Å; D1607-S1610 PolarHBondContact O-N 3.28Å; D1607-S1610 PolarHBondContact O-OG 2.89Å; A1608-S1610 PolarHBondContact O-N 3.32Å |
| 1611 | Q | 65.3 | Low | 70.4 | Confident | 123 Ų | 123 | 49.2 Ų | 49.2 | 58% | 0.575 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -95.6 | -23.8 | -178.9 | -64.8 | 178 | 11.4 | 0 | 0 | 113.4 | L1557 D1607 A1608 | L1557-Q1611 HydrophobicContact CD2-CB 3.41Å; L1557-Q1611 VanDerWaalsContact CD2-CB 3.41Å; D1607-Q1611 PolarHBondContact O-N 3.46Å; D1607-Q1611 VanDerWaalsContact O-N 3.12Å; A1608-Q1611 PolarHBondContact O-N 2.99Å |
| 1612 | T | 63.2 | Low | 70.1 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | trans | -75.3 | 126.8 | 178.9 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | A1608 D1614 A1617 F1677 | A1608-T1612 VanDerWaalsContact O-CB 3.28Å; A1608-T1612 WeakPolarHBondContact O-CB 3.34Å; A1608-T1612 PolarHBondContact O-N 2.98Å; A1608-T1612 PolarHBondContact O-OG1 3.34Å; T1612-D1614 HydrophobicContact CG2-CB 4.13Å; T1612-A1617 HydrophobicContact CG2-CB 3.77Å; T1612-F1677 HydrophobicContact CG2-CE1 4.41Å | ||
| 1613 | S | 55.2 | Low | 69.7 | Low | 104 Ų | 104 | 53.3 Ų | 53.3 | 73% | 0.727 | 28% | 0.284 | S | S | * | . | trans | -81.1 | -25.2 | 177.7 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | A1615 | S1613-A1615 PolarHBondContact O-N 2.81Š| ||
| 1614 | D | 57.7 | Low | 69.6 | Low | 71 Ų | 71 | 49.8 Ų | 49.8 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | trans | -70.4 | 125 | 174.3 | 172.7 | 32.8 | 0 | 0 | 0 | 111.9 | T1612 G1616 A1617 K1618 | T1612-D1614 HydrophobicContact CG2-CB 4.13Å; D1614-G1616 VanDerWaalsContact C-N 3.32Å; D1614-G1616 PolarHBondContact OD1-N 2.81Å; D1614-A1617 HydrophobicContact CB-CB 4.17Å; D1614-A1617 WeakPolarHBondContact OD2-CB 3.33Å; D1614-A1617 PolarHBondContact OD2-N 3.47Å; D1614-K1618 WeakPolarHBondContact O-CB 3.24Å; D1614-K1618 PolarHBondContact O-N 3.38Å | ||
| 1615 | A | 54.8 | Low | 69.5 | Low | 78 Ų | 78 | 49.9 Ų | 49.9 | 65% | 0.645 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68 | -30.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1613 R1619 | S1613-A1615 PolarHBondContact O-N 2.81Å; A1615-R1619 WeakPolarHBondContact O-CB 3.31Å; A1615-R1619 PolarHBondContact O-N 3.07Å; A1615-R1619 VanDerWaalsContact O-N 3.11Å |
| 1616 | G | 60.5 | Low | 69.6 | Low | 12 Ų | 12 | 58.6 Ų | 58.6 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -62.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y1197 D1614 K1618 R1619 H1620 | Y1197-G1616 WeakPolarHBondContact OH-CA 3.48Å; Y1197-G1616 PolarHBondContact OH-O 3.38Å; D1614-G1616 VanDerWaalsContact C-N 3.32Å; D1614-G1616 PolarHBondContact OD1-N 2.81Å; G1616-K1618 VanDerWaalsContact C-N 3.28Å; G1616-K1618 PolarHBondContact O-N 2.9Å; G1616-R1619 CarbonylContact O-C 3.54Å; G1616-R1619 WeakPolarHBondContact O-CA 3.42Å; G1616-R1619 WeakPolarHBondContact O-CB 3.41Å; G1616-R1619 PolarHBondContact O-N 3.16Å; G1616-H1620 PolarHBondContact O-CD2 2.81Å; G1616-H1620 PolarHBondContact O-N 2.86Å |
| 1617 | A | 63.2 | Low | 69.6 | Low | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.7 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1612 D1614 R1619 H1620 F1621 F1671 F1677 | T1612-A1617 HydrophobicContact CG2-CB 3.77Å; D1614-A1617 HydrophobicContact CB-CB 4.17Å; D1614-A1617 WeakPolarHBondContact OD2-CB 3.33Å; D1614-A1617 PolarHBondContact OD2-N 3.47Å; A1617-R1619 VanDerWaalsContact C-N 3.35Å; A1617-R1619 PolarHBondContact O-N 3.24Å; A1617-H1620 PolarHBondContact O-N 3.45Å; A1617-F1621 HydrophobicContact CB-CE2 4.48Å; A1617-F1621 WeakPolarHBondContact O-CD2 3.49Å; A1617-F1621 PolarHBondContact O-N 2.8Å; A1617-F1671 HydrophobicContact CB-CZ 3.91Å; A1617-F1677 HydrophobicContact CB-CE1 3.99Å; A1617-F1677 HydrophobicContact CB-CZ 3.81Å |
| 1618 | K | 66.5 | Low | 70.1 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 29% | 0.291 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.4 | -45 | 171.4 | 178.6 | 168.6 | -172.8 | 168.2 | 0 | 112.4 | S1609 D1614 G1616 I1622 | S1609-K1618 VanDerWaalsContact O-CD 3.29Å; S1609-K1618 WeakPolarHBondContact O-CD 3.31Å; S1609-K1618 WeakPolarHBondContact O-CE 3.38Å; S1609-K1618 WeakPolarHBondContact O-CG 3.41Å; D1614-K1618 WeakPolarHBondContact O-CB 3.24Å; D1614-K1618 PolarHBondContact O-N 3.38Å; G1616-K1618 VanDerWaalsContact C-N 3.28Å; G1616-K1618 PolarHBondContact O-N 2.9Å; K1618-I1622 HydrophobicContact CG-CD1 4.21Å; K1618-I1622 WeakPolarHBondContact O-CD1 3.44Å; K1618-I1622 VanDerWaalsContact O-CG1 3.32Å; K1618-I1622 WeakPolarHBondContact O-CG1 3.35Å; K1618-I1622 PolarHBondContact O-N 3.31Å; K1618-I1622 VanDerWaalsContact O-N 3.15Å |
| 1619 | R | 67.3 | Low | 70.6 | Confident | 106 Ų | 106 | 51.9 Ų | 51.9 | 40% | 0.4 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 175.8 | -173.1 | 170 | 174 | 156.1 | -14.1 | 111.3 | D1194 A1615 G1616 A1617 I1622 N1623 | D1194-R1619 IonicContact OD2-NH2 2.77Å; D1194-R1619 PolarHBondContact OD2-NH2 3.47Å; A1615-R1619 WeakPolarHBondContact O-CB 3.31Å; A1615-R1619 PolarHBondContact O-N 3.07Å; A1615-R1619 VanDerWaalsContact O-N 3.11Å; G1616-R1619 CarbonylContact O-C 3.54Å; G1616-R1619 WeakPolarHBondContact O-CA 3.42Å; G1616-R1619 WeakPolarHBondContact O-CB 3.41Å; G1616-R1619 PolarHBondContact O-N 3.16Å; A1617-R1619 VanDerWaalsContact C-N 3.35Å; A1617-R1619 PolarHBondContact O-N 3.24Å; R1619-I1622 PolarHBondContact O-N 3.26Å; R1619-N1623 WeakPolarHBondContact O-CB 3.36Å; R1619-N1623 PolarHBondContact O-N 3.06Å; R1619-N1623 PolarHBondContact O-ND2 2.9Å |
| 1620 | H | 70.1 | Confident | 71.1 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -47 | 173.2 | -72.4 | -70.5 | 0 | 0 | 0 | 112.5 | Y1197 G1616 A1617 I1622 N1623 Y1624 F1671 | Y1197-H1620 AromaticContact CE1-CE1 3.93Å; Y1197-H1620 AromaticContact CE1-NE2 3.53Å; Y1197-H1620 AromaticContact CZ-NE2 3.63Å; Y1197-H1620 PolarHBondContact OH-CD2 3.15Å; Y1197-H1620 VanDerWaalsContact OH-CD2 3.31Å; Y1197-H1620 PolarHBondContact OH-NE2 2.88Å; G1616-H1620 PolarHBondContact O-CD2 2.81Å; G1616-H1620 PolarHBondContact O-N 2.86Å; A1617-H1620 PolarHBondContact O-N 3.45Å; H1620-I1622 VanDerWaalsContact C-N 3.32Å; H1620-I1622 PolarHBondContact O-N 2.71Å; H1620-N1623 PolarHBondContact O-N 2.65Å; H1620-N1623 VanDerWaalsContact O-N 3.14Å; H1620-Y1624 HydrophobicContact CB-CD2 4.25Å; H1620-Y1624 HydrophobicContact CB-CE2 3.99Å; H1620-Y1624 WeakPolarHBondContact O-CD2 3.42Å; H1620-Y1624 PolarHBondContact O-N 3.09Å; H1620-F1671 HydrophobicContact CB-CE1 3.95Å; H1620-F1671 HydrophobicContact CB-CE2 4.15Å; H1620-F1671 HydrophobicContact CB-CZ 3.7Å |
| 1621 | F | 76.2 | Confident | 71.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -41 | 175.5 | -74.3 | -53 | 0 | 0 | 0 | 112.8 | I1558 C1605 A1608 A1617 A1625 F1671 V1672 F1677 | I1558-F1621 HydrophobicContact CD1-CD1 4.24Å; I1558-F1621 HydrophobicContact CD1-CE1 3.33Å; I1558-F1621 HydrophobicContact CD1-CZ 3.6Å; C1605-F1621 HydrophobicContact CB-CB 4.34Å; C1605-F1621 HydrophobicContact CB-CD1 4.42Å; C1605-F1621 WeakPolarHBondContact O-CB 3.4Å; A1608-F1621 HydrophobicContact CB-CD1 4.28Å; A1608-F1621 HydrophobicContact CB-CD2 4Å; A1608-F1621 HydrophobicContact CB-CE1 4.22Å; A1608-F1621 HydrophobicContact CB-CE2 3.9Å; A1608-F1621 HydrophobicContact CB-CG 4.21Å; A1608-F1621 HydrophobicContact CB-CZ 4.02Å; A1617-F1621 HydrophobicContact CB-CE2 4.48Å; A1617-F1621 WeakPolarHBondContact O-CD2 3.49Å; A1617-F1621 PolarHBondContact O-N 2.8Å; F1621-A1625 VanDerWaalsContact O-CB 3.22Å; F1621-A1625 WeakPolarHBondContact O-CB 3.1Å; F1621-A1625 PolarHBondContact O-N 3.44Å; F1621-F1671 HydrophobicContact CD1-CD1 4.37Å; F1621-F1671 HydrophobicContact CD1-CE1 4.09Å; F1621-F1671 HydrophobicContact CD2-CE1 4.43Å; F1621-F1671 AromaticContact CE1-CD1 3.85Å; F1621-F1671 HydrophobicContact CE1-CD1 3.85Å; F1621-F1671 AromaticContact CE1-CE1 3.67Å; F1621-F1671 HydrophobicContact CE1-CE1 3.67Å; F1621-F1671 HydrophobicContact CE2-CE1 4.07Å; F1621-F1671 HydrophobicContact CG-CE1 4.43Å; F1621-F1671 HydrophobicContact CZ-CD1 4.2Å; F1621-F1671 AromaticContact CZ-CE1 3.66Å; F1621-F1671 HydrophobicContact CZ-CE1 3.66Å; F1621-V1672 HydrophobicContact CE1-CG2 4.09Å; F1621-F1677 HydrophobicContact CE2-CD1 4.27Å; F1621-F1677 AromaticContact CE2-CE1 3.82Å; F1621-F1677 HydrophobicContact CE2-CE1 3.82Å; F1621-F1677 HydrophobicContact CE2-CZ 4.14Å; F1621-F1677 HydrophobicContact CZ-CD1 4.07Å; F1621-F1677 HydrophobicContact CZ-CD2 4.41Å; F1621-F1677 AromaticContact CZ-CE1 3.89Å; F1621-F1677 HydrophobicContact CZ-CE1 3.89Å; F1621-F1677 HydrophobicContact CZ-CE2 4.24Å; F1621-F1677 HydrophobicContact CZ-CG 4.35Å; F1621-F1677 AromaticContact CZ-CZ 3.99Å; F1621-F1677 HydrophobicContact CZ-CZ 3.99Å |
| 1622 | I | 78.7 | Confident | 72.8 | Confident | 87 Ų | 87 | 46.7 Ų | 46.7 | 45% | 0.446 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.5 | -67.9 | 166 | 0 | 0 | 0 | 111.2 | K1618 R1619 H1620 R1626 | K1618-I1622 HydrophobicContact CG-CD1 4.21Å; K1618-I1622 WeakPolarHBondContact O-CD1 3.44Å; K1618-I1622 VanDerWaalsContact O-CG1 3.32Å; K1618-I1622 WeakPolarHBondContact O-CG1 3.35Å; K1618-I1622 PolarHBondContact O-N 3.31Å; K1618-I1622 VanDerWaalsContact O-N 3.15Å; R1619-I1622 PolarHBondContact O-N 3.26Å; H1620-I1622 VanDerWaalsContact C-N 3.32Å; H1620-I1622 PolarHBondContact O-N 2.71Å; I1622-R1626 WeakPolarHBondContact O-CB 3.44Å; I1622-R1626 PolarHBondContact O-N 2.93Å |
| 1623 | N | 75.1 | Confident | 73.8 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.8 | -47.9 | 178.9 | -70 | -30.7 | 0 | 0 | 0 | 112 | Q1192 R1619 H1620 A1625 R1626 D1627 | Q1192-N1623 PolarHBondContact NE2-ND2 3.06Å; R1619-N1623 WeakPolarHBondContact O-CB 3.36Å; R1619-N1623 PolarHBondContact O-N 3.06Å; R1619-N1623 PolarHBondContact O-ND2 2.9Å; H1620-N1623 PolarHBondContact O-N 2.65Å; H1620-N1623 VanDerWaalsContact O-N 3.14Å; N1623-A1625 VanDerWaalsContact C-N 3.32Å; N1623-A1625 PolarHBondContact O-N 3.32Å; N1623-R1626 CarbonylContact O-C 3.49Å; N1623-R1626 WeakPolarHBondContact O-CA 3.49Å; N1623-R1626 WeakPolarHBondContact O-CB 3.47Å; N1623-R1626 PolarHBondContact O-N 3.09Å; N1623-D1627 VanDerWaalsContact O-CG 3.28Å; N1623-D1627 PolarHBondContact O-N 2.84Å |
| 1624 | Y | 80.9 | Confident | 75.2 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 175.5 | -68.4 | -52.7 | 0 | 0 | 0 | 112.1 | H1620 R1626 D1627 V1628 N1667 L1668 F1671 | H1620-Y1624 HydrophobicContact CB-CD2 4.25Å; H1620-Y1624 HydrophobicContact CB-CE2 3.99Å; H1620-Y1624 WeakPolarHBondContact O-CD2 3.42Å; H1620-Y1624 PolarHBondContact O-N 3.09Å; Y1624-R1626 VanDerWaalsContact C-N 3.33Å; Y1624-R1626 PolarHBondContact O-N 3.08Å; Y1624-D1627 PolarHBondContact O-N 3.19Å; Y1624-V1628 WeakPolarHBondContact O-CB 3.45Å; Y1624-V1628 VanDerWaalsContact O-CG2 3.29Å; Y1624-V1628 WeakPolarHBondContact O-CG2 3.27Å; Y1624-V1628 PolarHBondContact O-N 3.4Å; Y1624-N1667 HydrophobicContact CE1-CB 3.93Å; Y1624-L1668 HydrophobicContact CD1-CB 4.43Å; Y1624-L1668 HydrophobicContact CD2-CD1 3.83Å; Y1624-L1668 HydrophobicContact CG-CB 4.24Å; Y1624-L1668 HydrophobicContact CG-CD1 3.97Å; Y1624-F1671 HydrophobicContact CD2-CD1 4.15Å; Y1624-F1671 HydrophobicContact CD2-CG 4.43Å; Y1624-F1671 HydrophobicContact CE2-CB 3.8Å; Y1624-F1671 AromaticContact CE2-CD1 3.79Å; Y1624-F1671 HydrophobicContact CE2-CD1 3.79Å; Y1624-F1671 HydrophobicContact CE2-CD2 4.21Å; Y1624-F1671 HydrophobicContact CE2-CE1 4.45Å; Y1624-F1671 AromaticContact CE2-CG 3.66Å; Y1624-F1671 HydrophobicContact CE2-CG 3.66Å |
| 1625 | A | 80.1 | Confident | 76.5 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1602 C1605 F1621 N1623 A1629 | A1602-A1625 HydrophobicContact CB-CB 4.39Å; C1605-A1625 HydrophobicContact CB-CB 3.88Å; F1621-A1625 VanDerWaalsContact O-CB 3.22Å; F1621-A1625 WeakPolarHBondContact O-CB 3.1Å; F1621-A1625 PolarHBondContact O-N 3.44Å; N1623-A1625 VanDerWaalsContact C-N 3.32Å; N1623-A1625 PolarHBondContact O-N 3.32Å; A1625-A1629 VanDerWaalsContact O-CB 3.23Å; A1625-A1629 WeakPolarHBondContact O-CB 3.13Å; A1625-A1629 PolarHBondContact O-N 3.45Å |
| 1626 | R | 82.5 | Confident | 77.8 | Confident | 183 Ų | 183 | 42.2 Ų | 42.2 | 69% | 0.691 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -65.8 | -41.6 | 175.1 | 179.4 | -179.9 | 177 | 172.6 | -1.8 | 112.1 | I1622 N1623 Y1624 A1629 S1630 | I1622-R1626 WeakPolarHBondContact O-CB 3.44Å; I1622-R1626 PolarHBondContact O-N 2.93Å; N1623-R1626 CarbonylContact O-C 3.49Å; N1623-R1626 WeakPolarHBondContact O-CA 3.49Å; N1623-R1626 WeakPolarHBondContact O-CB 3.47Å; N1623-R1626 PolarHBondContact O-N 3.09Å; Y1624-R1626 VanDerWaalsContact C-N 3.33Å; Y1624-R1626 PolarHBondContact O-N 3.08Å; R1626-A1629 PolarHBondContact O-N 3.49Å; R1626-S1630 VanDerWaalsContact O-CB 3.24Å; R1626-S1630 WeakPolarHBondContact O-CB 3.23Å; R1626-S1630 PolarHBondContact O-N 3.49Å |
| 1627 | D | 79.1 | Confident | 78.9 | Confident | 69 Ų | 69 | 47.6 Ų | 47.6 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.1 | -44.7 | -179.6 | -67.9 | -18.4 | 0 | 0 | 0 | 111.2 | N1623 Y1624 A1629 S1630 S1631 | N1623-D1627 VanDerWaalsContact O-CG 3.28Å; N1623-D1627 PolarHBondContact O-N 2.84Å; Y1624-D1627 PolarHBondContact O-N 3.19Å; D1627-A1629 VanDerWaalsContact C-N 3.33Å; D1627-A1629 PolarHBondContact O-N 2.87Å; D1627-S1630 PolarHBondContact O-N 2.71Å; D1627-S1631 WeakPolarHBondContact O-CB 3.4Å; D1627-S1631 PolarHBondContact O-N 2.85Å; D1627-S1631 PolarHBondContact O-OG 2.64Å |
| 1628 | V | 82.7 | Confident | 79.7 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.9 | -43.9 | 171.8 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | T1598 Y1624 T1632 L1661 L1665 L1668 | T1598-V1628 HydrophobicContact CG2-CG1 3.96Å; Y1624-V1628 WeakPolarHBondContact O-CB 3.45Å; Y1624-V1628 VanDerWaalsContact O-CG2 3.29Å; Y1624-V1628 WeakPolarHBondContact O-CG2 3.27Å; Y1624-V1628 PolarHBondContact O-N 3.4Å; V1628-T1632 WeakPolarHBondContact O-CB 3.46Å; V1628-T1632 PolarHBondContact O-N 2.94Å; V1628-T1632 PolarHBondContact O-OG1 2.96Å; V1628-L1661 HydrophobicContact CG1-CD1 4.47Å; V1628-L1665 HydrophobicContact CG2-CD2 4.13Å; V1628-L1668 HydrophobicContact CG2-CD2 4.39Å |
| 1629 | A | 82.5 | Confident | 80.3 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 45% | 0.446 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.3 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1625 R1626 D1627 A1633 | A1625-A1629 VanDerWaalsContact O-CB 3.23Å; A1625-A1629 WeakPolarHBondContact O-CB 3.13Å; A1625-A1629 PolarHBondContact O-N 3.45Å; R1626-A1629 PolarHBondContact O-N 3.49Å; D1627-A1629 VanDerWaalsContact C-N 3.33Å; D1627-A1629 PolarHBondContact O-N 2.87Å; A1629-A1633 VanDerWaalsContact O-CB 3.27Å; A1629-A1633 WeakPolarHBondContact O-CB 3.44Å; A1629-A1633 PolarHBondContact O-N 2.95Å |
| 1630 | S | 84 | Confident | 81 | Confident | 60 Ų | 60 | 46.6 Ų | 46.6 | 42% | 0.42 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.6 | -48.8 | 179.2 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | R1626 D1627 T1632 A1633 N1634 | R1626-S1630 VanDerWaalsContact O-CB 3.24Å; R1626-S1630 WeakPolarHBondContact O-CB 3.23Å; R1626-S1630 PolarHBondContact O-N 3.49Å; D1627-S1630 PolarHBondContact O-N 2.71Å; S1630-T1632 VanDerWaalsContact C-N 3.35Å; S1630-T1632 PolarHBondContact O-N 2.91Å; S1630-A1633 PolarHBondContact O-N 3.27Å; S1630-N1634 PolarHBondContact O-N 3.37Å; S1630-N1634 PolarHBondContact O-ND2 3.45Å |
| 1631 | S | 83.9 | Confident | 81.5 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 12% | 0.119 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 173.6 | -66.9 | 0 | 0 | 0 | 0 | 111.4 | D1627 A1633 N1634 L1635 | D1627-S1631 WeakPolarHBondContact O-CB 3.4Å; D1627-S1631 PolarHBondContact O-N 2.85Å; D1627-S1631 PolarHBondContact O-OG 2.64Å; S1631-A1633 PolarHBondContact O-N 3.01Å; S1631-N1634 PolarHBondContact O-N 3.18Å; S1631-L1635 WeakPolarHBondContact O-CB 3.37Å; S1631-L1635 PolarHBondContact O-N 3.48Å |
| 1632 | T | 85.2 | Confident | 81.4 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 173.2 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | T1598 V1628 S1630 N1634 L1635 I1636 | T1598-T1632 WeakPolarHBondContact CB-OG1 3.22Å; T1598-T1632 WeakPolarHBondContact CG2-OG1 3.28Å; T1598-T1632 WeakPolarHBondContact OG1-CG2 3.29Å; T1598-T1632 PolarHBondContact OG1-OG1 3.39Å; T1598-T1632 VanDerWaalsContact OG1-OG1 3.1Å; V1628-T1632 WeakPolarHBondContact O-CB 3.46Å; V1628-T1632 PolarHBondContact O-N 2.94Å; V1628-T1632 PolarHBondContact O-OG1 2.96Å; S1630-T1632 VanDerWaalsContact C-N 3.35Å; S1630-T1632 PolarHBondContact O-N 2.91Å; T1632-N1634 VanDerWaalsContact C-N 3.32Å; T1632-N1634 PolarHBondContact O-N 3.42Å; T1632-L1635 PolarHBondContact O-N 3.34Å; T1632-I1636 HydrophobicContact CG2-CD1 3.69Å; T1632-I1636 HydrophobicContact CG2-CG1 4.29Å; T1632-I1636 WeakPolarHBondContact O-CB 3.48Å; T1632-I1636 VanDerWaalsContact O-CG1 3.29Å; T1632-I1636 WeakPolarHBondContact O-CG1 3.35Å; T1632-I1636 PolarHBondContact O-N 3.1Å |
| 1633 | A | 84.5 | Confident | 81.1 | Confident | 43 Ų | 43 | 49.1 Ų | 49.1 | 36% | 0.355 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.6 | -34.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1629 S1630 S1631 K1637 | A1629-A1633 VanDerWaalsContact O-CB 3.27Å; A1629-A1633 WeakPolarHBondContact O-CB 3.44Å; A1629-A1633 PolarHBondContact O-N 2.95Å; S1630-A1633 PolarHBondContact O-N 3.27Å; S1631-A1633 PolarHBondContact O-N 3.01Å; A1633-K1637 VanDerWaalsContact O-CG 3.31Å; A1633-K1637 WeakPolarHBondContact O-CG 3.46Å; A1633-K1637 PolarHBondContact O-N 2.84Å |
| 1634 | N | 83.7 | Confident | 81 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.5 | -42.9 | 174.9 | -68.5 | -22.9 | 0 | 0 | 0 | 111.6 | S1630 S1631 T1632 I1636 K1637 A1638 | S1630-N1634 PolarHBondContact O-N 3.37Å; S1630-N1634 PolarHBondContact O-ND2 3.45Å; S1631-N1634 PolarHBondContact O-N 3.18Å; T1632-N1634 VanDerWaalsContact C-N 3.32Å; T1632-N1634 PolarHBondContact O-N 3.42Å; N1634-I1636 VanDerWaalsContact C-N 3.34Å; N1634-I1636 PolarHBondContact O-N 3.3Å; N1634-K1637 WeakPolarHBondContact O-CB 3.45Å; N1634-K1637 PolarHBondContact O-N 3.39Å; N1634-K1637 VanDerWaalsContact O-N 3.12Å; N1634-K1637 PolarHBondContact OD1-NZ 2.89Å; N1634-A1638 PolarHBondContact O-N 3.01Å |
| 1635 | L | 84.2 | Confident | 80.4 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 171.8 | -177.9 | 61.6 | 0 | 0 | 0 | 111.9 | I1594 S1631 T1632 K1637 A1638 I1639 C1657 T1658 L1661 | I1594-L1635 HydrophobicContact CD1-CD2 4Å; I1594-L1635 HydrophobicContact CG2-CD2 4.34Å; S1631-L1635 WeakPolarHBondContact O-CB 3.37Å; S1631-L1635 PolarHBondContact O-N 3.48Å; T1632-L1635 PolarHBondContact O-N 3.34Å; L1635-K1637 VanDerWaalsContact C-N 3.31Å; L1635-K1637 PolarHBondContact O-N 3.5Å; L1635-A1638 PolarHBondContact O-N 3.08Å; L1635-I1639 HydrophobicContact CD1-CD1 3.98Å; L1635-I1639 HydrophobicContact CD1-CG1 4.26Å; L1635-I1639 HydrophobicContact CD2-CD1 4.47Å; L1635-I1639 HydrophobicContact CG-CD1 3.8Å; L1635-I1639 HydrophobicContact CG-CG1 4.45Å; L1635-I1639 WeakPolarHBondContact O-CB 3.47Å; L1635-I1639 VanDerWaalsContact O-CG1 3.27Å; L1635-I1639 WeakPolarHBondContact O-CG1 3.47Å; L1635-I1639 PolarHBondContact O-N 2.94Å; L1635-C1657 HydrophobicContact CB-CB 4.33Å; L1635-C1657 HydrophobicContact CD1-CB 3.87Å; L1635-T1658 HydrophobicContact CD1-CG2 4.04Å; L1635-T1658 HydrophobicContact CD2-CG2 4.37Å; L1635-L1661 HydrophobicContact CD2-CD2 3.97Å |
| 1636 | I | 84 | Confident | 80.1 | Confident | 57 Ų | 57 | 66 Ų | 66 | 29% | 0.292 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64 | -33.6 | 174.7 | -71 | 170 | 0 | 0 | 0 | 111.9 | A1595 T1632 N1634 K1640 | A1595-I1636 HydrophobicContact CB-CD1 4.2Å; T1632-I1636 HydrophobicContact CG2-CD1 3.69Å; T1632-I1636 HydrophobicContact CG2-CG1 4.29Å; T1632-I1636 WeakPolarHBondContact O-CB 3.48Å; T1632-I1636 VanDerWaalsContact O-CG1 3.29Å; T1632-I1636 WeakPolarHBondContact O-CG1 3.35Å; T1632-I1636 PolarHBondContact O-N 3.1Å; N1634-I1636 VanDerWaalsContact C-N 3.34Å; N1634-I1636 PolarHBondContact O-N 3.3Å; I1636-K1640 HydrophobicContact CG2-CD 4.23Å; I1636-K1640 WeakPolarHBondContact O-CB 3.36Å; I1636-K1640 VanDerWaalsContact O-CG 3.27Å; I1636-K1640 WeakPolarHBondContact O-CG 3.29Å; I1636-K1640 PolarHBondContact O-N 3.02Å |
| 1637 | K | 83.5 | Confident | 79.7 | Confident | 126 Ų | 126 | 60 Ų | 60 | 55% | 0.548 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -48.9 | 172.4 | -70.8 | 165.6 | -164.1 | 161.4 | 0 | 110.8 | A1633 N1634 L1635 I1639 K1640 V1641 | A1633-K1637 VanDerWaalsContact O-CG 3.31Å; A1633-K1637 WeakPolarHBondContact O-CG 3.46Å; A1633-K1637 PolarHBondContact O-N 2.84Å; N1634-K1637 WeakPolarHBondContact O-CB 3.45Å; N1634-K1637 PolarHBondContact O-N 3.39Å; N1634-K1637 VanDerWaalsContact O-N 3.12Å; N1634-K1637 PolarHBondContact OD1-NZ 2.89Å; L1635-K1637 VanDerWaalsContact C-N 3.31Å; L1635-K1637 PolarHBondContact O-N 3.5Å; K1637-I1639 VanDerWaalsContact C-N 3.33Å; K1637-I1639 PolarHBondContact O-N 3.03Å; K1637-K1640 PolarHBondContact O-N 3.44Å; K1637-K1640 VanDerWaalsContact O-N 3.16Å; K1637-V1641 WeakPolarHBondContact O-CG2 3.29Å; K1637-V1641 PolarHBondContact O-N 3.23Å |
| 1638 | A | 80.1 | Confident | 79.3 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 5% | 0.05 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1634 L1635 K1640 V1641 L1642 C1654 C1657 | N1634-A1638 PolarHBondContact O-N 3.01Å; L1635-A1638 PolarHBondContact O-N 3.08Å; A1638-K1640 PolarHBondContact O-N 3.12Å; A1638-V1641 WeakPolarHBondContact O-CB 3.37Å; A1638-V1641 PolarHBondContact O-N 3.05Å; A1638-V1641 VanDerWaalsContact O-N 3.15Å; A1638-L1642 WeakPolarHBondContact O-CB 3.47Å; A1638-L1642 PolarHBondContact O-N 3.04Å; A1638-C1654 VanDerWaalsContact C-SG 3.54Å; A1638-C1657 HydrophobicContact CB-CB 4.5Å |
| 1639 | I | 78.5 | Confident | 78.9 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.6 | -35.2 | 176.4 | -67.8 | 171.4 | 0 | 0 | 0 | 112 | I1577 I1587 A1591 L1635 K1637 L1642 D1643 | I1577-I1639 HydrophobicContact CD1-CD1 4.29Å; I1587-I1639 HydrophobicContact CG2-CG2 4.35Å; A1591-I1639 HydrophobicContact CB-CD1 3.78Å; A1591-I1639 HydrophobicContact CB-CG2 4.06Å; L1635-I1639 HydrophobicContact CD1-CD1 3.98Å; L1635-I1639 HydrophobicContact CD1-CG1 4.26Å; L1635-I1639 HydrophobicContact CD2-CD1 4.47Å; L1635-I1639 HydrophobicContact CG-CD1 3.8Å; L1635-I1639 HydrophobicContact CG-CG1 4.45Å; L1635-I1639 WeakPolarHBondContact O-CB 3.47Å; L1635-I1639 VanDerWaalsContact O-CG1 3.27Å; L1635-I1639 WeakPolarHBondContact O-CG1 3.47Å; L1635-I1639 PolarHBondContact O-N 2.94Å; K1637-I1639 VanDerWaalsContact C-N 3.33Å; K1637-I1639 PolarHBondContact O-N 3.03Å; I1639-L1642 PolarHBondContact O-N 3.37Å; I1639-D1643 WeakPolarHBondContact O-CB 3.49Å; I1639-D1643 PolarHBondContact O-N 3.25Å |
| 1640 | K | 80.8 | Confident | 78.5 | Confident | 136 Ų | 136 | 64.6 Ų | 64.6 | 59% | 0.591 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.6 | -31.8 | 172.5 | -78 | 176 | 178.8 | -175.2 | 0 | 113.3 | I1636 K1637 A1638 H1644 | I1636-K1640 HydrophobicContact CG2-CD 4.23Å; I1636-K1640 WeakPolarHBondContact O-CB 3.36Å; I1636-K1640 VanDerWaalsContact O-CG 3.27Å; I1636-K1640 WeakPolarHBondContact O-CG 3.29Å; I1636-K1640 PolarHBondContact O-N 3.02Å; K1637-K1640 PolarHBondContact O-N 3.44Å; K1637-K1640 VanDerWaalsContact O-N 3.16Å; A1638-K1640 PolarHBondContact O-N 3.12Å; K1640-H1644 PolarHBondContact O-N 3.27Å |
| 1641 | V | 80.3 | Confident | 77.9 | Confident | 66 Ų | 66 | 63.1 Ų | 63.1 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.5 | -42 | 171.3 | 173.3 | 0 | 0 | 0 | 0 | 109.7 | K1637 A1638 D1643 H1644 E1645 | K1637-V1641 WeakPolarHBondContact O-CG2 3.29Å; K1637-V1641 PolarHBondContact O-N 3.23Å; A1638-V1641 WeakPolarHBondContact O-CB 3.37Å; A1638-V1641 PolarHBondContact O-N 3.05Å; A1638-V1641 VanDerWaalsContact O-N 3.15Å; V1641-D1643 PolarHBondContact O-N 3.49Å; V1641-H1644 PolarHBondContact O-N 3.42Å; V1641-E1645 PolarHBondContact O-N 3.28Å |
| 1642 | L | 75.1 | Confident | 77.6 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.3 | -33.9 | 176 | -174.8 | 68.9 | 0 | 0 | 0 | 113.7 | I1587 A1638 I1639 H1644 E1645 F1646 N1650 L1651 | I1587-L1642 HydrophobicContact CD1-CD2 4.14Å; I1587-L1642 HydrophobicContact CG2-CD2 4.18Å; A1638-L1642 WeakPolarHBondContact O-CB 3.47Å; A1638-L1642 PolarHBondContact O-N 3.04Å; I1639-L1642 PolarHBondContact O-N 3.37Å; L1642-H1644 VanDerWaalsContact C-N 3.33Å; L1642-E1645 CarbonylContact O-C 3.53Å; L1642-E1645 VanDerWaalsContact O-C 3.25Å; L1642-E1645 PolarHBondContact O-N 3.05Å; L1642-F1646 HydrophobicContact CD1-CD2 4.11Å; L1642-F1646 HydrophobicContact CG-CD2 4.22Å; L1642-F1646 PolarHBondContact O-N 2.9Å; L1642-N1650 HydrophobicContact CB-CB 4.43Å; L1642-N1650 HydrophobicContact CD1-CB 3.79Å; L1642-L1651 HydrophobicContact CD1-CD2 3.96Å; L1642-L1651 HydrophobicContact CD1-CG 3.84Å; L1642-L1651 HydrophobicContact CD2-CD2 3.71Å; L1642-L1651 HydrophobicContact CD2-CG 4.48Å; L1642-L1651 HydrophobicContact CG-CD2 4.49Å |
| 1643 | D | 72.9 | Confident | 77.2 | Confident | 72 Ų | 72 | 69.7 Ų | 69.7 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.5 | -31.5 | 175.2 | -170.1 | 46.8 | 0 | 0 | 0 | 112.3 | Q1584 I1639 V1641 | Q1584-D1643 PolarHBondContact NE2-OD1 2.87Å; I1639-D1643 WeakPolarHBondContact O-CB 3.49Å; I1639-D1643 PolarHBondContact O-N 3.25Å; V1641-D1643 PolarHBondContact O-N 3.49Å |
| 1644 | H | 72.8 | Confident | 76.8 | Confident | 172 Ų | 172 | 67.7 Ų | 67.7 | 80% | 0.796 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -80.9 | -37.7 | 170.9 | -86.4 | -55.3 | 0 | 0 | 0 | 113.3 | K1640 V1641 L1642 | K1640-H1644 PolarHBondContact O-N 3.27Å; V1641-H1644 PolarHBondContact O-N 3.42Å; L1642-H1644 VanDerWaalsContact C-N 3.33Å |
| 1645 | E | 68.7 | Low | 76.6 | Confident | 121 Ų | 121 | 65.5 Ų | 65.5 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | trans | -136.6 | 91.2 | -176 | -69.4 | -172.5 | -173.3 | 0 | 0 | 111.2 | V1641 L1642 N1647 N1650 | V1641-E1645 PolarHBondContact O-N 3.28Å; L1642-E1645 CarbonylContact O-C 3.53Å; L1642-E1645 VanDerWaalsContact O-C 3.25Å; L1642-E1645 PolarHBondContact O-N 3.05Å; E1645-N1647 PolarHBondContact O-N 3.32Å; E1645-N1650 WeakPolarHBondContact CB-ND2 3.39Å; E1645-N1650 PolarHBondContact O-ND2 3.05Å | ||
| 1646 | F | 73.4 | Confident | 76.4 | Confident | 109 Ų | 109 | 70.1 Ų | 70.1 | 48% | 0.478 | 36% | 0.355 | S | S | . | . | trans | -75.6 | 92.7 | 177.2 | -163.1 | -88.7 | 0 | 0 | 0 | 110.9 | I1587 L1642 L1651 | I1587-F1646 HydrophobicContact CD1-CE2 3.81Å; I1587-F1646 HydrophobicContact CD1-CZ 4.38Å; L1642-F1646 HydrophobicContact CD1-CD2 4.11Å; L1642-F1646 HydrophobicContact CG-CD2 4.22Å; L1642-F1646 PolarHBondContact O-N 2.9Å; F1646-L1651 HydrophobicContact CE1-CD1 4.46Å; F1646-L1651 HydrophobicContact CZ-CD1 4.39Å | ||
| 1647 | N | 73.8 | Confident | 76.3 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | trans | -139.7 | 159.3 | 179.2 | 75 | 48.2 | 0 | 0 | 0 | 111.9 | E1645 A1649 N1650 L1651 | E1645-N1647 PolarHBondContact O-N 3.32Å; N1647-A1649 VanDerWaalsContact C-N 3.25Å; N1647-A1649 PolarHBondContact O-N 2.88Å; N1647-A1649 WeakPolarHBondContact OD1-CA 3.47Å; N1647-A1649 WeakPolarHBondContact OD1-CB 3.47Å; N1647-A1649 PolarHBondContact OD1-N 3.26Å; N1647-N1650 PolarHBondContact ND2-ND2 2.85Å; N1647-N1650 VanDerWaalsContact ND2-ND2 3.12Å; N1647-N1650 PolarHBondContact O-N 2.97Å; N1647-N1650 WeakPolarHBondContact OD1-CB 3.41Å; N1647-N1650 VanDerWaalsContact OD1-CG 3.28Å; N1647-N1650 PolarHBondContact OD1-N 3.1Å; N1647-N1650 PolarHBondContact OD1-OD1 3.39Å; N1647-L1651 PolarHBondContact O-N 3.22Å | ||
| 1648 | D | 70.3 | Confident | 76.2 | Confident | 133 Ų | 133 | 62.9 Ų | 62.9 | 71% | 0.711 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.8 | -28.8 | -177.8 | -88.7 | -14.4 | 0 | 0 | 0 | 113.5 | V1652 | D1648-V1652 WeakPolarHBondContact O-CG2 3.26Å; D1648-V1652 PolarHBondContact O-N 3.43Å |
| 1649 | A | 73.7 | Confident | 76.3 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -70.8 | -42.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1647 L1651 V1652 E1653 | N1647-A1649 VanDerWaalsContact C-N 3.25Å; N1647-A1649 PolarHBondContact O-N 2.88Å; N1647-A1649 WeakPolarHBondContact OD1-CA 3.47Å; N1647-A1649 WeakPolarHBondContact OD1-CB 3.47Å; N1647-A1649 PolarHBondContact OD1-N 3.26Å; A1649-L1651 VanDerWaalsContact C-N 3.33Å; A1649-V1652 PolarHBondContact O-N 3.07Å; A1649-E1653 PolarHBondContact O-N 2.95Å |
| 1650 | N | 75.9 | Confident | 76.3 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 10% | 0.096 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.7 | -30.4 | 176.4 | -63.9 | -6 | 0 | 0 | 0 | 111.2 | L1642 E1645 N1647 E1653 C1654 | L1642-N1650 HydrophobicContact CB-CB 4.43Å; L1642-N1650 HydrophobicContact CD1-CB 3.79Å; E1645-N1650 WeakPolarHBondContact CB-ND2 3.39Å; E1645-N1650 PolarHBondContact O-ND2 3.05Å; N1647-N1650 PolarHBondContact ND2-ND2 2.85Å; N1647-N1650 VanDerWaalsContact ND2-ND2 3.12Å; N1647-N1650 PolarHBondContact O-N 2.97Å; N1647-N1650 WeakPolarHBondContact OD1-CB 3.41Å; N1647-N1650 VanDerWaalsContact OD1-CG 3.28Å; N1647-N1650 PolarHBondContact OD1-N 3.1Å; N1647-N1650 PolarHBondContact OD1-OD1 3.39Å; N1650-E1653 PolarHBondContact O-N 2.83Å; N1650-C1654 WeakPolarHBondContact O-CB 3.06Å; N1650-C1654 PolarHBondContact O-N 3.43Å; N1650-C1654 PolarHBondContact O-SG 2.77Å |
| 1651 | L | 71.4 | Confident | 76.5 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 168.8 | -76.9 | 170.9 | 0 | 0 | 0 | 111.6 | I1587 L1642 F1646 N1647 A1649 C1654 D1655 | I1587-L1651 HydrophobicContact CD1-CD2 4.27Å; L1642-L1651 HydrophobicContact CD1-CD2 3.96Å; L1642-L1651 HydrophobicContact CD1-CG 3.84Å; L1642-L1651 HydrophobicContact CD2-CD2 3.71Å; L1642-L1651 HydrophobicContact CD2-CG 4.48Å; L1642-L1651 HydrophobicContact CG-CD2 4.49Å; F1646-L1651 HydrophobicContact CE1-CD1 4.46Å; F1646-L1651 HydrophobicContact CZ-CD1 4.39Å; N1647-L1651 PolarHBondContact O-N 3.22Å; A1649-L1651 VanDerWaalsContact C-N 3.33Å; L1651-C1654 PolarHBondContact O-N 2.97Å; L1651-D1655 WeakPolarHBondContact O-CB 3.33Å; L1651-D1655 PolarHBondContact O-N 2.85Å |
| 1652 | V | 77.4 | Confident | 76.6 | Confident | 61 Ų | 61 | 63.3 Ų | 63.3 | 37% | 0.37 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 173.2 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | D1648 A1649 C1654 D1655 E1656 | D1648-V1652 WeakPolarHBondContact O-CG2 3.26Å; D1648-V1652 PolarHBondContact O-N 3.43Å; A1649-V1652 PolarHBondContact O-N 3.07Å; V1652-C1654 PolarHBondContact O-N 3.33Å; V1652-D1655 PolarHBondContact O-N 2.99Å; V1652-E1656 WeakPolarHBondContact O-CG 3.41Å; V1652-E1656 PolarHBondContact O-N 3.08Å |
| 1653 | E | 76.3 | Confident | 76.7 | Confident | 103 Ų | 103 | 65.4 Ų | 65.4 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 174.7 | -170.2 | 176.1 | 179.7 | 0 | 0 | 112 | A1649 N1650 C1657 | A1649-E1653 PolarHBondContact O-N 2.95Å; N1650-E1653 PolarHBondContact O-N 2.83Å; E1653-C1657 WeakPolarHBondContact O-CB 3.46Å; E1653-C1657 PolarHBondContact O-N 3.46Å; E1653-C1657 PolarHBondContact O-SG 3.43Å |
| 1654 | C | 76.8 | Confident | 77 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 171.3 | -70.5 | 0 | 0 | 0 | 0 | 112.1 | A1638 N1650 L1651 V1652 C1657 T1658 | A1638-C1654 VanDerWaalsContact C-SG 3.54Å; N1650-C1654 WeakPolarHBondContact O-CB 3.06Å; N1650-C1654 PolarHBondContact O-N 3.43Å; N1650-C1654 PolarHBondContact O-SG 2.77Å; L1651-C1654 PolarHBondContact O-N 2.97Å; V1652-C1654 PolarHBondContact O-N 3.33Å; C1654-C1657 CarbonylContact O-C 3.6Å; C1654-C1657 WeakPolarHBondContact O-CA 3.39Å; C1654-C1657 WeakPolarHBondContact O-CB 3.35Å; C1654-C1657 PolarHBondContact O-N 3.02Å; C1654-C1657 VanDerWaalsContact O-N 3.12Å; C1654-T1658 WeakPolarHBondContact O-CG2 3.24Å; C1654-T1658 PolarHBondContact O-N 3.17Å; C1654-T1658 VanDerWaalsContact O-N 3.09Å |
| 1655 | D | 78.4 | Confident | 77.5 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 177.3 | -164.4 | 29.2 | 0 | 0 | 0 | 111.5 | S1578 R1580 L1651 V1652 C1657 T1658 | S1578-D1655 VanDerWaalsContact CB-OD1 3.31Å; S1578-D1655 WeakPolarHBondContact CB-OD1 3.23Å; S1578-D1655 PolarHBondContact OG-OD1 3.34Å; R1580-D1655 IonicContact CZ-OD2 2.69Å; R1580-D1655 IonicContact NE-OD2 3.15Å; R1580-D1655 IonicContact NH2-OD2 3.89Å; R1580-D1655 PolarHBondContact NH2-OD2 3.19Å; L1651-D1655 WeakPolarHBondContact O-CB 3.33Å; L1651-D1655 PolarHBondContact O-N 2.85Å; V1652-D1655 PolarHBondContact O-N 2.99Å; D1655-C1657 VanDerWaalsContact C-N 3.33Å; D1655-C1657 PolarHBondContact O-N 3.44Å; D1655-T1658 PolarHBondContact O-N 2.93Å; D1655-T1658 PolarHBondContact O-OG1 3.5Å |
| 1656 | E | 79.4 | Confident | 77.7 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 47% | 0.467 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.1 | -35.4 | 170.6 | -68.8 | -57.3 | 148.4 | 0 | 0 | 112.1 | V1652 T1658 K1659 P1660 | V1652-E1656 WeakPolarHBondContact O-CG 3.41Å; V1652-E1656 PolarHBondContact O-N 3.08Å; E1656-T1658 VanDerWaalsContact C-N 3.34Å; E1656-T1658 PolarHBondContact O-N 2.91Å; E1656-K1659 IonicContact OE1-NZ 3.48Å; E1656-K1659 PolarHBondContact OE1-NZ 3.46Å; E1656-K1659 WeakPolarHBondContact OE2-CE 3.5Å; E1656-K1659 IonicContact OE2-NZ 2.82Å; E1656-K1659 PolarHBondContact OE2-NZ 3.45Å; E1656-P1660 WeakPolarHBondContact O-CD 3.48Å |
| 1657 | C | 82.1 | Confident | 77.7 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 19% | 0.189 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.9 | -17.9 | 176.4 | -71.5 | 0 | 0 | 0 | 0 | 114.6 | L1635 A1638 E1653 C1654 D1655 | L1635-C1657 HydrophobicContact CB-CB 4.33Å; L1635-C1657 HydrophobicContact CD1-CB 3.87Å; A1638-C1657 HydrophobicContact CB-CB 4.5Å; E1653-C1657 WeakPolarHBondContact O-CB 3.46Å; E1653-C1657 PolarHBondContact O-N 3.46Å; E1653-C1657 PolarHBondContact O-SG 3.43Å; C1654-C1657 CarbonylContact O-C 3.6Å; C1654-C1657 WeakPolarHBondContact O-CA 3.39Å; C1654-C1657 WeakPolarHBondContact O-CB 3.35Å; C1654-C1657 PolarHBondContact O-N 3.02Å; C1654-C1657 VanDerWaalsContact O-N 3.12Å; D1655-C1657 VanDerWaalsContact C-N 3.33Å; D1655-C1657 PolarHBondContact O-N 3.44Å |
| 1658 | T | 82 | Confident | 78.1 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -77 | -31.7 | 175 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | C1574 I1577 L1635 C1654 D1655 E1656 L1661 L1662 | C1574-T1658 HydrophobicContact CB-CG2 4.38Å; I1577-T1658 HydrophobicContact CG2-CG2 4.23Å; L1635-T1658 HydrophobicContact CD1-CG2 4.04Å; L1635-T1658 HydrophobicContact CD2-CG2 4.37Å; C1654-T1658 WeakPolarHBondContact O-CG2 3.24Å; C1654-T1658 PolarHBondContact O-N 3.17Å; C1654-T1658 VanDerWaalsContact O-N 3.09Å; D1655-T1658 PolarHBondContact O-N 2.93Å; D1655-T1658 PolarHBondContact O-OG1 3.5Å; E1656-T1658 VanDerWaalsContact C-N 3.34Å; E1656-T1658 PolarHBondContact O-N 2.91Å; T1658-L1661 WeakPolarHBondContact O-CB 3.33Å; T1658-L1661 PolarHBondContact O-N 3.13Å; T1658-L1661 VanDerWaalsContact O-N 3.13Å; T1658-L1662 PolarHBondContact O-N 3Å |
| 1659 | K | 82.1 | Confident | 78.3 | Confident | 104 Ų | 104 | 43.2 Ų | 43.2 | 45% | 0.452 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -44 | -175.4 | -52.7 | 173 | -167.5 | 167.9 | 0 | 113.4 | E1656 L1661 L1662 S1663 | E1656-K1659 IonicContact OE1-NZ 3.48Å; E1656-K1659 PolarHBondContact OE1-NZ 3.46Å; E1656-K1659 WeakPolarHBondContact OE2-CE 3.5Å; E1656-K1659 IonicContact OE2-NZ 2.82Å; E1656-K1659 PolarHBondContact OE2-NZ 3.45Å; K1659-L1661 VanDerWaalsContact C-N 3.34Å; K1659-L1661 PolarHBondContact O-N 3.03Å; K1659-L1662 PolarHBondContact O-N 2.7Å; K1659-S1663 PolarHBondContact O-N 3.33Å |
| 1660 | P | 79.4 | Confident | 78.1 | Confident | 66 Ų | 66 | 42.9 Ų | 42.9 | 43% | 0.429 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62 | -38.5 | 173.3 | -24 | 34.8 | 0 | 0 | 0 | 112.9 | E1656 S1663 S1664 | E1656-P1660 WeakPolarHBondContact O-CD 3.48Å; P1660-S1663 PolarHBondContact O-N 3.42Å; P1660-S1664 PolarHBondContact O-N 2.99Å; P1660-S1664 PolarHBondContact O-OG 3.13Å |
| 1661 | L | 84.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 178.2 | 179.9 | 60.6 | 0 | 0 | 0 | 111.1 | V1570 I1594 T1598 V1628 L1635 T1658 K1659 S1663 S1664 L1665 | V1570-L1661 HydrophobicContact CG1-CD2 4.02Å; V1570-L1661 HydrophobicContact CG1-CG 4.44Å; I1594-L1661 HydrophobicContact CG2-CD2 3.94Å; T1598-L1661 HydrophobicContact CG2-CD1 4.27Å; V1628-L1661 HydrophobicContact CG1-CD1 4.47Å; L1635-L1661 HydrophobicContact CD2-CD2 3.97Å; T1658-L1661 WeakPolarHBondContact O-CB 3.33Å; T1658-L1661 PolarHBondContact O-N 3.13Å; T1658-L1661 VanDerWaalsContact O-N 3.13Å; K1659-L1661 VanDerWaalsContact C-N 3.34Å; K1659-L1661 PolarHBondContact O-N 3.03Å; L1661-S1663 VanDerWaalsContact C-N 3.32Å; L1661-S1663 PolarHBondContact O-N 3.42Å; L1661-S1664 PolarHBondContact O-N 2.86Å; L1661-L1665 HydrophobicContact CD1-CD1 4.3Å; L1661-L1665 HydrophobicContact CD1-CG 4.49Å; L1661-L1665 HydrophobicContact CG-CD1 4.15Å; L1661-L1665 VanDerWaalsContact O-CG 3.28Å; L1661-L1665 WeakPolarHBondContact O-CG 3.5Å; L1661-L1665 PolarHBondContact O-N 2.72Å |
| 1662 | L | 83 | Confident | 77.9 | Confident | 58 Ų | 58 | 40.8 Ų | 40.8 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.2 | -68.1 | 172.7 | 0 | 0 | 0 | 111.5 | V1571 C1574 T1658 K1659 L1665 D1666 | V1571-L1662 HydrophobicContact CB-CD2 4.48Å; V1571-L1662 HydrophobicContact CG2-CD2 3.97Å; C1574-L1662 HydrophobicContact CB-CD1 4.34Å; C1574-L1662 HydrophobicContact CB-CD2 4.06Å; C1574-L1662 HydrophobicContact CB-CG 4.35Å; T1658-L1662 PolarHBondContact O-N 3Å; K1659-L1662 PolarHBondContact O-N 2.7Å; L1662-L1665 PolarHBondContact O-N 2.91Å; L1662-D1666 WeakPolarHBondContact O-CB 3.19Å; L1662-D1666 PolarHBondContact O-N 3.34Å |
| 1663 | S | 77 | Confident | 77.3 | Confident | 49 Ų | 49 | 42 Ų | 42 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.6 | -37 | 176.6 | -164.3 | 0 | 0 | 0 | 0 | 113.4 | K1659 P1660 L1661 L1665 N1667 | K1659-S1663 PolarHBondContact O-N 3.33Å; P1660-S1663 PolarHBondContact O-N 3.42Å; L1661-S1663 VanDerWaalsContact C-N 3.32Å; L1661-S1663 PolarHBondContact O-N 3.42Å; S1663-L1665 VanDerWaalsContact C-N 3.34Å; S1663-N1667 VanDerWaalsContact O-CG 3.23Å; S1663-N1667 PolarHBondContact O-N 2.97Å; S1663-N1667 PolarHBondContact O-ND2 3.42Å |
| 1664 | S | 79.2 | Confident | 76.7 | Confident | 17 Ų | 17 | 37.5 Ų | 37.5 | 12% | 0.119 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 173.7 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | P1660 L1661 L1668 | P1660-S1664 PolarHBondContact O-N 2.99Å; P1660-S1664 PolarHBondContact O-OG 3.13Å; L1661-S1664 PolarHBondContact O-N 2.86Å; S1664-L1668 WeakPolarHBondContact O-CB 3.35Å; S1664-L1668 PolarHBondContact O-N 2.86Å |
| 1665 | L | 82 | Confident | 75.9 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.1 | -38.8 | 178.6 | -69.4 | 168.2 | 0 | 0 | 0 | 112.6 | V1570 L1601 V1628 L1661 L1662 S1663 L1668 S1669 | V1570-L1665 HydrophobicContact CB-CD1 4Å; V1570-L1665 HydrophobicContact CG1-CD1 3.54Å; L1601-L1665 HydrophobicContact CD1-CD2 3.55Å; V1628-L1665 HydrophobicContact CG2-CD2 4.13Å; L1661-L1665 HydrophobicContact CD1-CD1 4.3Å; L1661-L1665 HydrophobicContact CD1-CG 4.49Å; L1661-L1665 HydrophobicContact CG-CD1 4.15Å; L1661-L1665 VanDerWaalsContact O-CG 3.28Å; L1661-L1665 WeakPolarHBondContact O-CG 3.5Å; L1661-L1665 PolarHBondContact O-N 2.72Å; L1662-L1665 PolarHBondContact O-N 2.91Å; S1663-L1665 VanDerWaalsContact C-N 3.34Å; L1665-L1668 PolarHBondContact O-N 2.74Å; L1665-S1669 VanDerWaalsContact O-CB 3.27Å; L1665-S1669 WeakPolarHBondContact O-CB 3.43Å; L1665-S1669 PolarHBondContact O-N 3.3Å |
| 1666 | D | 74.3 | Confident | 75 | Confident | 95 Ų | 95 | 45.3 Ų | 45.3 | 51% | 0.508 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 177.7 | -162.9 | 33.3 | 0 | 0 | 0 | 111.6 | L1662 S1669 T1670 | L1662-D1666 WeakPolarHBondContact O-CB 3.19Å; L1662-D1666 PolarHBondContact O-N 3.34Å; D1666-S1669 PolarHBondContact O-N 3Å; D1666-T1670 WeakPolarHBondContact O-CB 3.34Å; D1666-T1670 PolarHBondContact O-N 2.91Å; D1666-T1670 PolarHBondContact O-OG1 3.26Å |
| 1667 | N | 73.4 | Confident | 74.4 | Confident | 61 Ų | 61 | 41 Ų | 41 | 33% | 0.326 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 172 | -70.4 | -14.4 | 0 | 0 | 0 | 111.9 | Y1624 S1663 T1670 F1671 | Y1624-N1667 HydrophobicContact CE1-CB 3.93Å; S1663-N1667 VanDerWaalsContact O-CG 3.23Å; S1663-N1667 PolarHBondContact O-N 2.97Å; S1663-N1667 PolarHBondContact O-ND2 3.42Å; N1667-T1670 PolarHBondContact O-N 3.11Å; N1667-F1671 WeakPolarHBondContact O-CB 3.37Å; N1667-F1671 PolarHBondContact O-N 3.11Å |
| 1668 | L | 80.7 | Confident | 73.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 177.6 | 175.9 | 60.3 | 0 | 0 | 0 | 111.5 | F1563 Y1624 V1628 S1664 L1665 F1671 V1672 | F1563-L1668 HydrophobicContact CE2-CD2 3.88Å; F1563-L1668 HydrophobicContact CE2-CG 3.84Å; F1563-L1668 HydrophobicContact CZ-CD2 4.25Å; F1563-L1668 HydrophobicContact CZ-CG 3.86Å; Y1624-L1668 HydrophobicContact CD1-CB 4.43Å; Y1624-L1668 HydrophobicContact CD2-CD1 3.83Å; Y1624-L1668 HydrophobicContact CG-CB 4.24Å; Y1624-L1668 HydrophobicContact CG-CD1 3.97Å; V1628-L1668 HydrophobicContact CG2-CD2 4.39Å; S1664-L1668 WeakPolarHBondContact O-CB 3.35Å; S1664-L1668 PolarHBondContact O-N 2.86Å; L1665-L1668 PolarHBondContact O-N 2.74Å; L1668-F1671 PolarHBondContact O-N 3.12Å; L1668-V1672 HydrophobicContact CD1-CG2 3.85Å; L1668-V1672 HydrophobicContact CG-CG2 4.34Å; L1668-V1672 WeakPolarHBondContact O-CB 3.38Å; L1668-V1672 WeakPolarHBondContact O-CG2 3.43Å; L1668-V1672 PolarHBondContact O-N 3.44Å |
| 1669 | S | 76 | Confident | 72.4 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | L1665 D1666 F1671 V1672 L1673 | L1665-S1669 VanDerWaalsContact O-CB 3.27Å; L1665-S1669 WeakPolarHBondContact O-CB 3.43Å; L1665-S1669 PolarHBondContact O-N 3.3Å; D1666-S1669 PolarHBondContact O-N 3Å; S1669-F1671 VanDerWaalsContact C-N 3.32Å; S1669-F1671 PolarHBondContact O-N 3.33Å; S1669-V1672 PolarHBondContact O-N 3.49Å; S1669-L1673 WeakPolarHBondContact O-CB 3.4Å; S1669-L1673 VanDerWaalsContact O-CG 3.25Å; S1669-L1673 WeakPolarHBondContact O-CG 3.49Å; S1669-L1673 PolarHBondContact O-N 2.99Å |
| 1670 | T | 68.6 | Low | 71.4 | Confident | 61 Ų | 61 | 41.4 Ų | 41.4 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | D1666 N1667 L1673 | D1666-T1670 WeakPolarHBondContact O-CB 3.34Å; D1666-T1670 PolarHBondContact O-N 2.91Å; D1666-T1670 PolarHBondContact O-OG1 3.26Å; N1667-T1670 PolarHBondContact O-N 3.11Å; T1670-L1673 PolarHBondContact O-N 3.11Å |
| 1671 | F | 71.7 | Confident | 70.5 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.2 | -45 | 176.7 | -174.8 | -107 | 0 | 0 | 0 | 112.4 | Q1185 A1617 H1620 F1621 Y1624 N1667 L1668 S1669 L1673 S1674 F1677 | Q1185-F1671 HydrophobicContact CG-CE2 4.27Å; A1617-F1671 HydrophobicContact CB-CZ 3.91Å; H1620-F1671 HydrophobicContact CB-CE1 3.95Å; H1620-F1671 HydrophobicContact CB-CE2 4.15Å; H1620-F1671 HydrophobicContact CB-CZ 3.7Å; F1621-F1671 HydrophobicContact CD1-CD1 4.37Å; F1621-F1671 HydrophobicContact CD1-CE1 4.09Å; F1621-F1671 HydrophobicContact CD2-CE1 4.43Å; F1621-F1671 AromaticContact CE1-CD1 3.85Å; F1621-F1671 HydrophobicContact CE1-CD1 3.85Å; F1621-F1671 AromaticContact CE1-CE1 3.67Å; F1621-F1671 HydrophobicContact CE1-CE1 3.67Å; F1621-F1671 HydrophobicContact CE2-CE1 4.07Å; F1621-F1671 HydrophobicContact CG-CE1 4.43Å; F1621-F1671 HydrophobicContact CZ-CD1 4.2Å; F1621-F1671 AromaticContact CZ-CE1 3.66Å; F1621-F1671 HydrophobicContact CZ-CE1 3.66Å; Y1624-F1671 HydrophobicContact CD2-CD1 4.15Å; Y1624-F1671 HydrophobicContact CD2-CG 4.43Å; Y1624-F1671 HydrophobicContact CE2-CB 3.8Å; Y1624-F1671 AromaticContact CE2-CD1 3.79Å; Y1624-F1671 HydrophobicContact CE2-CD1 3.79Å; Y1624-F1671 HydrophobicContact CE2-CD2 4.21Å; Y1624-F1671 HydrophobicContact CE2-CE1 4.45Å; Y1624-F1671 AromaticContact CE2-CG 3.66Å; Y1624-F1671 HydrophobicContact CE2-CG 3.66Å; N1667-F1671 WeakPolarHBondContact O-CB 3.37Å; N1667-F1671 PolarHBondContact O-N 3.11Å; L1668-F1671 PolarHBondContact O-N 3.12Å; S1669-F1671 VanDerWaalsContact C-N 3.32Å; S1669-F1671 PolarHBondContact O-N 3.33Å; F1671-L1673 VanDerWaalsContact C-N 3.3Å; F1671-L1673 PolarHBondContact O-N 3.32Å; F1671-S1674 VanDerWaalsContact O-CB 3.25Å; F1671-S1674 WeakPolarHBondContact O-CB 3.3Å; F1671-S1674 PolarHBondContact O-N 3.29Å; F1671-S1674 PolarHBondContact O-OG 3.44Å; F1671-F1677 HydrophobicContact CD1-CE2 4.05Å; F1671-F1677 HydrophobicContact CD1-CZ 4.49Å; F1671-F1677 AromaticContact CE1-CE2 3.68Å; F1671-F1677 HydrophobicContact CE1-CE2 3.68Å; F1671-F1677 AromaticContact CE1-CZ 3.68Å; F1671-F1677 HydrophobicContact CE1-CZ 3.68Å; F1671-F1677 HydrophobicContact CE2-CE2 4.16Å; F1671-F1677 HydrophobicContact CE2-CZ 4.26Å; F1671-F1677 HydrophobicContact CG-CE2 4.44Å; F1671-F1677 AromaticContact CZ-CE2 3.72Å; F1671-F1677 HydrophobicContact CZ-CE2 3.72Å; F1671-F1677 AromaticContact CZ-CZ 3.52Å; F1671-F1677 HydrophobicContact CZ-CZ 3.52Å; F1671-F1677 WeakPolarHBondContact O-CD2 3.49Å; F1671-F1677 VanDerWaalsContact O-CE2 3.32Å; F1671-F1677 WeakPolarHBondContact O-CE2 3.43Å |
| 1672 | V | 71.3 | Confident | 69.6 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.8 | -27.8 | 179.9 | 171.1 | 0 | 0 | 0 | 0 | 112.5 | I1558 M1560 F1563 F1621 L1668 S1669 S1674 | I1558-V1672 HydrophobicContact CB-CG1 4.2Å; I1558-V1672 HydrophobicContact CD1-CB 4.47Å; I1558-V1672 HydrophobicContact CD1-CG1 4.06Å; I1558-V1672 HydrophobicContact CD1-CG2 3.62Å; I1558-V1672 HydrophobicContact CG2-CG1 3.87Å; M1560-V1672 HydrophobicContact CE-CG1 3.66Å; M1560-V1672 WeakPolarHBondContact CE-O 3.34Å; M1560-V1672 HydrophobicContact SD-CG1 3.94Å; F1563-V1672 HydrophobicContact CD1-CG1 3.99Å; F1563-V1672 HydrophobicContact CD2-CG1 4.5Å; F1563-V1672 HydrophobicContact CE1-CB 4.13Å; F1563-V1672 HydrophobicContact CE1-CG1 4.06Å; F1563-V1672 HydrophobicContact CE1-CG2 4.44Å; F1563-V1672 HydrophobicContact CE2-CG2 3.97Å; F1563-V1672 HydrophobicContact CG-CG1 4.24Å; F1563-V1672 HydrophobicContact CZ-CB 4.12Å; F1563-V1672 HydrophobicContact CZ-CG1 4.35Å; F1563-V1672 HydrophobicContact CZ-CG2 3.94Å; F1621-V1672 HydrophobicContact CE1-CG2 4.09Å; L1668-V1672 HydrophobicContact CD1-CG2 3.85Å; L1668-V1672 HydrophobicContact CG-CG2 4.34Å; L1668-V1672 WeakPolarHBondContact O-CB 3.38Å; L1668-V1672 WeakPolarHBondContact O-CG2 3.43Å; L1668-V1672 PolarHBondContact O-N 3.44Å; S1669-V1672 PolarHBondContact O-N 3.49Å; V1672-S1674 PolarHBondContact O-N 2.92Å |
| 1673 | L | 65.5 | Low | 69 | Low | 87 Ų | 87 | 45.3 Ų | 45.3 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 2.4 | 174.2 | -72 | 167.9 | 0 | 0 | 0 | 114.5 | M1560 S1669 T1670 F1671 | M1560-L1673 HydrophobicContact CE-CD2 4.06Å; M1560-L1673 HydrophobicContact SD-CD2 3.85Å; M1560-L1673 HydrophobicContact SD-CG 4.49Å; S1669-L1673 WeakPolarHBondContact O-CB 3.4Å; S1669-L1673 VanDerWaalsContact O-CG 3.25Å; S1669-L1673 WeakPolarHBondContact O-CG 3.49Å; S1669-L1673 PolarHBondContact O-N 2.99Å; T1670-L1673 PolarHBondContact O-N 3.11Å; F1671-L1673 VanDerWaalsContact C-N 3.3Å; F1671-L1673 PolarHBondContact O-N 3.32Å |
| 1674 | S | 62.9 | Low | 68.9 | Low | 8 Ų | 8 | 44.1 Ų | 44.1 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -63.9 | 140.4 | 173.8 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | F1671 V1672 E1676 F1677 | F1671-S1674 VanDerWaalsContact O-CB 3.25Å; F1671-S1674 WeakPolarHBondContact O-CB 3.3Å; F1671-S1674 PolarHBondContact O-N 3.29Å; F1671-S1674 PolarHBondContact O-OG 3.44Å; V1672-S1674 PolarHBondContact O-N 2.92Å; S1674-E1676 PolarHBondContact O-N 3.04Å; S1674-F1677 PolarHBondContact O-N 3.12Å |
| 1675 | P | 60.7 | Low | 68.8 | Low | 66 Ų | 66 | 44.2 Ų | 44.2 | 43% | 0.429 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.5 | -176.8 | 26.1 | -34.5 | 0 | 0 | 0 | 113.7 | V1178 F1677 | V1178-P1675 HydrophobicContact CG2-CG 4.48Å; P1675-F1677 VanDerWaalsContact C-N 3.33Å; P1675-F1677 PolarHBondContact O-N 3.14Å |
| 1676 | E | 59.3 | Low | 68.7 | Low | 122 Ų | 122 | 51 Ų | 51 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -23.9 | 178.8 | -64 | 169 | -150.3 | 0 | 0 | 114.1 | S1674 | S1674-E1676 PolarHBondContact O-N 3.04Š|
| 1677 | F | 66.2 | Low | 68.9 | Low | 9 Ų | 9 | 52.1 Ų | 52.1 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -9.5 | 179.8 | -52.6 | -56.3 | 0 | 0 | 0 | 113.5 | L1557 T1612 A1617 F1621 F1671 S1674 P1675 | L1557-F1677 HydrophobicContact CB-CB 4.41Å; L1557-F1677 HydrophobicContact CB-CD1 4.5Å; L1557-F1677 HydrophobicContact CD1-CD1 3.99Å; L1557-F1677 PolarHBondContact N-O 3Å; T1612-F1677 HydrophobicContact CG2-CE1 4.41Å; A1617-F1677 HydrophobicContact CB-CE1 3.99Å; A1617-F1677 HydrophobicContact CB-CZ 3.81Å; F1621-F1677 HydrophobicContact CE2-CD1 4.27Å; F1621-F1677 AromaticContact CE2-CE1 3.82Å; F1621-F1677 HydrophobicContact CE2-CE1 3.82Å; F1621-F1677 HydrophobicContact CE2-CZ 4.14Å; F1621-F1677 HydrophobicContact CZ-CD1 4.07Å; F1621-F1677 HydrophobicContact CZ-CD2 4.41Å; F1621-F1677 AromaticContact CZ-CE1 3.89Å; F1621-F1677 HydrophobicContact CZ-CE1 3.89Å; F1621-F1677 HydrophobicContact CZ-CE2 4.24Å; F1621-F1677 HydrophobicContact CZ-CG 4.35Å; F1621-F1677 AromaticContact CZ-CZ 3.99Å; F1621-F1677 HydrophobicContact CZ-CZ 3.99Å; F1671-F1677 HydrophobicContact CD1-CE2 4.05Å; F1671-F1677 HydrophobicContact CD1-CZ 4.49Å; F1671-F1677 AromaticContact CE1-CE2 3.68Å; F1671-F1677 HydrophobicContact CE1-CE2 3.68Å; F1671-F1677 AromaticContact CE1-CZ 3.68Å; F1671-F1677 HydrophobicContact CE1-CZ 3.68Å; F1671-F1677 HydrophobicContact CE2-CE2 4.16Å; F1671-F1677 HydrophobicContact CE2-CZ 4.26Å; F1671-F1677 HydrophobicContact CG-CE2 4.44Å; F1671-F1677 AromaticContact CZ-CE2 3.72Å; F1671-F1677 HydrophobicContact CZ-CE2 3.72Å; F1671-F1677 AromaticContact CZ-CZ 3.52Å; F1671-F1677 HydrophobicContact CZ-CZ 3.52Å; F1671-F1677 WeakPolarHBondContact O-CD2 3.49Å; F1671-F1677 VanDerWaalsContact O-CE2 3.32Å; F1671-F1677 WeakPolarHBondContact O-CE2 3.43Å; S1674-F1677 PolarHBondContact O-N 3.12Å; P1675-F1677 VanDerWaalsContact C-N 3.33Å; P1675-F1677 PolarHBondContact O-N 3.14Å |
| 1678 | A | 61.5 | Low | 69.2 | Low | 45 Ų | 45 | 49.2 Ų | 49.2 | 37% | 0.372 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -74.7 | 147.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1679 | G | 60.8 | Low | 69.3 | Low | 11 Ų | 11 | 54.6 Ų | 54.6 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 162.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1409 T1554 E1556 | V1409-G1679 WeakPolarHBondContact CG2-O 3.34Å; T1554-G1679 VanDerWaalsContact O-CA 3.25Å; T1554-G1679 WeakPolarHBondContact O-CA 3.27Å; E1556-G1679 PolarHBondContact OE1-N 3.38Å |
| 1680 | V | 62.8 | Low | 69.6 | Low | 86 Ų | 86 | 56.7 Ų | 56.7 | 52% | 0.521 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -97.2 | 129.4 | 167.5 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | G1553 T1554 | G1553-V1680 CarbonylContact C-O 3.6Å; G1553-V1680 WeakPolarHBondContact CA-O 3.46Å; T1554-V1680 HydrophobicContact CG2-CB 4.36Å; T1554-V1680 PolarHBondContact N-O 2.97Å; T1554-V1680 PolarHBondContact O-N 2.87Å; T1554-V1680 WeakPolarHBondContact OG1-CB 3.24Å; T1554-V1680 WeakPolarHBondContact OG1-CG2 3.48Å; T1554-V1680 PolarHBondContact OG1-N 2.72Å |
| 1681 | P | 59.5 | Low | 70.3 | Confident | 58 Ų | 58 | 55 Ų | 55 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 142.1 | -177.9 | 24.9 | -32.7 | 0 | 0 | 0 | 112.2 | V1409 | V1409-P1681 HydrophobicContact CG2-CB 4.01Å; V1409-P1681 HydrophobicContact CG2-CG 4.32Å |
| 1682 | S | 65.2 | Low | 71 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 144.7 | 171.7 | 23.4 | 0 | 0 | 0 | 0 | 111.5 | D1461 Y1541 I1551 | D1461-S1682 PolarHBondContact O-OG 3.44Å; Y1541-S1682 WeakPolarHBondContact CE2-OG 3.28Å; Y1541-S1682 PolarHBondContact OH-OG 3.1Å; I1551-S1682 CarbonylContact O-C 3.55Å; I1551-S1682 VanDerWaalsContact O-CA 3.29Å; I1551-S1682 WeakPolarHBondContact O-CA 3.32Å; I1551-S1682 WeakPolarHBondContact O-CB 3.43Å |
| 1683 | K | 70.4 | Confident | 71.7 | Confident | 128 Ų | 128 | 61.7 Ų | 61.7 | 56% | 0.557 | 33% | 0.328 | S | S | * | . | B | Isolated β-bridge | trans | -113.6 | 98.7 | 172.5 | -66.1 | 177.3 | 179.2 | 173 | 0 | 108.4 | S1550 I1551 | S1550-K1683 CarbonylContact C-O 3.57Å; S1550-K1683 WeakPolarHBondContact CA-O 3.32Å; I1551-K1683 HydrophobicContact CB-CB 4.26Å; I1551-K1683 HydrophobicContact CD1-CD 4.45Å; I1551-K1683 PolarHBondContact N-O 3.09Å; I1551-K1683 PolarHBondContact O-N 2.64Å |
| 1684 | I | 73.9 | Confident | 72.7 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | trans | -78 | 126.8 | 179.6 | -53 | -171.5 | 0 | 0 | 0 | 109.5 | P1460 Y1541 V1545 R1689 | P1460-I1684 WeakPolarHBondContact O-CD1 3.46Å; Y1541-I1684 HydrophobicContact CD2-CD1 4.27Å; Y1541-I1684 HydrophobicContact CE2-CD1 4.49Å; V1545-I1684 HydrophobicContact CG2-CD1 4.44Å; V1545-I1684 HydrophobicContact CG2-CG1 4.38Å; I1684-R1689 HydrophobicContact CB-CG 4.4Å; I1684-R1689 HydrophobicContact CG2-CG 3.79Å | ||
| 1685 | S | 78.6 | Confident | 73.8 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | trans | -69.1 | 162.4 | 178.5 | 96.4 | 0 | 0 | 0 | 0 | 111.5 | D1547 S1550 Q1687 G1688 R1689 | D1547-S1685 WeakPolarHBondContact OD2-CB 3.4Å; D1547-S1685 PolarHBondContact OD2-OG 3.34Å; S1550-S1685 PolarHBondContact OG-N 3.48Å; S1685-Q1687 PolarHBondContact O-N 2.98Å; S1685-Q1687 PolarHBondContact OG-N 3.44Å; S1685-Q1687 VanDerWaalsContact OG-N 3.1Å; S1685-G1688 PolarHBondContact O-N 2.68Å; S1685-G1688 PolarHBondContact OG-N 2.93Å; S1685-R1689 PolarHBondContact O-N 3.5Å | ||
| 1686 | Q | 78.9 | Confident | 75 | Confident | 146 Ų | 146 | 57.6 Ų | 57.6 | 68% | 0.682 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.7 | -26.7 | 173.9 | -171.4 | 62.1 | 25 | 0 | 0 | 112.3 | S1690 | Q1686-S1690 PolarHBondContact O-N 3.45Å; Q1686-S1690 PolarHBondContact O-OG 3.17Å |
| 1687 | Q | 79.7 | Confident | 76.4 | Confident | 117 Ų | 117 | 59 Ų | 59 | 55% | 0.547 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -75.1 | -44.8 | 174.2 | -69.2 | 171.8 | -23.5 | 0 | 0 | 110.5 | N1549 S1685 R1689 S1690 A1691 | N1549-Q1687 PolarHBondContact ND2-OE1 3.47Å; S1685-Q1687 PolarHBondContact O-N 2.98Å; S1685-Q1687 PolarHBondContact OG-N 3.44Å; S1685-Q1687 VanDerWaalsContact OG-N 3.1Å; Q1687-R1689 PolarHBondContact O-N 3.3Å; Q1687-S1690 WeakPolarHBondContact O-CA 2.97Å; Q1687-S1690 WeakPolarHBondContact O-CB 3.47Å; Q1687-S1690 PolarHBondContact O-N 2.99Å; Q1687-A1691 PolarHBondContact O-N 3.31Å |
| 1688 | G | 79.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -52.2 | -53.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1685 S1690 A1691 Q1692 | S1685-G1688 PolarHBondContact O-N 2.68Å; S1685-G1688 PolarHBondContact OG-N 2.93Å; G1688-S1690 PolarHBondContact O-N 3.15Å; G1688-A1691 WeakPolarHBondContact O-CA 3.27Å; G1688-A1691 WeakPolarHBondContact O-CB 3.2Å; G1688-A1691 PolarHBondContact O-N 2.99Å; G1688-Q1692 WeakPolarHBondContact O-CG 3.4Å; G1688-Q1692 PolarHBondContact O-N 3.49Å |
| 1689 | R | 81.8 | Confident | 78.6 | Confident | 113 Ų | 113 | 56.9 Ų | 56.9 | 43% | 0.426 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.3 | -35.9 | 176 | -74.4 | -177.3 | 165.3 | -165.5 | -9.4 | 113.6 | D1461 I1684 S1685 Q1687 A1691 Q1692 Q1693 | D1461-R1689 VanDerWaalsContact CG-NH2 3.33Å; D1461-R1689 IonicContact OD1-CZ 3.71Å; D1461-R1689 IonicContact OD1-NE 3.86Å; D1461-R1689 IonicContact OD1-NH2 2.8Å; D1461-R1689 PolarHBondContact OD1-NH2 3Å; D1461-R1689 IonicContact OD2-NH2 3.4Å; D1461-R1689 PolarHBondContact OD2-NH2 2.9Å; I1684-R1689 HydrophobicContact CB-CG 4.4Å; I1684-R1689 HydrophobicContact CG2-CG 3.79Å; S1685-R1689 PolarHBondContact O-N 3.5Å; Q1687-R1689 PolarHBondContact O-N 3.3Å; R1689-A1691 VanDerWaalsContact C-N 3.33Å; R1689-Q1692 PolarHBondContact O-N 2.86Å; R1689-Q1693 PolarHBondContact O-N 3.21Å |
| 1690 | S | 83.5 | Confident | 79.8 | Confident | 67 Ų | 67 | 58.1 Ų | 58.1 | 47% | 0.469 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.6 | -29.9 | 175.6 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | Q1686 Q1687 G1688 | Q1686-S1690 PolarHBondContact O-N 3.45Å; Q1686-S1690 PolarHBondContact O-OG 3.17Å; Q1687-S1690 WeakPolarHBondContact O-CA 2.97Å; Q1687-S1690 WeakPolarHBondContact O-CB 3.47Å; Q1687-S1690 PolarHBondContact O-N 2.99Å; G1688-S1690 PolarHBondContact O-N 3.15Å |
| 1691 | A | 82.3 | Confident | 81 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 21% | 0.207 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.8 | -29.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1543 Q1687 G1688 R1689 P1694 | V1543-A1691 HydrophobicContact CG1-CB 3.95Å; Q1687-A1691 PolarHBondContact O-N 3.31Å; G1688-A1691 WeakPolarHBondContact O-CA 3.27Å; G1688-A1691 WeakPolarHBondContact O-CB 3.2Å; G1688-A1691 PolarHBondContact O-N 2.99Å; R1689-A1691 VanDerWaalsContact C-N 3.33Å; A1691-P1694 WeakPolarHBondContact O-CD 3.23Å |
| 1692 | Q | 86.6 | Confident | 82.3 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.2 | -35.1 | 176.4 | -56.5 | -176 | -63 | 0 | 0 | 113.3 | P1460 A1540 G1544 G1688 R1689 P1694 I1695 V1696 | P1460-Q1692 PolarHBondContact O-NE2 2.68Å; A1540-Q1692 HydrophobicContact CB-CB 4.39Å; A1540-Q1692 VanDerWaalsContact O-CG 3.23Å; A1540-Q1692 WeakPolarHBondContact O-CG 3.47Å; A1540-Q1692 PolarHBondContact O-NE2 3.29Å; G1544-Q1692 VanDerWaalsContact CA-CG 3.48Å; G1688-Q1692 WeakPolarHBondContact O-CG 3.4Å; G1688-Q1692 PolarHBondContact O-N 3.49Å; R1689-Q1692 PolarHBondContact O-N 2.86Å; Q1692-P1694 VanDerWaalsContact C-CD 3.44Å; Q1692-I1695 WeakPolarHBondContact O-CB 3.42Å; Q1692-I1695 PolarHBondContact O-N 3.36Å; Q1692-V1696 PolarHBondContact O-N 2.99Å |
| 1693 | Q | 85.7 | Confident | 83.2 | Confident | 135 Ų | 135 | 53.7 Ų | 53.7 | 63% | 0.631 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -53 | -39.2 | -167.6 | -170.8 | 177.5 | -5.5 | 0 | 0 | 115.5 | R1689 I1695 V1696 Y1697 | R1689-Q1693 PolarHBondContact O-N 3.21Å; Q1693-I1695 VanDerWaalsContact C-N 3.35Å; Q1693-I1695 PolarHBondContact O-N 2.88Å; Q1693-V1696 PolarHBondContact O-N 2.96Å; Q1693-Y1697 WeakPolarHBondContact O-CB 3.25Å; Q1693-Y1697 PolarHBondContact O-N 3.17Å |
| 1694 | P | 86.4 | Confident | 84 | Confident | 55 Ų | 55 | 51 Ų | 51 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.9 | -35.2 | 176.3 | -23.3 | 35.7 | 0 | 0 | 0 | 114 | A1691 Q1692 A1698 A1746 | A1691-P1694 WeakPolarHBondContact O-CD 3.23Å; Q1692-P1694 VanDerWaalsContact C-CD 3.44Å; P1694-A1698 WeakPolarHBondContact O-CB 3.44Å; P1694-A1698 PolarHBondContact O-N 3.18Å; P1694-A1698 VanDerWaalsContact O-N 3.15Å; P1694-A1746 HydrophobicContact CB-CB 4.15Å |
| 1695 | I | 86.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.2 | -47.3 | 179.2 | -59.9 | 172.8 | 0 | 0 | 0 | 109.4 | A1536 A1539 A1540 V1543 Q1692 Q1693 Y1697 A1698 G1699 L1743 A1746 I1747 | A1536-I1695 WeakPolarHBondContact O-CG2 3.34Å; A1539-I1695 HydrophobicContact CB-CG2 4.41Å; A1540-I1695 HydrophobicContact CB-CB 4.3Å; A1540-I1695 HydrophobicContact CB-CG2 4.04Å; V1543-I1695 HydrophobicContact CB-CD1 4.1Å; V1543-I1695 HydrophobicContact CG1-CD1 4.32Å; V1543-I1695 HydrophobicContact CG2-CD1 3.83Å; Q1692-I1695 WeakPolarHBondContact O-CB 3.42Å; Q1692-I1695 PolarHBondContact O-N 3.36Å; Q1693-I1695 VanDerWaalsContact C-N 3.35Å; Q1693-I1695 PolarHBondContact O-N 2.88Å; I1695-Y1697 PolarHBondContact O-N 2.83Å; I1695-A1698 PolarHBondContact O-N 2.79Å; I1695-G1699 PolarHBondContact O-N 3.27Å; I1695-L1743 HydrophobicContact CG2-CD1 3.82Å; I1695-A1746 HydrophobicContact CG1-CB 4.02Å; I1695-I1747 HydrophobicContact CD1-CG1 4.15Å; I1695-I1747 HydrophobicContact CG1-CG1 4.21Å; I1695-I1747 HydrophobicContact CG2-CG1 4.21Å |
| 1696 | V | 87.1 | Confident | 84.9 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 13% | 0.127 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.7 | -47.5 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | L1457 P1460 A1540 Q1692 Q1693 A1698 G1699 H1700 | L1457-V1696 HydrophobicContact CB-CG1 4.45Å; L1457-V1696 VanDerWaalsContact O-CG1 3.3Å; L1457-V1696 WeakPolarHBondContact O-CG1 3.44Å; P1460-V1696 HydrophobicContact CG-CG2 3.96Å; A1540-V1696 HydrophobicContact CB-CG2 3.91Å; Q1692-V1696 PolarHBondContact O-N 2.99Å; Q1693-V1696 PolarHBondContact O-N 2.96Å; V1696-A1698 PolarHBondContact O-N 3.07Å; V1696-G1699 PolarHBondContact O-N 3.07Å; V1696-H1700 WeakPolarHBondContact CG1-NE2 3.24Å; V1696-H1700 PolarHBondContact O-CD2 2.69Å; V1696-H1700 PolarHBondContact O-N 3.06Å |
| 1697 | Y | 88.5 | Confident | 85.2 | Confident | 152 Ų | 152 | 42.8 Ų | 42.8 | 60% | 0.596 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -61.7 | -42.7 | 178.7 | -178.1 | -108.1 | 0 | 0 | 0 | 112.9 | Q1693 I1695 G1699 H1700 L1701 | Q1693-Y1697 WeakPolarHBondContact O-CB 3.25Å; Q1693-Y1697 PolarHBondContact O-N 3.17Å; I1695-Y1697 PolarHBondContact O-N 2.83Å; Y1697-G1699 VanDerWaalsContact C-N 3.33Å; Y1697-G1699 PolarHBondContact O-N 3.15Å; Y1697-H1700 PolarHBondContact O-N 3.1Å; Y1697-L1701 HydrophobicContact CD1-CD1 4.06Å; Y1697-L1701 HydrophobicContact CE1-CD1 3.52Å; Y1697-L1701 HydrophobicContact CE1-CG 4.3Å; Y1697-L1701 HydrophobicContact CE2-CG 4.49Å; Y1697-L1701 WeakPolarHBondContact O-CG 3.44Å; Y1697-L1701 PolarHBondContact O-N 2.88Å; Y1697-L1701 VanDerWaalsContact O-N 3.16Å |
| 1698 | A | 86.6 | Confident | 85.6 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 7% | 0.066 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -36.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1694 I1695 V1696 M1702 L1743 | P1694-A1698 WeakPolarHBondContact O-CB 3.44Å; P1694-A1698 PolarHBondContact O-N 3.18Å; P1694-A1698 VanDerWaalsContact O-N 3.15Å; I1695-A1698 PolarHBondContact O-N 2.79Å; V1696-A1698 PolarHBondContact O-N 3.07Å; A1698-M1702 WeakPolarHBondContact O-CB 3.42Å; A1698-M1702 PolarHBondContact O-N 2.71Å; A1698-M1702 VanDerWaalsContact O-N 3.17Å; A1698-L1743 HydrophobicContact CB-CB 3.93Å; A1698-L1743 HydrophobicContact CB-CD1 4.16Å |
| 1699 | G | 85.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.3 | -46.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1695 V1696 Y1697 M1702 I1703 | I1695-G1699 PolarHBondContact O-N 3.27Å; V1696-G1699 PolarHBondContact O-N 3.07Å; Y1697-G1699 VanDerWaalsContact C-N 3.33Å; Y1697-G1699 PolarHBondContact O-N 3.15Å; G1699-M1702 WeakPolarHBondContact O-CB 3.19Å; G1699-M1702 PolarHBondContact O-N 3.11Å; G1699-I1703 WeakPolarHBondContact O-CG1 3.29Å; G1699-I1703 PolarHBondContact O-N 3.08Å; G1699-I1703 VanDerWaalsContact O-N 3.17Å |
| 1700 | H | 87 | Confident | 86.1 | Confident | 38 Ų | 38 | 34.8 Ų | 34.8 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -48.2 | 176.4 | -70.8 | -67.7 | 0 | 0 | 0 | 112.2 | Y1454 D1458 V1696 Y1697 M1702 I1703 D1704 | Y1454-H1700 AromaticContact CD1-CE1 3.97Å; Y1454-H1700 AromaticContact CD1-ND1 3.44Å; Y1454-H1700 WeakPolarHBondContact CD1-ND1 3.49Å; Y1454-H1700 AromaticContact CE1-ND1 3.76Å; D1458-H1700 IonicContact OD1-CE1 3.88Å; D1458-H1700 PolarHBondContact OD1-CE1 3.17Å; D1458-H1700 IonicContact OD1-NE2 2.68Å; V1696-H1700 WeakPolarHBondContact CG1-NE2 3.24Å; V1696-H1700 PolarHBondContact O-CD2 2.69Å; V1696-H1700 PolarHBondContact O-N 3.06Å; Y1697-H1700 PolarHBondContact O-N 3.1Å; H1700-M1702 PolarHBondContact O-N 3.49Å; H1700-I1703 PolarHBondContact O-N 3.46Å; H1700-D1704 PolarHBondContact O-N 3.38Å |
| 1701 | L | 87.5 | Confident | 86.2 | Confident | 70 Ų | 70 | 35.7 Ų | 35.7 | 37% | 0.366 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58 | -34.9 | 178.9 | -72.4 | 178.6 | 0 | 0 | 0 | 113 | Y1697 G1705 | Y1697-L1701 HydrophobicContact CD1-CD1 4.06Å; Y1697-L1701 HydrophobicContact CE1-CD1 3.52Å; Y1697-L1701 HydrophobicContact CE1-CG 4.3Å; Y1697-L1701 HydrophobicContact CE2-CG 4.49Å; Y1697-L1701 WeakPolarHBondContact O-CG 3.44Å; Y1697-L1701 PolarHBondContact O-N 2.88Å; Y1697-L1701 VanDerWaalsContact O-N 3.16Å; L1701-G1705 PolarHBondContact O-N 2.78Å |
| 1702 | M | 86.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68 | -40.9 | 175.6 | 177.5 | -164.5 | 73.8 | 0 | 0 | 112.2 | L1532 A1698 G1699 H1700 S1706 S1739 I1740 L1743 | L1532-M1702 HydrophobicContact CB-CE 3.59Å; L1532-M1702 HydrophobicContact CB-SD 3.57Å; L1532-M1702 VanDerWaalsContact CB-SD 3.57Å; L1532-M1702 HydrophobicContact CD1-SD 3.82Å; L1532-M1702 HydrophobicContact CG-SD 4.21Å; A1698-M1702 WeakPolarHBondContact O-CB 3.42Å; A1698-M1702 PolarHBondContact O-N 2.71Å; A1698-M1702 VanDerWaalsContact O-N 3.17Å; G1699-M1702 WeakPolarHBondContact O-CB 3.19Å; G1699-M1702 PolarHBondContact O-N 3.11Å; H1700-M1702 PolarHBondContact O-N 3.49Å; M1702-S1706 WeakPolarHBondContact O-CB 3.45Å; M1702-S1706 PolarHBondContact O-N 3.05Å; M1702-S1706 VanDerWaalsContact O-N 3.08Å; M1702-S1706 PolarHBondContact O-OG 3.27Å; M1702-S1739 WeakPolarHBondContact CA-OG 3.43Å; M1702-I1740 HydrophobicContact CG-CG1 4.16Å; M1702-I1740 HydrophobicContact SD-CG1 4.12Å; M1702-L1743 HydrophobicContact SD-CD2 4.38Å |
| 1703 | I | 85.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.4 | -45.1 | 177.4 | -61.1 | 169.7 | 0 | 0 | 0 | 110.2 | M1450 V1453 Y1454 L1457 V1529 G1699 H1700 G1705 S1706 I1707 | M1450-I1703 HydrophobicContact CB-CG2 4.33Å; V1453-I1703 HydrophobicContact CB-CD1 4.02Å; V1453-I1703 HydrophobicContact CG1-CD1 3.72Å; Y1454-I1703 HydrophobicContact CD2-CG2 4.09Å; Y1454-I1703 HydrophobicContact CE2-CB 4.31Å; Y1454-I1703 HydrophobicContact CE2-CG2 3.35Å; L1457-I1703 HydrophobicContact CD1-CD1 3.53Å; V1529-I1703 HydrophobicContact CG1-CG1 4.39Å; G1699-I1703 WeakPolarHBondContact O-CG1 3.29Å; G1699-I1703 PolarHBondContact O-N 3.08Å; G1699-I1703 VanDerWaalsContact O-N 3.17Å; H1700-I1703 PolarHBondContact O-N 3.46Å; I1703-G1705 PolarHBondContact O-N 3.29Å; I1703-S1706 PolarHBondContact O-N 3.48Å; I1703-S1706 VanDerWaalsContact O-N 3.13Å; I1703-I1707 HydrophobicContact CG2-CD1 3.8Å; I1703-I1707 HydrophobicContact CG2-CG1 4.29Å; I1703-I1707 WeakPolarHBondContact O-CB 3.2Å; I1703-I1707 WeakPolarHBondContact O-CG1 3.45Å; I1703-I1707 PolarHBondContact O-N 3.24Å |
| 1704 | D | 86.4 | Confident | 85.9 | Confident | 73 Ų | 73 | 30.5 Ų | 30.5 | 39% | 0.39 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -53.9 | -51 | 175.3 | -70 | -30.3 | 0 | 0 | 0 | 111 | Y1454 H1700 S1706 I1707 E1708 | Y1454-D1704 PolarHBondContact OH-OD1 3Å; H1700-D1704 PolarHBondContact O-N 3.38Å; D1704-S1706 VanDerWaalsContact C-N 3.33Å; D1704-S1706 PolarHBondContact O-N 3.5Å; D1704-I1707 PolarHBondContact O-N 3.44Å; D1704-E1708 PolarHBondContact O-N 3.11Å; D1704-E1708 VanDerWaalsContact O-N 3.1Å |
| 1705 | G | 84.8 | Confident | 85.6 | Confident | 7 Ų | 7 | 32.2 Ų | 32.2 | 7% | 0.072 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -38.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1701 I1703 M1709 | L1701-G1705 PolarHBondContact O-N 2.78Å; I1703-G1705 PolarHBondContact O-N 3.29Å; G1705-M1709 WeakPolarHBondContact O-CB 3.33Å; G1705-M1709 PolarHBondContact O-N 3.49Å |
| 1706 | S | 86.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.6 | -41.9 | 177.9 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | V1529 M1702 I1703 D1704 M1709 I1710 | V1529-S1706 WeakPolarHBondContact CG2-OG 3.43Å; M1702-S1706 WeakPolarHBondContact O-CB 3.45Å; M1702-S1706 PolarHBondContact O-N 3.05Å; M1702-S1706 VanDerWaalsContact O-N 3.08Å; M1702-S1706 PolarHBondContact O-OG 3.27Å; I1703-S1706 PolarHBondContact O-N 3.48Å; I1703-S1706 VanDerWaalsContact O-N 3.13Å; D1704-S1706 VanDerWaalsContact C-N 3.33Å; D1704-S1706 PolarHBondContact O-N 3.5Å; S1706-M1709 PolarHBondContact O-N 2.81Å; S1706-I1710 PolarHBondContact O-N 3.41Å |
| 1707 | I | 85.3 | Confident | 84.5 | Confident | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 176.7 | -77.5 | 176.1 | 0 | 0 | 0 | 110.7 | L1447 M1450 Q1451 Y1454 I1703 D1704 M1709 I1710 K1711 | L1447-I1707 HydrophobicContact CD2-CB 4.29Å; L1447-I1707 HydrophobicContact CD2-CG1 4.32Å; L1447-I1707 HydrophobicContact CD2-CG2 3.94Å; M1450-I1707 HydrophobicContact CB-CD1 4.16Å; M1450-I1707 HydrophobicContact CB-CG1 3.89Å; M1450-I1707 HydrophobicContact SD-CG1 4.03Å; Q1451-I1707 HydrophobicContact CG-CD1 3.93Å; Y1454-I1707 HydrophobicContact CE2-CD1 3.79Å; I1703-I1707 HydrophobicContact CG2-CD1 3.8Å; I1703-I1707 HydrophobicContact CG2-CG1 4.29Å; I1703-I1707 WeakPolarHBondContact O-CB 3.2Å; I1703-I1707 WeakPolarHBondContact O-CG1 3.45Å; I1703-I1707 PolarHBondContact O-N 3.24Å; D1704-I1707 PolarHBondContact O-N 3.44Å; I1707-M1709 VanDerWaalsContact C-N 3.35Å; I1707-I1710 PolarHBondContact O-N 3.39Å; I1707-K1711 HydrophobicContact CG2-CD 4.26Å; I1707-K1711 VanDerWaalsContact CG2-CE 3.49Å; I1707-K1711 WeakPolarHBondContact O-CG 3.22Å; I1707-K1711 PolarHBondContact O-N 3.39Å |
| 1708 | E | 87.8 | Confident | 83.8 | Confident | 62 Ų | 62 | 30.4 Ų | 30.4 | 29% | 0.29 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -68.7 | -32.6 | 177 | -68 | -55.3 | 127.6 | 0 | 0 | 112.8 | D1704 K1711 T1712 Y1732 | D1704-E1708 PolarHBondContact O-N 3.11Å; D1704-E1708 VanDerWaalsContact O-N 3.1Å; E1708-K1711 WeakPolarHBondContact OE1-CD 3.49Å; E1708-K1711 IonicContact OE1-NZ 2.69Å; E1708-K1711 PolarHBondContact OE1-NZ 3.44Å; E1708-T1712 WeakPolarHBondContact O-CG2 3.34Å; E1708-T1712 PolarHBondContact O-N 3.13Å; E1708-T1712 PolarHBondContact O-OG1 2.94Å; E1708-Y1732 HydrophobicContact CB-CD1 3.96Å; E1708-Y1732 HydrophobicContact CB-CD2 3.88Å; E1708-Y1732 HydrophobicContact CB-CE1 3.75Å; E1708-Y1732 HydrophobicContact CB-CE2 3.61Å; E1708-Y1732 HydrophobicContact CB-CG 4.04Å; E1708-Y1732 HydrophobicContact CG-CE1 4.3Å |
| 1709 | M | 86.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 171.4 | -171.4 | -174.7 | 65.6 | 0 | 0 | 112.2 | I1503 I1506 V1525 G1705 S1706 I1707 T1712 S1713 L1729 I1736 | I1503-M1709 HydrophobicContact CD1-SD 4.48Å; I1503-M1709 HydrophobicContact CG1-CE 3.94Å; I1503-M1709 HydrophobicContact CG1-SD 4.01Å; I1503-M1709 HydrophobicContact CG2-SD 4.26Å; I1506-M1709 HydrophobicContact CD1-CE 4.47Å; V1525-M1709 HydrophobicContact CG1-CE 3.6Å; V1525-M1709 HydrophobicContact CG2-CE 4.44Å; G1705-M1709 WeakPolarHBondContact O-CB 3.33Å; G1705-M1709 PolarHBondContact O-N 3.49Å; S1706-M1709 PolarHBondContact O-N 2.81Å; I1707-M1709 VanDerWaalsContact C-N 3.35Å; M1709-T1712 WeakPolarHBondContact CA-OG1 3.37Å; M1709-T1712 PolarHBondContact O-N 3.41Å; M1709-T1712 PolarHBondContact O-OG1 3.27Å; M1709-S1713 WeakPolarHBondContact O-CB 3.48Å; M1709-S1713 PolarHBondContact O-N 2.97Å; M1709-S1713 PolarHBondContact O-OG 3.15Å; M1709-L1729 HydrophobicContact CG-CD1 3.72Å; M1709-I1736 HydrophobicContact CB-CD1 3.86Å; M1709-I1736 HydrophobicContact CE-CD1 3.74Å; M1709-I1736 HydrophobicContact CG-CD1 4.27Å; M1709-I1736 HydrophobicContact SD-CD1 3.51Å; M1709-I1736 VanDerWaalsContact SD-CD1 3.51Å |
| 1710 | I | 86.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.6 | -40.1 | 176.9 | -68.2 | -171.8 | 0 | 0 | 0 | 111.4 | C1443 A1446 L1447 M1450 V1522 S1706 I1707 T1712 S1713 K1714 | C1443-I1710 HydrophobicContact CB-CG2 3.97Å; A1446-I1710 HydrophobicContact CB-CD1 3.58Å; L1447-I1710 HydrophobicContact CD1-CG2 4.32Å; L1447-I1710 HydrophobicContact CD2-CB 4.12Å; L1447-I1710 HydrophobicContact CD2-CG2 4.07Å; L1447-I1710 HydrophobicContact CG-CB 4.44Å; L1447-I1710 HydrophobicContact CG-CG2 3.84Å; M1450-I1710 HydrophobicContact CE-CD1 3.31Å; M1450-I1710 HydrophobicContact CE-CG1 4.25Å; M1450-I1710 HydrophobicContact SD-CD1 4Å; V1522-I1710 HydrophobicContact CG1-CD1 4.3Å; S1706-I1710 PolarHBondContact O-N 3.41Å; I1707-I1710 PolarHBondContact O-N 3.39Å; I1710-T1712 VanDerWaalsContact C-N 3.31Å; I1710-T1712 PolarHBondContact O-N 2.99Å; I1710-S1713 WeakPolarHBondContact O-CB 3.36Å; I1710-S1713 PolarHBondContact O-N 2.86Å; I1710-K1714 WeakPolarHBondContact O-CB 3.22Å; I1710-K1714 PolarHBondContact O-N 3.27Å |
| 1711 | K | 84.9 | Confident | 81.6 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.1 | -43.3 | 172.6 | -71.7 | 170.7 | -172.2 | 169.4 | 0 | 112.1 | L1447 I1707 E1708 K1714 L1715 | L1447-K1711 HydrophobicContact CD1-CG 4.26Å; L1447-K1711 HydrophobicContact CD2-CG 4.17Å; I1707-K1711 HydrophobicContact CG2-CD 4.26Å; I1707-K1711 VanDerWaalsContact CG2-CE 3.49Å; I1707-K1711 WeakPolarHBondContact O-CG 3.22Å; I1707-K1711 PolarHBondContact O-N 3.39Å; E1708-K1711 WeakPolarHBondContact OE1-CD 3.49Å; E1708-K1711 IonicContact OE1-NZ 2.69Å; E1708-K1711 PolarHBondContact OE1-NZ 3.44Å; K1711-K1714 WeakPolarHBondContact O-CB 3.4Å; K1711-K1714 PolarHBondContact O-N 3.34Å; K1711-L1715 PolarHBondContact O-N 2.98Å |
| 1712 | T | 84.9 | Confident | 81 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.8 | -33.2 | 176.4 | 47.3 | 0 | 0 | 0 | 0 | 113.4 | E1708 M1709 I1710 K1714 L1715 L1716 L1728 Y1732 | E1708-T1712 WeakPolarHBondContact O-CG2 3.34Å; E1708-T1712 PolarHBondContact O-N 3.13Å; E1708-T1712 PolarHBondContact O-OG1 2.94Å; M1709-T1712 WeakPolarHBondContact CA-OG1 3.37Å; M1709-T1712 PolarHBondContact O-N 3.41Å; M1709-T1712 PolarHBondContact O-OG1 3.27Å; I1710-T1712 VanDerWaalsContact C-N 3.31Å; I1710-T1712 PolarHBondContact O-N 2.99Å; T1712-K1714 VanDerWaalsContact C-N 3.32Å; T1712-K1714 PolarHBondContact O-N 3.43Å; T1712-L1715 WeakPolarHBondContact O-CB 3.49Å; T1712-L1715 PolarHBondContact O-N 2.85Å; T1712-L1715 VanDerWaalsContact O-N 3.13Å; T1712-L1716 PolarHBondContact O-N 3.38Å; T1712-L1728 HydrophobicContact CG2-CB 4.38Å; T1712-L1728 HydrophobicContact CG2-CD2 3.53Å; T1712-L1728 HydrophobicContact CG2-CG 3.85Å; T1712-Y1732 HydrophobicContact CG2-CD2 3.96Å; T1712-Y1732 HydrophobicContact CG2-CE2 3.67Å |
| 1713 | S | 81.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -38 | 171.3 | -58 | 0 | 0 | 0 | 0 | 111.8 | I1506 M1709 I1710 L1715 L1716 A1717 L1729 | I1506-S1713 VanDerWaalsContact CG2-OG 3.23Å; I1506-S1713 WeakPolarHBondContact CG2-OG 3.48Å; M1709-S1713 WeakPolarHBondContact O-CB 3.48Å; M1709-S1713 PolarHBondContact O-N 2.97Å; M1709-S1713 PolarHBondContact O-OG 3.15Å; I1710-S1713 WeakPolarHBondContact O-CB 3.36Å; I1710-S1713 PolarHBondContact O-N 2.86Å; S1713-L1715 VanDerWaalsContact C-N 3.25Å; S1713-L1715 PolarHBondContact O-N 2.9Å; S1713-L1716 PolarHBondContact O-N 2.97Å; S1713-A1717 PolarHBondContact O-N 3.31Å; S1713-L1729 VanDerWaalsContact OG-CD1 3.31Å; S1713-L1729 WeakPolarHBondContact OG-CD1 3.32Å |
| 1714 | K | 81.7 | Confident | 80.2 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 24% | 0.235 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -34.1 | 172.6 | -160.1 | -178.1 | -172.8 | 177.5 | 0 | 111.9 | W1439 C1443 D1444 I1710 K1711 T1712 L1718 | W1439-K1714 HydrophobicContact CZ3-CG 3.73Å; W1439-K1714 WeakPolarHBondContact CZ3-O 3.42Å; C1443-K1714 HydrophobicContact CB-CB 4.41Å; C1443-K1714 HydrophobicContact CB-CD 4.28Å; C1443-K1714 HydrophobicContact CB-CG 4.2Å; D1444-K1714 IonicContact OD1-NZ 2.72Å; D1444-K1714 PolarHBondContact OD1-NZ 2.77Å; D1444-K1714 IonicContact OD2-NZ 3.21Å; D1444-K1714 PolarHBondContact OD2-NZ 2.9Å; I1710-K1714 WeakPolarHBondContact O-CB 3.22Å; I1710-K1714 PolarHBondContact O-N 3.27Å; K1711-K1714 WeakPolarHBondContact O-CB 3.4Å; K1711-K1714 PolarHBondContact O-N 3.34Å; T1712-K1714 VanDerWaalsContact C-N 3.32Å; T1712-K1714 PolarHBondContact O-N 3.43Å; K1714-L1718 WeakPolarHBondContact O-CG 3.38Å; K1714-L1718 PolarHBondContact O-N 2.93Å |
| 1715 | L | 80 | Confident | 79.8 | Confident | 92 Ų | 92 | 47.4 Ų | 47.4 | 48% | 0.482 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -74.2 | -38.7 | 173.5 | -64.8 | 172 | 0 | 0 | 0 | 112.5 | K1711 T1712 S1713 L1718 N1719 T1725 | K1711-L1715 PolarHBondContact O-N 2.98Å; T1712-L1715 WeakPolarHBondContact O-CB 3.49Å; T1712-L1715 PolarHBondContact O-N 2.85Å; T1712-L1715 VanDerWaalsContact O-N 3.13Å; S1713-L1715 VanDerWaalsContact C-N 3.25Å; S1713-L1715 PolarHBondContact O-N 2.9Å; L1715-L1718 WeakPolarHBondContact O-CB 3.4Å; L1715-L1718 PolarHBondContact O-N 3.39Å; L1715-N1719 PolarHBondContact O-N 3.02Å; L1715-T1725 HydrophobicContact CB-CG2 3.92Å |
| 1716 | L | 76.9 | Confident | 79.6 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.8 | -35.4 | 175.3 | -72.2 | 172.4 | 0 | 0 | 0 | 112.8 | A1510 T1712 S1713 L1718 N1719 A1720 T1725 W1726 L1729 | A1510-L1716 HydrophobicContact CB-CB 4.41Å; T1712-L1716 PolarHBondContact O-N 3.38Å; S1713-L1716 PolarHBondContact O-N 2.97Å; L1716-L1718 VanDerWaalsContact C-N 3.25Å; L1716-L1718 PolarHBondContact O-N 3Å; L1716-N1719 CarbonylContact O-C 3.58Å; L1716-N1719 PolarHBondContact O-N 3.1Å; L1716-A1720 VanDerWaalsContact O-CA 3.29Å; L1716-A1720 WeakPolarHBondContact O-CA 3.35Å; L1716-A1720 PolarHBondContact O-N 2.84Å; L1716-T1725 HydrophobicContact CD1-CG2 4.44Å; L1716-T1725 HydrophobicContact CD2-CG2 3.76Å; L1716-T1725 HydrophobicContact CG-CG2 3.65Å; L1716-W1726 HydrophobicContact CD1-CD2 4.17Å; L1716-W1726 HydrophobicContact CD1-CE3 4Å; L1716-W1726 HydrophobicContact CD1-CH2 4.29Å; L1716-W1726 HydrophobicContact CD1-CZ2 4.49Å; L1716-W1726 HydrophobicContact CD1-CZ3 4.06Å; L1716-W1726 HydrophobicContact CD2-CD2 3.92Å; L1716-W1726 HydrophobicContact CD2-CG 4.02Å; L1716-W1726 HydrophobicContact CD2-CZ2 4.21Å; L1716-L1729 HydrophobicContact CD1-CB 4Å; L1716-L1729 HydrophobicContact CD1-CD1 4.24Å; L1716-L1729 HydrophobicContact CD1-CD2 3.71Å; L1716-L1729 HydrophobicContact CD1-CG 4.19Å |
| 1717 | A | 73.4 | Confident | 79.4 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -26.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | W1439 L1515 F1518 S1713 | W1439-A1717 HydrophobicContact CD2-CB 3.82Å; W1439-A1717 HydrophobicContact CE3-CB 3.39Å; W1439-A1717 HydrophobicContact CH2-CB 4.16Å; W1439-A1717 HydrophobicContact CZ2-CB 4.5Å; W1439-A1717 HydrophobicContact CZ3-CB 3.57Å; L1515-A1717 HydrophobicContact CD2-CB 4.4Å; F1518-A1717 HydrophobicContact CE1-CB 4.08Å; F1518-A1717 HydrophobicContact CE2-CB 4.44Å; F1518-A1717 HydrophobicContact CZ-CB 3.93Å; S1713-A1717 PolarHBondContact O-N 3.31Å |
| 1718 | L | 74.5 | Confident | 79.3 | Confident | 112 Ų | 112 | 59.9 Ų | 59.9 | 59% | 0.586 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -77.7 | -39.4 | 169.2 | -68.9 | 167.8 | 0 | 0 | 0 | 112.5 | W1439 K1714 L1715 L1716 | W1439-L1718 HydrophobicContact CH2-CD1 4.48Å; W1439-L1718 HydrophobicContact CH2-CD2 3.54Å; W1439-L1718 HydrophobicContact CH2-CG 3.61Å; W1439-L1718 HydrophobicContact CZ2-CD2 3.8Å; W1439-L1718 HydrophobicContact CZ2-CG 4.28Å; W1439-L1718 HydrophobicContact CZ3-CG 4.48Å; K1714-L1718 WeakPolarHBondContact O-CG 3.38Å; K1714-L1718 PolarHBondContact O-N 2.93Å; L1715-L1718 WeakPolarHBondContact O-CB 3.4Å; L1715-L1718 PolarHBondContact O-N 3.39Å; L1716-L1718 VanDerWaalsContact C-N 3.25Å; L1716-L1718 PolarHBondContact O-N 3Å |
| 1719 | N | 72.8 | Confident | 79 | Confident | 88 Ų | 88 | 57.5 Ų | 57.5 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | trans | -145.5 | 82.8 | -175.4 | -173.5 | 6.9 | 0 | 0 | 0 | 112.5 | L1715 L1716 K1721 D1722 | L1715-N1719 PolarHBondContact O-N 3.02Å; L1716-N1719 CarbonylContact O-C 3.58Å; L1716-N1719 PolarHBondContact O-N 3.1Å; N1719-K1721 PolarHBondContact O-N 3.31Å; N1719-K1721 PolarHBondContact OD1-N 3.25Å; N1719-D1722 PolarHBondContact O-N 2.93Å | ||
| 1720 | A | 67.3 | Low | 78.6 | Confident | 40 Ų | 40 | 60.2 Ų | 60.2 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -8.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1510 L1716 W1726 | A1510-A1720 VanDerWaalsContact O-CB 3.27Å; A1510-A1720 WeakPolarHBondContact O-CB 3.37Å; L1716-A1720 VanDerWaalsContact O-CA 3.29Å; L1716-A1720 WeakPolarHBondContact O-CA 3.35Å; L1716-A1720 PolarHBondContact O-N 2.84Å; A1720-W1726 PolarHBondContact O-NE1 2.89Å |
| 1721 | K | 72.4 | Confident | 78.6 | Confident | 186 Ų | 186 | 64.3 Ų | 64.3 | 81% | 0.809 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -1.9 | -176.7 | -69.2 | -173.2 | 179.3 | 178.5 | 0 | 114.6 | N1719 P1723 | N1719-K1721 PolarHBondContact O-N 3.31Å; N1719-K1721 PolarHBondContact OD1-N 3.25Å; K1721-P1723 WeakPolarHBondContact O-CD 3.45Å |
| 1722 | D | 75 | Confident | 78.7 | Confident | 48 Ų | 48 | 62.9 Ų | 62.9 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | trans | -81.6 | 109.7 | -174 | -174.3 | 62.7 | 0 | 0 | 0 | 113.8 | N1719 P1724 T1725 W1726 | N1719-D1722 PolarHBondContact O-N 2.93Å; D1722-P1724 WeakPolarHBondContact OD2-CD 3.31Å; D1722-T1725 PolarHBondContact O-N 3.21Å; D1722-T1725 VanDerWaalsContact OD2-CB 3.32Å; D1722-T1725 WeakPolarHBondContact OD2-CB 3.28Å; D1722-T1725 PolarHBondContact OD2-N 3.47Å; D1722-T1725 PolarHBondContact OD2-OG1 3.01Å; D1722-W1726 PolarHBondContact O-N 3.37Å | ||
| 1723 | P | 75.5 | Confident | 78.4 | Confident | 86 Ų | 86 | 64 Ų | 64 | 56% | 0.558 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66 | -38.6 | -175.1 | -18.9 | 32.9 | 0 | 0 | 0 | 115.6 | K1721 T1725 W1726 Q1727 | K1721-P1723 WeakPolarHBondContact O-CD 3.45Å; P1723-T1725 VanDerWaalsContact C-N 3.35Å; P1723-T1725 PolarHBondContact O-N 3.15Å; P1723-W1726 PolarHBondContact O-N 3.43Å; P1723-Q1727 PolarHBondContact O-N 3.19Å; P1723-Q1727 VanDerWaalsContact O-N 3.13Å |
| 1724 | P | 80 | Confident | 78.5 | Confident | 78 Ų | 78 | 72.5 Ų | 72.5 | 51% | 0.506 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.6 | -44.6 | 172.9 | -26.9 | 34.6 | 0 | 0 | 0 | 113 | D1722 W1726 Q1727 L1728 | D1722-P1724 WeakPolarHBondContact OD2-CD 3.31Å; P1724-W1726 VanDerWaalsContact C-N 3.31Å; P1724-W1726 PolarHBondContact O-N 2.85Å; P1724-Q1727 WeakPolarHBondContact O-CB 3.5Å; P1724-Q1727 PolarHBondContact O-N 3.28Å; P1724-Q1727 VanDerWaalsContact O-N 3.12Å; P1724-L1728 PolarHBondContact O-N 3.5Å |
| 1725 | T | 77.8 | Confident | 78.5 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.6 | -33 | -179.6 | -51 | 0 | 0 | 0 | 0 | 111.8 | L1715 L1716 D1722 P1723 L1728 L1729 | L1715-T1725 HydrophobicContact CB-CG2 3.92Å; L1716-T1725 HydrophobicContact CD1-CG2 4.44Å; L1716-T1725 HydrophobicContact CD2-CG2 3.76Å; L1716-T1725 HydrophobicContact CG-CG2 3.65Å; D1722-T1725 PolarHBondContact O-N 3.21Å; D1722-T1725 VanDerWaalsContact OD2-CB 3.32Å; D1722-T1725 WeakPolarHBondContact OD2-CB 3.28Å; D1722-T1725 PolarHBondContact OD2-N 3.47Å; D1722-T1725 PolarHBondContact OD2-OG1 3.01Å; P1723-T1725 VanDerWaalsContact C-N 3.35Å; P1723-T1725 PolarHBondContact O-N 3.15Å; T1725-L1728 PolarHBondContact O-N 2.72Å; T1725-L1729 PolarHBondContact O-N 3.15Å |
| 1726 | W | 81.4 | Confident | 78.6 | Confident | 64 Ų | 64 | 67.8 Ų | 67.8 | 24% | 0.242 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 170.2 | -77.5 | 109.4 | 0 | 0 | 0 | 113.3 | A1507 A1510 K1511 L1716 A1720 D1722 P1723 P1724 L1728 L1729 A1730 | A1507-W1726 HydrophobicContact CB-CZ3 4.03Å; A1507-W1726 VanDerWaalsContact O-CH2 3.22Å; A1507-W1726 WeakPolarHBondContact O-CH2 3.38Å; A1510-W1726 HydrophobicContact CB-CH2 4.2Å; K1511-W1726 HydrophobicContact CB-CH2 3.83Å; K1511-W1726 HydrophobicContact CB-CZ2 3.95Å; K1511-W1726 HydrophobicContact CG-CZ2 4.47Å; L1716-W1726 HydrophobicContact CD1-CD2 4.17Å; L1716-W1726 HydrophobicContact CD1-CE3 4Å; L1716-W1726 HydrophobicContact CD1-CH2 4.29Å; L1716-W1726 HydrophobicContact CD1-CZ2 4.49Å; L1716-W1726 HydrophobicContact CD1-CZ3 4.06Å; L1716-W1726 HydrophobicContact CD2-CD2 3.92Å; L1716-W1726 HydrophobicContact CD2-CG 4.02Å; L1716-W1726 HydrophobicContact CD2-CZ2 4.21Å; A1720-W1726 PolarHBondContact O-NE1 2.89Å; D1722-W1726 PolarHBondContact O-N 3.37Å; P1723-W1726 PolarHBondContact O-N 3.43Å; P1724-W1726 VanDerWaalsContact C-N 3.31Å; P1724-W1726 PolarHBondContact O-N 2.85Å; W1726-L1728 VanDerWaalsContact C-N 3.33Å; W1726-L1729 HydrophobicContact CE3-CD2 4.14Å; W1726-L1729 HydrophobicContact CZ3-CD2 3.98Å; W1726-A1730 WeakPolarHBondContact O-CB 3.43Å; W1726-A1730 PolarHBondContact O-N 3.21Å; W1726-A1730 VanDerWaalsContact O-N 3.1Å |
| 1727 | Q | 82.3 | Confident | 78.8 | Confident | 142 Ų | 142 | 70.3 Ų | 70.3 | 66% | 0.664 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67 | -36.3 | 174.4 | -70.3 | -177.7 | -15.1 | 0 | 0 | 111.9 | P1723 P1724 A1730 T1731 | P1723-Q1727 PolarHBondContact O-N 3.19Å; P1723-Q1727 VanDerWaalsContact O-N 3.13Å; P1724-Q1727 WeakPolarHBondContact O-CB 3.5Å; P1724-Q1727 PolarHBondContact O-N 3.28Å; P1724-Q1727 VanDerWaalsContact O-N 3.12Å; Q1727-A1730 PolarHBondContact O-N 2.89Å; Q1727-T1731 PolarHBondContact O-N 3.31Å; Q1727-T1731 PolarHBondContact O-OG1 3.2Å |
| 1728 | L | 82.5 | Confident | 79.2 | Confident | 72 Ų | 72 | 72.9 Ų | 72.9 | 38% | 0.377 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.3 | -43.4 | 178.3 | -162.2 | 62 | 0 | 0 | 0 | 111.3 | T1712 P1724 T1725 W1726 A1730 T1731 Y1732 | T1712-L1728 HydrophobicContact CG2-CB 4.38Å; T1712-L1728 HydrophobicContact CG2-CD2 3.53Å; T1712-L1728 HydrophobicContact CG2-CG 3.85Å; P1724-L1728 PolarHBondContact O-N 3.5Å; T1725-L1728 PolarHBondContact O-N 2.72Å; W1726-L1728 VanDerWaalsContact C-N 3.33Å; L1728-A1730 VanDerWaalsContact C-N 3.32Å; L1728-A1730 PolarHBondContact O-N 2.97Å; L1728-T1731 WeakPolarHBondContact O-CB 3.2Å; L1728-T1731 PolarHBondContact O-N 3.29Å; L1728-Y1732 HydrophobicContact CD1-CE2 3.93Å; L1728-Y1732 HydrophobicContact CD2-CE2 4.11Å; L1728-Y1732 HydrophobicContact CG-CD2 4.13Å; L1728-Y1732 HydrophobicContact CG-CE2 3.59Å; L1728-Y1732 WeakPolarHBondContact O-CD2 3.45Å; L1728-Y1732 PolarHBondContact O-N 2.87Å |
| 1729 | L | 81.1 | Confident | 79.7 | Confident | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.8 | -44.5 | 171.1 | -171.8 | 82.2 | 0 | 0 | 0 | 111.7 | I1506 A1507 M1709 S1713 L1716 T1725 W1726 T1731 Y1732 S1733 | I1506-L1729 HydrophobicContact CG2-CD1 4.49Å; A1507-L1729 HydrophobicContact CB-CD2 4.14Å; M1709-L1729 HydrophobicContact CG-CD1 3.72Å; S1713-L1729 VanDerWaalsContact OG-CD1 3.31Å; S1713-L1729 WeakPolarHBondContact OG-CD1 3.32Å; L1716-L1729 HydrophobicContact CD1-CB 4Å; L1716-L1729 HydrophobicContact CD1-CD1 4.24Å; L1716-L1729 HydrophobicContact CD1-CD2 3.71Å; L1716-L1729 HydrophobicContact CD1-CG 4.19Å; T1725-L1729 PolarHBondContact O-N 3.15Å; W1726-L1729 HydrophobicContact CE3-CD2 4.14Å; W1726-L1729 HydrophobicContact CZ3-CD2 3.98Å; L1729-T1731 PolarHBondContact O-N 3.17Å; L1729-Y1732 PolarHBondContact O-N 2.92Å; L1729-S1733 WeakPolarHBondContact O-CB 3.38Å; L1729-S1733 PolarHBondContact O-N 3.01Å; L1729-S1733 PolarHBondContact O-OG 3.24Å |
| 1730 | A | 79.2 | Confident | 80.1 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.5 | -23.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W1726 Q1727 L1728 S1733 R1734 | W1726-A1730 WeakPolarHBondContact O-CB 3.43Å; W1726-A1730 PolarHBondContact O-N 3.21Å; W1726-A1730 VanDerWaalsContact O-N 3.1Å; Q1727-A1730 PolarHBondContact O-N 2.89Å; L1728-A1730 VanDerWaalsContact C-N 3.32Å; L1728-A1730 PolarHBondContact O-N 2.97Å; A1730-S1733 PolarHBondContact O-OG 3.45Å; A1730-R1734 WeakPolarHBondContact O-CB 3.49Å; A1730-R1734 PolarHBondContact O-N 2.85Å |
| 1731 | T | 85.8 | Confident | 80.8 | Confident | 85 Ų | 85 | 68.5 Ų | 68.5 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -78.2 | -45.6 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 110.3 | Q1727 L1728 L1729 R1734 A1735 | Q1727-T1731 PolarHBondContact O-N 3.31Å; Q1727-T1731 PolarHBondContact O-OG1 3.2Å; L1728-T1731 WeakPolarHBondContact O-CB 3.2Å; L1728-T1731 PolarHBondContact O-N 3.29Å; L1729-T1731 PolarHBondContact O-N 3.17Å; T1731-R1734 PolarHBondContact O-N 2.92Å; T1731-A1735 PolarHBondContact O-N 2.89Å |
| 1732 | Y | 86 | Confident | 81.3 | Confident | 56 Ų | 56 | 61.1 Ų | 61.1 | 22% | 0.22 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 177.5 | -64.1 | -45.6 | 0 | 0 | 0 | 113.1 | E1708 T1712 L1728 L1729 R1734 A1735 I1736 | E1708-Y1732 HydrophobicContact CB-CD1 3.96Å; E1708-Y1732 HydrophobicContact CB-CD2 3.88Å; E1708-Y1732 HydrophobicContact CB-CE1 3.75Å; E1708-Y1732 HydrophobicContact CB-CE2 3.61Å; E1708-Y1732 HydrophobicContact CB-CG 4.04Å; E1708-Y1732 HydrophobicContact CG-CE1 4.3Å; T1712-Y1732 HydrophobicContact CG2-CD2 3.96Å; T1712-Y1732 HydrophobicContact CG2-CE2 3.67Å; L1728-Y1732 HydrophobicContact CD1-CE2 3.93Å; L1728-Y1732 HydrophobicContact CD2-CE2 4.11Å; L1728-Y1732 HydrophobicContact CG-CD2 4.13Å; L1728-Y1732 HydrophobicContact CG-CE2 3.59Å; L1728-Y1732 WeakPolarHBondContact O-CD2 3.45Å; L1728-Y1732 PolarHBondContact O-N 2.87Å; L1729-Y1732 PolarHBondContact O-N 2.92Å; Y1732-R1734 PolarHBondContact O-N 3.35Å; Y1732-A1735 WeakPolarHBondContact O-CB 3.39Å; Y1732-A1735 PolarHBondContact O-N 2.93Å; Y1732-A1735 VanDerWaalsContact O-N 3.13Å; Y1732-I1736 VanDerWaalsContact O-CG1 3.31Å; Y1732-I1736 WeakPolarHBondContact O-CG1 3.33Å; Y1732-I1736 PolarHBondContact O-N 2.86Å |
| 1733 | S | 79.5 | Confident | 81.8 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 20% | 0.203 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.1 | -31.7 | 174.2 | 67.4 | 0 | 0 | 0 | 0 | 112.9 | L1729 A1730 S1737 | L1729-S1733 WeakPolarHBondContact O-CB 3.38Å; L1729-S1733 PolarHBondContact O-N 3.01Å; L1729-S1733 PolarHBondContact O-OG 3.24Å; A1730-S1733 PolarHBondContact O-OG 3.45Å; S1733-S1737 WeakPolarHBondContact O-CB 3.32Å; S1733-S1737 PolarHBondContact O-N 3.45Å; S1733-S1737 VanDerWaalsContact O-N 3.07Å; S1733-S1737 PolarHBondContact O-OG 2.96Å |
| 1734 | R | 82.9 | Confident | 82.1 | Confident | 178 Ų | 178 | 56.9 Ų | 56.9 | 67% | 0.672 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -70.6 | -43.6 | 171.3 | -166.5 | 178.8 | -162.8 | 151.8 | 6.6 | 112 | A1730 T1731 Y1732 I1736 S1737 D1738 | A1730-R1734 WeakPolarHBondContact O-CB 3.49Å; A1730-R1734 PolarHBondContact O-N 2.85Å; T1731-R1734 PolarHBondContact O-N 2.92Å; Y1732-R1734 PolarHBondContact O-N 3.35Å; R1734-I1736 VanDerWaalsContact C-N 3.34Å; R1734-I1736 PolarHBondContact O-N 3.35Å; R1734-S1737 WeakPolarHBondContact O-CB 3.42Å; R1734-S1737 PolarHBondContact O-N 3.43Å; R1734-S1737 VanDerWaalsContact O-N 3.12Å; R1734-D1738 PolarHBondContact O-N 3.48Å |
| 1735 | A | 82.5 | Confident | 82.4 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1731 Y1732 S1737 D1738 S1739 | T1731-A1735 PolarHBondContact O-N 2.89Å; Y1732-A1735 WeakPolarHBondContact O-CB 3.39Å; Y1732-A1735 PolarHBondContact O-N 2.93Å; Y1732-A1735 VanDerWaalsContact O-N 3.13Å; A1735-S1737 PolarHBondContact O-N 2.91Å; A1735-D1738 PolarHBondContact O-N 3.25Å; A1735-S1739 WeakPolarHBondContact O-CB 3.43Å; A1735-S1739 PolarHBondContact O-N 3.27Å; A1735-S1739 PolarHBondContact O-OG 3.28Å; A1735-S1739 VanDerWaalsContact O-OG 3.13Å |
| 1736 | I | 82.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 172.8 | -64.3 | 162.4 | 0 | 0 | 0 | 110.9 | I1503 M1709 Y1732 R1734 D1738 S1739 I1740 | I1503-I1736 HydrophobicContact CD1-CG2 4.4Å; M1709-I1736 HydrophobicContact CB-CD1 3.86Å; M1709-I1736 HydrophobicContact CE-CD1 3.74Å; M1709-I1736 HydrophobicContact CG-CD1 4.27Å; M1709-I1736 HydrophobicContact SD-CD1 3.51Å; M1709-I1736 VanDerWaalsContact SD-CD1 3.51Å; Y1732-I1736 VanDerWaalsContact O-CG1 3.31Å; Y1732-I1736 WeakPolarHBondContact O-CG1 3.33Å; Y1732-I1736 PolarHBondContact O-N 2.86Å; R1734-I1736 VanDerWaalsContact C-N 3.34Å; R1734-I1736 PolarHBondContact O-N 3.35Å; I1736-D1738 VanDerWaalsContact C-N 3.3Å; I1736-D1738 PolarHBondContact O-N 2.88Å; I1736-S1739 WeakPolarHBondContact CA-OG 3.35Å; I1736-S1739 PolarHBondContact O-N 2.7Å; I1736-S1739 PolarHBondContact O-OG 2.79Å; I1736-I1740 HydrophobicContact CG2-CD1 3.74Å; I1736-I1740 HydrophobicContact CG2-CG1 4.49Å; I1736-I1740 WeakPolarHBondContact O-CB 3.12Å; I1736-I1740 WeakPolarHBondContact O-CD1 3.36Å; I1736-I1740 VanDerWaalsContact O-CG1 3.24Å; I1736-I1740 WeakPolarHBondContact O-CG1 3.48Å; I1736-I1740 PolarHBondContact O-N 2.85Å |
| 1737 | S | 80.3 | Confident | 82.8 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 38% | 0.378 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.2 | -35 | 178.8 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | S1733 R1734 A1735 K1741 | S1733-S1737 WeakPolarHBondContact O-CB 3.32Å; S1733-S1737 PolarHBondContact O-N 3.45Å; S1733-S1737 VanDerWaalsContact O-N 3.07Å; S1733-S1737 PolarHBondContact O-OG 2.96Å; R1734-S1737 WeakPolarHBondContact O-CB 3.42Å; R1734-S1737 PolarHBondContact O-N 3.43Å; R1734-S1737 VanDerWaalsContact O-N 3.12Å; A1735-S1737 PolarHBondContact O-N 2.91Å; S1737-K1741 WeakPolarHBondContact O-CE 3.16Å; S1737-K1741 VanDerWaalsContact O-CG 3.3Å; S1737-K1741 WeakPolarHBondContact O-CG 3.29Å; S1737-K1741 PolarHBondContact O-N 3.27Å |
| 1738 | D | 82.4 | Confident | 82.8 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -84.5 | -32.5 | -179.2 | -68.7 | -26 | 0 | 0 | 0 | 111.9 | R1734 A1735 I1736 K1741 G1742 | R1734-D1738 PolarHBondContact O-N 3.48Å; A1735-D1738 PolarHBondContact O-N 3.25Å; I1736-D1738 VanDerWaalsContact C-N 3.3Å; I1736-D1738 PolarHBondContact O-N 2.88Å; D1738-K1741 PolarHBondContact O-N 3.29Å; D1738-K1741 IonicContact OD1-NZ 3.74Å; D1738-K1741 PolarHBondContact OD1-NZ 3.42Å; D1738-G1742 PolarHBondContact O-N 3.48Å |
| 1739 | S | 84.7 | Confident | 82.8 | Confident | 11 Ų | 11 | 56 Ų | 56 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 170.4 | 61.4 | 0 | 0 | 0 | 0 | 112.2 | M1702 A1735 I1736 G1742 L1743 | M1702-S1739 WeakPolarHBondContact CA-OG 3.43Å; A1735-S1739 WeakPolarHBondContact O-CB 3.43Å; A1735-S1739 PolarHBondContact O-N 3.27Å; A1735-S1739 PolarHBondContact O-OG 3.28Å; A1735-S1739 VanDerWaalsContact O-OG 3.13Å; I1736-S1739 WeakPolarHBondContact CA-OG 3.35Å; I1736-S1739 PolarHBondContact O-N 2.7Å; I1736-S1739 PolarHBondContact O-OG 2.79Å; S1739-G1742 CarbonylContact O-C 3.57Å; S1739-G1742 WeakPolarHBondContact O-CA 3.43Å; S1739-G1742 PolarHBondContact O-N 3Å; S1739-L1743 WeakPolarHBondContact O-CB 3.42Å; S1739-L1743 PolarHBondContact O-N 3.08Å |
| 1740 | I | 80.2 | Confident | 82.6 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 173.7 | -70.3 | 167.5 | 0 | 0 | 0 | 111.2 | L1499 L1532 M1702 I1736 G1742 L1743 I1744 | L1499-I1740 HydrophobicContact CD2-CD1 3.56Å; L1532-I1740 HydrophobicContact CD1-CD1 4.11Å; L1532-I1740 HydrophobicContact CD1-CG1 4.43Å; M1702-I1740 HydrophobicContact CG-CG1 4.16Å; M1702-I1740 HydrophobicContact SD-CG1 4.12Å; I1736-I1740 HydrophobicContact CG2-CD1 3.74Å; I1736-I1740 HydrophobicContact CG2-CG1 4.49Å; I1736-I1740 WeakPolarHBondContact O-CB 3.12Å; I1736-I1740 WeakPolarHBondContact O-CD1 3.36Å; I1736-I1740 VanDerWaalsContact O-CG1 3.24Å; I1736-I1740 WeakPolarHBondContact O-CG1 3.48Å; I1736-I1740 PolarHBondContact O-N 2.85Å; I1740-G1742 VanDerWaalsContact C-N 3.32Å; I1740-G1742 PolarHBondContact O-N 2.77Å; I1740-L1743 PolarHBondContact O-N 2.99Å; I1740-I1744 HydrophobicContact CG2-CD1 3.97Å; I1740-I1744 WeakPolarHBondContact O-CG1 3.49Å; I1740-I1744 PolarHBondContact O-N 3.49Å |
| 1741 | K | 82.2 | Confident | 82.4 | Confident | 124 Ų | 124 | 58.9 Ų | 58.9 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 171.5 | -68.9 | 166.2 | -156.3 | 159.3 | 0 | 111.5 | S1737 D1738 L1743 I1744 A1745 | S1737-K1741 WeakPolarHBondContact O-CE 3.16Å; S1737-K1741 VanDerWaalsContact O-CG 3.3Å; S1737-K1741 WeakPolarHBondContact O-CG 3.29Å; S1737-K1741 PolarHBondContact O-N 3.27Å; D1738-K1741 PolarHBondContact O-N 3.29Å; D1738-K1741 IonicContact OD1-NZ 3.74Å; D1738-K1741 PolarHBondContact OD1-NZ 3.42Å; K1741-L1743 VanDerWaalsContact C-N 3.34Å; K1741-I1744 PolarHBondContact O-N 2.84Å; K1741-A1745 WeakPolarHBondContact O-CB 3.32Å; K1741-A1745 PolarHBondContact O-N 2.84Å |
| 1742 | G | 84.3 | Confident | 82 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1738 S1739 I1740 A1745 A1746 | D1738-G1742 PolarHBondContact O-N 3.48Å; S1739-G1742 CarbonylContact O-C 3.57Å; S1739-G1742 WeakPolarHBondContact O-CA 3.43Å; S1739-G1742 PolarHBondContact O-N 3Å; I1740-G1742 VanDerWaalsContact C-N 3.32Å; I1740-G1742 PolarHBondContact O-N 2.77Å; G1742-A1745 PolarHBondContact O-N 3.08Å; G1742-A1746 VanDerWaalsContact O-CB 3.26Å; G1742-A1746 WeakPolarHBondContact O-CB 3.47Å; G1742-A1746 PolarHBondContact O-N 2.86Å |
| 1743 | L | 84.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.8 | -47.5 | 176 | -178.6 | 63.5 | 0 | 0 | 0 | 111.6 | V1476 A1536 I1695 A1698 M1702 S1739 I1740 K1741 A1745 A1746 I1747 | V1476-L1743 HydrophobicContact CG1-CD2 4.1Å; V1476-L1743 HydrophobicContact CG1-CG 4.36Å; A1536-L1743 HydrophobicContact CB-CD1 3.86Å; A1536-L1743 HydrophobicContact CB-CD2 4.1Å; I1695-L1743 HydrophobicContact CG2-CD1 3.82Å; A1698-L1743 HydrophobicContact CB-CB 3.93Å; A1698-L1743 HydrophobicContact CB-CD1 4.16Å; M1702-L1743 HydrophobicContact SD-CD2 4.38Å; S1739-L1743 WeakPolarHBondContact O-CB 3.42Å; S1739-L1743 PolarHBondContact O-N 3.08Å; I1740-L1743 PolarHBondContact O-N 2.99Å; K1741-L1743 VanDerWaalsContact C-N 3.34Å; L1743-A1745 VanDerWaalsContact C-N 3.31Å; L1743-A1745 PolarHBondContact O-N 3.35Å; L1743-A1746 PolarHBondContact O-N 3.47Å; L1743-I1747 HydrophobicContact CD1-CD1 4.03Å; L1743-I1747 HydrophobicContact CD1-CG1 4.37Å; L1743-I1747 HydrophobicContact CG-CD1 4.04Å; L1743-I1747 WeakPolarHBondContact O-CG1 3.35Å; L1743-I1747 PolarHBondContact O-N 2.82Å |
| 1744 | I | 82.5 | Confident | 81.8 | Confident | 44 Ų | 44 | 53.8 Ų | 53.8 | 23% | 0.226 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 176.5 | -68.3 | 166.1 | 0 | 0 | 0 | 111.2 | V1476 T1477 I1740 K1741 R1748 | V1476-I1744 HydrophobicContact CG1-CG1 3.74Å; T1477-I1744 HydrophobicContact CG2-CD1 4.41Å; I1740-I1744 HydrophobicContact CG2-CD1 3.97Å; I1740-I1744 WeakPolarHBondContact O-CG1 3.49Å; I1740-I1744 PolarHBondContact O-N 3.49Å; K1741-I1744 PolarHBondContact O-N 2.84Å; I1744-R1748 WeakPolarHBondContact O-CB 3.48Å; I1744-R1748 PolarHBondContact O-N 3.01Å; I1744-R1748 VanDerWaalsContact O-N 3.13Å |
| 1745 | A | 84.6 | Confident | 81.8 | Confident | 42 Ų | 42 | 50 Ų | 50 | 35% | 0.347 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.5 | -48.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1741 G1742 L1743 I1747 R1748 D1749 | K1741-A1745 WeakPolarHBondContact O-CB 3.32Å; K1741-A1745 PolarHBondContact O-N 2.84Å; G1742-A1745 PolarHBondContact O-N 3.08Å; L1743-A1745 VanDerWaalsContact C-N 3.31Å; L1743-A1745 PolarHBondContact O-N 3.35Å; A1745-I1747 VanDerWaalsContact C-N 3.33Å; A1745-I1747 PolarHBondContact O-N 2.82Å; A1745-R1748 PolarHBondContact O-N 2.94Å; A1745-R1748 VanDerWaalsContact O-N 3.17Å; A1745-D1749 WeakPolarHBondContact O-CB 3.49Å; A1745-D1749 VanDerWaalsContact O-CG 3.27Å; A1745-D1749 PolarHBondContact O-N 3.19Å |
| 1746 | A | 85.3 | Confident | 81.9 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 11% | 0.107 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.5 | -39.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | P1694 I1695 G1742 L1743 K1750 | P1694-A1746 HydrophobicContact CB-CB 4.15Å; I1695-A1746 HydrophobicContact CG1-CB 4.02Å; G1742-A1746 VanDerWaalsContact O-CB 3.26Å; G1742-A1746 WeakPolarHBondContact O-CB 3.47Å; G1742-A1746 PolarHBondContact O-N 2.86Å; L1743-A1746 PolarHBondContact O-N 3.47Å; A1746-K1750 WeakPolarHBondContact O-CB 3.31Å; A1746-K1750 WeakPolarHBondContact O-CG 3.19Å; A1746-K1750 PolarHBondContact O-N 2.89Å |
| 1747 | I | 82.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -51 | 174 | -66.2 | 169.4 | 0 | 0 | 0 | 109.6 | Y1469 L1473 V1476 A1539 I1695 L1743 A1745 D1749 K1750 | Y1469-I1747 HydrophobicContact CE2-CG2 3.75Å; Y1469-I1747 PolarHBondContact OH-O 2.85Å; L1473-I1747 HydrophobicContact CB-CG2 4.46Å; L1473-I1747 HydrophobicContact CD1-CG2 4.12Å; V1476-I1747 HydrophobicContact CG1-CD1 4.45Å; V1476-I1747 HydrophobicContact CG2-CD1 4.11Å; A1539-I1747 HydrophobicContact CB-CD1 3.9Å; A1539-I1747 HydrophobicContact CB-CG1 4.02Å; I1695-I1747 HydrophobicContact CD1-CG1 4.15Å; I1695-I1747 HydrophobicContact CG1-CG1 4.21Å; I1695-I1747 HydrophobicContact CG2-CG1 4.21Å; L1743-I1747 HydrophobicContact CD1-CD1 4.03Å; L1743-I1747 HydrophobicContact CD1-CG1 4.37Å; L1743-I1747 HydrophobicContact CG-CD1 4.04Å; L1743-I1747 WeakPolarHBondContact O-CG1 3.35Å; L1743-I1747 PolarHBondContact O-N 2.82Å; A1745-I1747 VanDerWaalsContact C-N 3.33Å; A1745-I1747 PolarHBondContact O-N 2.82Å; I1747-D1749 PolarHBondContact O-N 2.91Å; I1747-K1750 CarbonylContact O-C 3.54Å; I1747-K1750 PolarHBondContact O-N 3.15Å |
| 1748 | R | 82.4 | Confident | 82.4 | Confident | 180 Ų | 180 | 50.3 Ų | 50.3 | 68% | 0.679 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.1 | -41.9 | -176.4 | -175.5 | -178.1 | -179.9 | -167.7 | -1.4 | 113.8 | I1744 A1745 K1750 A1751 | I1744-R1748 WeakPolarHBondContact O-CB 3.48Å; I1744-R1748 PolarHBondContact O-N 3.01Å; I1744-R1748 VanDerWaalsContact O-N 3.13Å; A1745-R1748 PolarHBondContact O-N 2.94Å; A1745-R1748 VanDerWaalsContact O-N 3.17Å; R1748-K1750 PolarHBondContact O-N 3.42Å; R1748-A1751 PolarHBondContact O-N 2.84Å |
| 1749 | D | 82.7 | Confident | 82.6 | Confident | 124 Ų | 124 | 53.2 Ų | 53.2 | 66% | 0.663 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -74 | -12.8 | -178.1 | -66.6 | -11.4 | 0 | 0 | 0 | 112.2 | A1745 I1747 | A1745-D1749 WeakPolarHBondContact O-CB 3.49Å; A1745-D1749 VanDerWaalsContact O-CG 3.27Å; A1745-D1749 PolarHBondContact O-N 3.19Å; I1747-D1749 PolarHBondContact O-N 2.91Å |
| 1750 | K | 77.8 | Confident | 82.8 | Confident | 97 Ų | 97 | 52.9 Ų | 52.9 | 42% | 0.422 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 35.8 | 174.7 | -61.7 | -59.7 | -178.2 | -173.1 | 0 | 112.3 | V1543 A1746 I1747 R1748 | V1543-K1750 HydrophobicContact CG1-CB 3.93Å; V1543-K1750 HydrophobicContact CG2-CB 4.43Å; A1746-K1750 WeakPolarHBondContact O-CB 3.31Å; A1746-K1750 WeakPolarHBondContact O-CG 3.19Å; A1746-K1750 PolarHBondContact O-N 2.89Å; I1747-K1750 CarbonylContact O-C 3.54Å; I1747-K1750 PolarHBondContact O-N 3.15Å; R1748-K1750 PolarHBondContact O-N 3.42Å |
| 1751 | A | 75.5 | Confident | 83.2 | Confident | 32 Ų | 32 | 53.3 Ų | 53.3 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | trans | -57.8 | 123.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1469 R1748 Q1754 | Y1469-A1751 HydrophobicContact CE1-CB 4.44Å; Y1469-A1751 WeakPolarHBondContact OH-CA 3.42Å; R1748-A1751 PolarHBondContact O-N 2.84Å; A1751-Q1754 HydrophobicContact CB-CG 4.09Å | ||
| 1752 | P | 76.6 | Confident | 83.4 | Confident | 12 Ų | 12 | 54.5 Ų | 54.5 | 8% | 0.078 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 149.6 | -176.5 | 28.9 | -36.6 | 0 | 0 | 0 | 112.3 | Y1469 A1546 Q1754 A1820 | Y1469-P1752 HydrophobicContact CD1-CG 4.31Å; Y1469-P1752 HydrophobicContact CD2-CG 4.18Å; Y1469-P1752 HydrophobicContact CG-CG 4.07Å; A1546-P1752 HydrophobicContact CB-CB 3.36Å; P1752-Q1754 PolarHBondContact O-N 2.83Å; P1752-A1820 WeakPolarHBondContact CB-O 3.4Å; P1752-A1820 HydrophobicContact CG-CB 3.73Å |
| 1753 | G | 77.6 | Confident | 83.6 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | -18.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | T1755 D1756 C1757 S1824 | G1753-T1755 PolarHBondContact O-N 2.9Å; G1753-D1756 PolarHBondContact O-N 2.91Å; G1753-C1757 PolarHBondContact O-N 2.85Å; G1753-C1757 PolarHBondContact O-SG 3.46Å; G1753-C1757 VanDerWaalsContact O-SG 3.39Å; G1753-S1824 WeakPolarHBondContact CA-OG 3.25Å; G1753-S1824 PolarHBondContact N-OG 3.47Å; G1753-S1824 VanDerWaalsContact N-OG 3.1Å |
| 1754 | Q | 83.6 | Confident | 83.7 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 23% | 0.229 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -42.9 | -173.3 | -73.1 | -71.2 | -41.9 | 0 | 0 | 113.3 | A1751 P1752 D1758 K1876 | A1751-Q1754 HydrophobicContact CB-CG 4.09Å; P1752-Q1754 PolarHBondContact O-N 2.83Å; Q1754-D1758 PolarHBondContact O-N 3.37Å; Q1754-K1876 PolarHBondContact NE2-O 3.34Å |
| 1755 | T | 83.4 | Confident | 83.8 | Confident | 97 Ų | 97 | 56.2 Ų | 56.2 | 60% | 0.595 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.7 | -37.5 | 177.4 | 41.1 | 0 | 0 | 0 | 0 | 112.7 | G1753 D1758 M1759 | G1753-T1755 PolarHBondContact O-N 2.9Å; T1755-D1758 PolarHBondContact O-N 3.26Å; T1755-M1759 PolarHBondContact O-N 3.35Å; T1755-M1759 VanDerWaalsContact O-N 3.08Å |
| 1756 | D | 84.7 | Confident | 84 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.2 | -37 | -179 | -52.2 | -83.3 | 0 | 0 | 0 | 111.1 | G1753 D1758 M1759 A1760 | G1753-D1756 PolarHBondContact O-N 2.91Å; D1756-D1758 VanDerWaalsContact C-N 3.34Å; D1756-D1758 PolarHBondContact O-N 3.03Å; D1756-M1759 PolarHBondContact O-N 3.13Å; D1756-A1760 VanDerWaalsContact O-CB 3.22Å; D1756-A1760 WeakPolarHBondContact O-CB 3.34Å; D1756-A1760 PolarHBondContact O-N 3.15Å |
| 1757 | C | 85.7 | Confident | 84.1 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58 | -42.7 | 168.4 | -77.4 | 0 | 0 | 0 | 0 | 112.3 | G1753 A1760 I1761 | G1753-C1757 PolarHBondContact O-N 2.85Å; G1753-C1757 PolarHBondContact O-SG 3.46Å; G1753-C1757 VanDerWaalsContact O-SG 3.39Å; C1757-A1760 WeakPolarHBondContact O-CB 3.27Å; C1757-A1760 PolarHBondContact O-N 2.91Å; C1757-I1761 WeakPolarHBondContact O-CB 3.31Å; C1757-I1761 WeakPolarHBondContact O-CD1 3.36Å; C1757-I1761 VanDerWaalsContact O-CG1 3.22Å; C1757-I1761 WeakPolarHBondContact O-CG1 3.42Å; C1757-I1761 PolarHBondContact O-N 2.98Å |
| 1758 | D | 87.2 | Confident | 84.2 | Confident | 69 Ų | 69 | 59.8 Ų | 59.8 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.4 | -44 | 178.9 | -82.6 | -29.9 | 0 | 0 | 0 | 112.4 | Q1754 T1755 D1756 A1760 I1761 E1762 K1876 | Q1754-D1758 PolarHBondContact O-N 3.37Å; T1755-D1758 PolarHBondContact O-N 3.26Å; D1756-D1758 VanDerWaalsContact C-N 3.34Å; D1756-D1758 PolarHBondContact O-N 3.03Å; D1758-A1760 VanDerWaalsContact C-N 3.31Å; D1758-A1760 PolarHBondContact O-N 3.18Å; D1758-I1761 PolarHBondContact O-N 3.47Å; D1758-E1762 PolarHBondContact O-N 2.78Å; D1758-E1762 VanDerWaalsContact O-N 3.11Å; D1758-K1876 IonicContact OD1-NZ 2.62Å; D1758-K1876 PolarHBondContact OD1-NZ 2.86Å; D1758-K1876 IonicContact OD2-NZ 2.96Å; D1758-K1876 PolarHBondContact OD2-NZ 3.2Å |
| 1759 | M | 86.4 | Confident | 84.1 | Confident | 136 Ų | 136 | 57.2 Ų | 57.2 | 67% | 0.67 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.7 | -36.7 | 173.3 | -69.5 | -178 | 62 | 0 | 0 | 112.6 | T1755 D1756 K1763 | T1755-M1759 PolarHBondContact O-N 3.35Å; T1755-M1759 VanDerWaalsContact O-N 3.08Å; D1756-M1759 PolarHBondContact O-N 3.13Å; M1759-K1763 PolarHBondContact O-N 3.04Å; M1759-K1763 VanDerWaalsContact O-N 3.09Å |
| 1760 | A | 87.9 | Confident | 84.3 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1756 C1757 D1758 E1762 K1763 M1764 V1827 M1831 L1872 | D1756-A1760 VanDerWaalsContact O-CB 3.22Å; D1756-A1760 WeakPolarHBondContact O-CB 3.34Å; D1756-A1760 PolarHBondContact O-N 3.15Å; C1757-A1760 WeakPolarHBondContact O-CB 3.27Å; C1757-A1760 PolarHBondContact O-N 2.91Å; D1758-A1760 VanDerWaalsContact C-N 3.31Å; D1758-A1760 PolarHBondContact O-N 3.18Å; A1760-E1762 PolarHBondContact O-N 2.76Å; A1760-K1763 PolarHBondContact O-N 2.89Å; A1760-M1764 WeakPolarHBondContact O-CB 3.48Å; A1760-M1764 VanDerWaalsContact O-CG 3.3Å; A1760-M1764 WeakPolarHBondContact O-CG 3.3Å; A1760-M1764 PolarHBondContact O-N 3.45Å; A1760-V1827 HydrophobicContact CB-CG1 3.73Å; A1760-M1831 HydrophobicContact CB-CG 3.77Å; A1760-M1831 HydrophobicContact CB-SD 3.55Å; A1760-M1831 VanDerWaalsContact CB-SD 3.55Å; A1760-L1872 HydrophobicContact CB-CD1 3.8Å; A1760-L1872 HydrophobicContact CB-CD2 4.08Å |
| 1761 | I | 88.6 | Confident | 84.6 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 176.8 | -73.9 | 160.3 | 0 | 0 | 0 | 111.1 | C1757 D1758 M1764 A1765 L1869 L1872 Y1873 K1876 | C1757-I1761 WeakPolarHBondContact O-CB 3.31Å; C1757-I1761 WeakPolarHBondContact O-CD1 3.36Å; C1757-I1761 VanDerWaalsContact O-CG1 3.22Å; C1757-I1761 WeakPolarHBondContact O-CG1 3.42Å; C1757-I1761 PolarHBondContact O-N 2.98Å; D1758-I1761 PolarHBondContact O-N 3.47Å; I1761-M1764 PolarHBondContact O-N 2.75Å; I1761-A1765 PolarHBondContact O-N 3.06Å; I1761-L1869 HydrophobicContact CB-CD1 4.28Å; I1761-L1869 HydrophobicContact CG1-CD1 4Å; I1761-L1869 HydrophobicContact CG2-CD1 4.07Å; I1761-L1872 HydrophobicContact CG1-CB 4.15Å; I1761-L1872 HydrophobicContact CG1-CD1 4.4Å; I1761-Y1873 HydrophobicContact CD1-CD1 3.89Å; I1761-Y1873 HydrophobicContact CD1-CE1 3.75Å; I1761-Y1873 HydrophobicContact CG1-CE1 4.18Å; I1761-Y1873 HydrophobicContact CG2-CE1 4.18Å; I1761-K1876 HydrophobicContact CD1-CD 4.39Å |
| 1762 | E | 88.1 | Confident | 84.7 | Confident | 149 Ų | 149 | 49.4 Ų | 49.4 | 70% | 0.696 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 176.2 | -70.6 | -172.2 | 172.5 | 0 | 0 | 112.3 | D1758 A1760 M1764 A1765 L1766 | D1758-E1762 PolarHBondContact O-N 2.78Å; D1758-E1762 VanDerWaalsContact O-N 3.11Å; A1760-E1762 PolarHBondContact O-N 2.76Å; E1762-M1764 VanDerWaalsContact C-N 3.34Å; E1762-M1764 PolarHBondContact O-N 2.8Å; E1762-A1765 PolarHBondContact O-N 3.48Å; E1762-L1766 PolarHBondContact O-N 3.45Å |
| 1763 | K | 87.6 | Confident | 84.9 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 32% | 0.317 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 177.9 | -167.6 | 176.6 | -176.8 | -175.7 | 0 | 111.9 | M1759 A1760 L1766 L1767 E1835 | M1759-K1763 PolarHBondContact O-N 3.04Å; M1759-K1763 VanDerWaalsContact O-N 3.09Å; A1760-K1763 PolarHBondContact O-N 2.89Å; K1763-L1766 WeakPolarHBondContact O-CB 3.45Å; K1763-L1766 PolarHBondContact O-N 3Å; K1763-L1767 PolarHBondContact O-N 2.92Å; K1763-L1767 VanDerWaalsContact O-N 3.15Å; K1763-E1835 WeakPolarHBondContact CE-OE2 3.44Å; K1763-E1835 IonicContact NZ-OE2 2.66Å; K1763-E1835 PolarHBondContact NZ-OE2 3.1Å |
| 1764 | M | 87.8 | Confident | 85.1 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 175.9 | -73.9 | -61.3 | -177.4 | 0 | 0 | 112.6 | A1760 I1761 E1762 L1766 L1767 I1768 M1831 F1834 I1865 Q1868 L1869 L1872 | A1760-M1764 WeakPolarHBondContact O-CB 3.48Å; A1760-M1764 VanDerWaalsContact O-CG 3.3Å; A1760-M1764 WeakPolarHBondContact O-CG 3.3Å; A1760-M1764 PolarHBondContact O-N 3.45Å; I1761-M1764 PolarHBondContact O-N 2.75Å; E1762-M1764 VanDerWaalsContact C-N 3.34Å; E1762-M1764 PolarHBondContact O-N 2.8Å; M1764-L1766 PolarHBondContact O-N 2.8Å; M1764-L1767 PolarHBondContact O-N 3.36Å; M1764-L1767 HydrophobicContact SD-CD1 4.36Å; M1764-I1768 WeakPolarHBondContact O-CG1 3.43Å; M1764-I1768 PolarHBondContact O-N 3.38Å; M1764-M1831 HydrophobicContact CE-CE 3.36Å; M1764-M1831 HydrophobicContact CE-SD 3.44Å; M1764-M1831 WeakPolarHBondContact CE-SD 3.19Å; M1764-M1831 HydrophobicContact CG-SD 4.36Å; M1764-F1834 HydrophobicContact CE-CB 3.9Å; M1764-F1834 HydrophobicContact CE-CD1 3.65Å; M1764-F1834 HydrophobicContact CE-CD2 3.32Å; M1764-F1834 HydrophobicContact CE-CE1 3.92Å; M1764-F1834 HydrophobicContact CE-CE2 3.64Å; M1764-F1834 HydrophobicContact CE-CG 3.32Å; M1764-F1834 HydrophobicContact CE-CZ 3.94Å; M1764-F1834 HydrophobicContact SD-CB 4.43Å; M1764-F1834 HydrophobicContact SD-CD1 4.11Å; M1764-F1834 HydrophobicContact SD-CG 4.16Å; M1764-I1865 HydrophobicContact CB-CG2 4.37Å; M1764-I1865 HydrophobicContact SD-CG1 4.41Å; M1764-I1865 HydrophobicContact SD-CG2 3.72Å; M1764-Q1868 HydrophobicContact CE-CB 4.24Å; M1764-Q1868 HydrophobicContact CE-CG 3.5Å; M1764-Q1868 VanDerWaalsContact CE-CG 3.5Å; M1764-L1869 HydrophobicContact CB-CD1 4.26Å; M1764-L1872 HydrophobicContact CG-CD1 4.15Å |
| 1765 | A | 84.3 | Confident | 84.8 | Confident | 38 Ų | 38 | 53.8 Ų | 53.8 | 31% | 0.314 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -33.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1761 E1762 R1769 | I1761-A1765 PolarHBondContact O-N 3.06Å; E1762-A1765 PolarHBondContact O-N 3.48Å; A1765-R1769 WeakPolarHBondContact O-CG 3.42Å; A1765-R1769 PolarHBondContact O-N 2.93Å |
| 1766 | L | 87.9 | Confident | 84.4 | Confident | 102 Ų | 102 | 51.7 Ų | 51.7 | 53% | 0.534 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 173.5 | -176.2 | 66.3 | 0 | 0 | 0 | 112.3 | E1762 K1763 M1764 R1769 M1770 | E1762-L1766 PolarHBondContact O-N 3.45Å; K1763-L1766 WeakPolarHBondContact O-CB 3.45Å; K1763-L1766 PolarHBondContact O-N 3Å; M1764-L1766 PolarHBondContact O-N 2.8Å; L1766-R1769 PolarHBondContact O-N 2.9Å; L1766-M1770 PolarHBondContact O-N 3.46Å; L1766-M1770 VanDerWaalsContact O-N 3.12Å |
| 1767 | L | 88.9 | Confident | 84.1 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 179.4 | -66 | 175.9 | 0 | 0 | 0 | 112.4 | K1763 M1764 R1769 M1770 L1771 F1834 E1835 T1838 I1865 | K1763-L1767 PolarHBondContact O-N 2.92Å; K1763-L1767 VanDerWaalsContact O-N 3.15Å; M1764-L1767 PolarHBondContact O-N 3.36Å; M1764-L1767 HydrophobicContact SD-CD1 4.36Å; L1767-R1769 VanDerWaalsContact C-N 3.31Å; L1767-R1769 PolarHBondContact O-N 3.38Å; L1767-M1770 HydrophobicContact CD2-SD 4.23Å; L1767-M1770 WeakPolarHBondContact O-CB 3.34Å; L1767-M1770 PolarHBondContact O-N 3.22Å; L1767-M1770 VanDerWaalsContact O-N 3.15Å; L1767-L1771 PolarHBondContact O-N 2.93Å; L1767-F1834 HydrophobicContact CD1-CB 3.82Å; L1767-E1835 HydrophobicContact CD2-CB 4.32Å; L1767-T1838 HydrophobicContact CD2-CG2 4.27Å; L1767-I1865 HydrophobicContact CB-CD1 4.17Å |
| 1768 | I | 83.6 | Confident | 83.8 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 11% | 0.108 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 172.4 | -65.5 | 172.3 | 0 | 0 | 0 | 110.5 | M1764 M1770 L1771 D1772 I1865 E1866 L1869 | M1764-I1768 WeakPolarHBondContact O-CG1 3.43Å; M1764-I1768 PolarHBondContact O-N 3.38Å; I1768-M1770 VanDerWaalsContact C-N 3.28Å; I1768-M1770 PolarHBondContact O-N 3.03Å; I1768-L1771 PolarHBondContact O-N 3.14Å; I1768-D1772 WeakPolarHBondContact O-CB 3.4Å; I1768-D1772 PolarHBondContact O-N 3.47Å; I1768-I1865 HydrophobicContact CD1-CG2 3.93Å; I1768-I1865 HydrophobicContact CG1-CB 4.42Å; I1768-I1865 HydrophobicContact CG1-CG2 3.46Å; I1768-I1865 VanDerWaalsContact CG1-CG2 3.46Å; I1768-E1866 HydrophobicContact CD1-CG 4.31Å; I1768-L1869 HydrophobicContact CD1-CD2 4.17Å |
| 1769 | R | 81.2 | Confident | 83.1 | Confident | 126 Ų | 126 | 50.2 Ų | 50.2 | 48% | 0.475 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -31.2 | 178.4 | -71.2 | 173 | 178.7 | 166.7 | 0.3 | 112.8 | D434 A1765 L1766 L1767 Q1773 | D434-R1769 IonicContact OD1-CZ 2.84Å; D434-R1769 IonicContact OD1-NH2 3.59Å; D434-R1769 PolarHBondContact OD1-NH2 3.01Å; A1765-R1769 WeakPolarHBondContact O-CG 3.42Å; A1765-R1769 PolarHBondContact O-N 2.93Å; L1766-R1769 PolarHBondContact O-N 2.9Å; L1767-R1769 VanDerWaalsContact C-N 3.31Å; L1767-R1769 PolarHBondContact O-N 3.38Å; R1769-Q1773 WeakPolarHBondContact O-CG 3.43Å; R1769-Q1773 PolarHBondContact O-N 3.36Å |
| 1770 | M | 85.8 | Confident | 82.6 | Confident | 76 Ų | 76 | 48.4 Ų | 48.4 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.2 | -44 | 173.2 | -70.8 | 177.3 | 59.8 | 0 | 0 | 112.1 | L1766 L1767 I1768 D1772 Q1773 A1774 | L1766-M1770 PolarHBondContact O-N 3.46Å; L1766-M1770 VanDerWaalsContact O-N 3.12Å; L1767-M1770 HydrophobicContact CD2-SD 4.23Å; L1767-M1770 WeakPolarHBondContact O-CB 3.34Å; L1767-M1770 PolarHBondContact O-N 3.22Å; L1767-M1770 VanDerWaalsContact O-N 3.15Å; I1768-M1770 VanDerWaalsContact C-N 3.28Å; I1768-M1770 PolarHBondContact O-N 3.03Å; M1770-D1772 VanDerWaalsContact C-N 3.35Å; M1770-Q1773 PolarHBondContact O-N 2.79Å; M1770-A1774 PolarHBondContact O-N 3.24Å |
| 1771 | L | 83.3 | Confident | 82.1 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 175.3 | -73.4 | 173.3 | 0 | 0 | 0 | 112.3 | L1767 I1768 Q1773 A1774 S1775 T1838 I1842 L1858 C1861 K1862 I1865 | L1767-L1771 PolarHBondContact O-N 2.93Å; I1768-L1771 PolarHBondContact O-N 3.14Å; L1771-Q1773 VanDerWaalsContact C-N 3.3Å; L1771-Q1773 PolarHBondContact O-N 2.87Å; L1771-A1774 PolarHBondContact O-N 2.85Å; L1771-S1775 WeakPolarHBondContact O-CB 3.42Å; L1771-S1775 PolarHBondContact O-N 3.41Å; L1771-S1775 PolarHBondContact O-OG 3.08Å; L1771-T1838 HydrophobicContact CD1-CG2 4.44Å; L1771-T1838 HydrophobicContact CD2-CG2 3.96Å; L1771-T1838 HydrophobicContact CG-CG2 3.88Å; L1771-I1842 HydrophobicContact CD2-CD1 4.25Å; L1771-I1842 HydrophobicContact CD2-CG1 4.02Å; L1771-L1858 HydrophobicContact CD2-CD2 3.91Å; L1771-C1861 HydrophobicContact CD1-CB 4.15Å; L1771-C1861 HydrophobicContact CD2-CB 4.45Å; L1771-K1862 HydrophobicContact CD1-CB 4.03Å; L1771-I1865 HydrophobicContact CD1-CD1 3.58Å |
| 1772 | D | 77.4 | Confident | 81.6 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.059 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.6 | -30.3 | 176.3 | -84.5 | -18.8 | 0 | 0 | 0 | 112.8 | Y436 I1768 M1770 S1775 L1776 K1862 | Y436-D1772 HydrophobicContact CD2-CB 4.11Å; Y436-D1772 HydrophobicContact CE2-CB 3.61Å; I1768-D1772 WeakPolarHBondContact O-CB 3.4Å; I1768-D1772 PolarHBondContact O-N 3.47Å; M1770-D1772 VanDerWaalsContact C-N 3.35Å; D1772-S1775 PolarHBondContact O-OG 2.86Å; D1772-L1776 WeakPolarHBondContact O-CB 3.44Å; D1772-L1776 PolarHBondContact O-N 3.39Å; D1772-K1862 IonicContact OD1-NZ 2.81Å; D1772-K1862 PolarHBondContact OD1-NZ 3.44Å; D1772-K1862 IonicContact OD2-NZ 2.62Å; D1772-K1862 PolarHBondContact OD2-NZ 2.83Å |
| 1773 | Q | 80.9 | Confident | 81.2 | Confident | 135 Ų | 135 | 54 Ų | 54 | 63% | 0.631 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -72.4 | -41 | 169.2 | -71.4 | 174.3 | 22.2 | 0 | 0 | 112.1 | R1769 M1770 L1771 L1776 A1777 | R1769-Q1773 WeakPolarHBondContact O-CG 3.43Å; R1769-Q1773 PolarHBondContact O-N 3.36Å; M1770-Q1773 PolarHBondContact O-N 2.79Å; L1771-Q1773 VanDerWaalsContact C-N 3.3Å; L1771-Q1773 PolarHBondContact O-N 2.87Å; Q1773-L1776 PolarHBondContact O-N 3.29Å; Q1773-A1777 WeakPolarHBondContact O-CB 3.4Å; Q1773-A1777 PolarHBondContact O-N 2.94Å |
| 1774 | A | 82.7 | Confident | 80.6 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1770 L1771 A1777 A1778 I1842 L1858 | M1770-A1774 PolarHBondContact O-N 3.24Å; L1771-A1774 PolarHBondContact O-N 2.85Å; A1774-A1777 PolarHBondContact O-N 3.13Å; A1774-A1778 WeakPolarHBondContact O-CB 3.42Å; A1774-A1778 PolarHBondContact O-N 3.24Å; A1774-I1842 HydrophobicContact CB-CD1 4.01Å; A1774-I1842 HydrophobicContact CB-CG1 3.87Å; A1774-I1842 HydrophobicContact CB-CG2 4.33Å; A1774-L1858 HydrophobicContact CB-CD1 4.47Å; A1774-L1858 HydrophobicContact CB-CD2 4.13Å |
| 1775 | S | 78.2 | Confident | 79.7 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 176.7 | 67.7 | 0 | 0 | 0 | 0 | 111.5 | L1771 D1772 A1777 A1778 I1779 | L1771-S1775 WeakPolarHBondContact O-CB 3.42Å; L1771-S1775 PolarHBondContact O-N 3.41Å; L1771-S1775 PolarHBondContact O-OG 3.08Å; D1772-S1775 PolarHBondContact O-OG 2.86Å; S1775-A1777 VanDerWaalsContact C-N 3.34Å; S1775-A1777 PolarHBondContact O-N 2.85Å; S1775-A1778 PolarHBondContact O-N 3.42Å; S1775-I1779 WeakPolarHBondContact O-CB 3.36Å; S1775-I1779 VanDerWaalsContact O-CG1 3.25Å; S1775-I1779 WeakPolarHBondContact O-CG1 3.39Å; S1775-I1779 PolarHBondContact O-N 3.14Å |
| 1776 | L | 73.1 | Confident | 79 | Confident | 52 Ų | 52 | 62.2 Ų | 62.2 | 27% | 0.272 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.4 | -34.5 | 173.2 | -168.1 | 138.7 | 0 | 0 | 0 | 112.1 | Y436 D1772 Q1773 N1780 | Y436-L1776 HydrophobicContact CE2-CD1 4.41Å; D1772-L1776 WeakPolarHBondContact O-CB 3.44Å; D1772-L1776 PolarHBondContact O-N 3.39Å; Q1773-L1776 PolarHBondContact O-N 3.29Å; L1776-N1780 WeakPolarHBondContact CD2-ND2 3.45Å; L1776-N1780 WeakPolarHBondContact O-CB 3.36Å; L1776-N1780 PolarHBondContact O-N 3.04Å; L1776-N1780 PolarHBondContact O-ND2 3.47Å |
| 1777 | A | 80.4 | Confident | 77.8 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69 | -39.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1773 A1774 S1775 N1780 Q1781 S1782 L1783 | Q1773-A1777 WeakPolarHBondContact O-CB 3.4Å; Q1773-A1777 PolarHBondContact O-N 2.94Å; A1774-A1777 PolarHBondContact O-N 3.13Å; S1775-A1777 VanDerWaalsContact C-N 3.34Å; S1775-A1777 PolarHBondContact O-N 2.85Å; A1777-N1780 CarbonylContact O-C 3.55Å; A1777-N1780 PolarHBondContact O-N 3.11Å; A1777-Q1781 PolarHBondContact O-N 2.98Å; A1777-Q1781 VanDerWaalsContact O-N 3.14Å; A1777-S1782 PolarHBondContact O-N 2.92Å; A1777-S1782 PolarHBondContact O-OG 3.13Å; A1777-L1783 HydrophobicContact CB-CB 4.2Å; A1777-L1783 HydrophobicContact CB-CD1 4.34Å; A1777-L1783 PolarHBondContact O-N 2.98Å |
| 1778 | A | 78.5 | Confident | 76.6 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.017 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1774 S1775 N1780 Q1781 L1783 Q1854 M1855 L1858 | A1774-A1778 WeakPolarHBondContact O-CB 3.42Å; A1774-A1778 PolarHBondContact O-N 3.24Å; S1775-A1778 PolarHBondContact O-N 3.42Å; A1778-N1780 PolarHBondContact O-N 3.45Å; A1778-Q1781 PolarHBondContact O-N 2.9Å; A1778-L1783 HydrophobicContact CB-CD2 4.49Å; A1778-Q1854 HydrophobicContact CB-CG 4.02Å; A1778-M1855 HydrophobicContact CB-SD 4.26Å; A1778-L1858 HydrophobicContact CB-CD1 4.01Å |
| 1779 | I | 73 | Confident | 75.8 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 30% | 0.303 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59 | -36.5 | 175.6 | -68.7 | 165.1 | 0 | 0 | 0 | 111.3 | S1775 Q1781 M1855 | S1775-I1779 WeakPolarHBondContact O-CB 3.36Å; S1775-I1779 VanDerWaalsContact O-CG1 3.25Å; S1775-I1779 WeakPolarHBondContact O-CG1 3.39Å; S1775-I1779 PolarHBondContact O-N 3.14Å; I1779-Q1781 VanDerWaalsContact C-N 3.3Å; I1779-Q1781 PolarHBondContact O-N 3.41Å; I1779-M1855 HydrophobicContact CD1-CE 4.18Å; I1779-M1855 HydrophobicContact CD1-SD 4.35Å; I1779-M1855 HydrophobicContact CG1-CE 4.29Å; I1779-M1855 HydrophobicContact CG1-SD 3.81Å |
| 1780 | N | 76.1 | Confident | 75.1 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 52% | 0.524 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3.2 | 176.2 | -71.1 | -53.9 | 0 | 0 | 0 | 114.2 | L1776 A1777 A1778 S1782 | L1776-N1780 WeakPolarHBondContact CD2-ND2 3.45Å; L1776-N1780 WeakPolarHBondContact O-CB 3.36Å; L1776-N1780 PolarHBondContact O-N 3.04Å; L1776-N1780 PolarHBondContact O-ND2 3.47Å; A1777-N1780 CarbonylContact O-C 3.55Å; A1777-N1780 PolarHBondContact O-N 3.11Å; A1778-N1780 PolarHBondContact O-N 3.45Å; N1780-S1782 PolarHBondContact O-N 2.81Å |
| 1781 | Q | 77.3 | Confident | 74.5 | Confident | 178 Ų | 178 | 64.6 Ų | 64.6 | 83% | 0.832 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 32 | -173.6 | -58.3 | -176.9 | -4.6 | 0 | 0 | 113.8 | A1777 A1778 I1779 | A1777-Q1781 PolarHBondContact O-N 2.98Å; A1777-Q1781 VanDerWaalsContact O-N 3.14Å; A1778-Q1781 PolarHBondContact O-N 2.9Å; I1779-Q1781 VanDerWaalsContact C-N 3.3Å; I1779-Q1781 PolarHBondContact O-N 3.41Å |
| 1782 | S | 77.9 | Confident | 74 | Confident | 76 Ų | 76 | 69 Ų | 69 | 53% | 0.531 | 37% | 0.369 | S | S | . | . | trans | -113.6 | 14.4 | -176.4 | 76.6 | 0 | 0 | 0 | 0 | 113.8 | A1777 N1780 | A1777-S1782 PolarHBondContact O-N 2.92Å; A1777-S1782 PolarHBondContact O-OG 3.13Å; N1780-S1782 PolarHBondContact O-N 2.81Å | ||
| 1783 | L | 79.5 | Confident | 73.6 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 20% | 0.199 | 37% | 0.374 | C | S | . | . | trans | -81.8 | 113.4 | 174.9 | -175.4 | 65.6 | 0 | 0 | 0 | 109.1 | A1777 A1778 I1842 A1845 | A1777-L1783 HydrophobicContact CB-CB 4.2Å; A1777-L1783 HydrophobicContact CB-CD1 4.34Å; A1777-L1783 PolarHBondContact O-N 2.98Å; A1778-L1783 HydrophobicContact CB-CD2 4.49Å; L1783-I1842 HydrophobicContact CD1-CG2 4.4Å; L1783-A1845 HydrophobicContact CD2-CB 4.37Å | ||
| 1784 | E | 74.7 | Confident | 73.6 | Confident | 172 Ų | 172 | 63.3 Ų | 63.3 | 80% | 0.804 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -70 | 135.2 | 179.9 | -65.1 | -171.2 | 161.3 | 0 | 0 | 111.4 | S1786 S1846 | E1784-S1786 PolarHBondContact O-N 2.63Å; E1784-S1846 WeakPolarHBondContact O-CB 3.31Å |
| 1785 | P | 70 | Confident | 73.6 | Confident | 86 Ų | 86 | 63 Ų | 63 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 124.2 | -179.1 | 26.3 | -33.7 | 0 | 0 | 0 | 111.6 | T1787 L1847 | P1785-T1787 PolarHBondContact O-N 2.98Å; P1785-L1847 HydrophobicContact CB-CD2 4.07Å |
| 1786 | S | 69.5 | Low | 73.3 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 129.4 | 179.8 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | E1784 E1788 S1846 | E1784-S1786 PolarHBondContact O-N 2.63Å; S1786-E1788 PolarHBondContact OG-N 2.93Å; S1786-S1846 WeakPolarHBondContact CB-OG 3.23Å; S1786-S1846 PolarHBondContact N-OG 2.69Å |
| 1787 | T | 62.8 | Low | 73.6 | Confident | 108 Ų | 108 | 65 Ų | 65 | 66% | 0.663 | 35% | 0.35 | S | S | * | . | trans | -103.7 | 16.4 | 176.2 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | P1785 | P1785-T1787 PolarHBondContact O-N 2.98Š| ||
| 1788 | E | 63 | Low | 73.8 | Confident | 106 Ų | 106 | 64.2 Ų | 64.2 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -85.1 | -29.9 | -173.9 | -57.4 | -159 | 140.9 | 0 | 0 | 113.6 | R576 S1786 | R576-E1788 IonicContact CZ-OE1 3.69Å; R576-E1788 IonicContact NE-OE1 3.92Å; R576-E1788 IonicContact NH1-OE1 2.68Å; R576-E1788 PolarHBondContact NH1-OE1 3.3Å; S1786-E1788 PolarHBondContact OG-N 2.93Å |
| 1789 | N | 65.7 | Low | 73.8 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 17% | 0.171 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -144.2 | 165.6 | 177.9 | -158.7 | -2.7 | 0 | 0 | 0 | 109.6 | G1793 F1794 | N1789-G1793 PolarHBondContact ND2-O 3.49Å; N1789-F1794 HydrophobicContact CB-CD1 4.17Å; N1789-F1794 HydrophobicContact CB-CD2 4.14Å; N1789-F1794 HydrophobicContact CB-CE1 3.8Å; N1789-F1794 HydrophobicContact CB-CE2 3.78Å; N1789-F1794 HydrophobicContact CB-CG 4.34Å; N1789-F1794 HydrophobicContact CB-CZ 3.6Å; N1789-F1794 WeakPolarHBondContact O-CE2 3.39Å |
| 1790 | S | 67.8 | Low | 73.9 | Confident | 54 Ų | 54 | 64 Ų | 64 | 38% | 0.378 | 34% | 0.342 | S | S | . | . | trans | -75.3 | 160.4 | 171.3 | 71.2 | 0 | 0 | 0 | 0 | 110.9 | Q1792 G1793 F1794 | S1790-Q1792 VanDerWaalsContact C-N 3.29Å; S1790-Q1792 PolarHBondContact O-N 2.85Å; S1790-G1793 WeakPolarHBondContact O-CA 3.27Å; S1790-G1793 PolarHBondContact O-N 3.09Å; S1790-G1793 PolarHBondContact OG-N 2.95Å; S1790-F1794 VanDerWaalsContact O-CD2 3.3Å; S1790-F1794 WeakPolarHBondContact O-CD2 3.5Å; S1790-F1794 PolarHBondContact O-N 2.97Å | ||
| 1791 | E | 72.6 | Confident | 74.3 | Confident | 81 Ų | 81 | 60 Ų | 60 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.2 | -44.8 | 175.8 | -172 | -170.8 | 161.6 | 0 | 0 | 111.3 | G1793 F1794 Y1795 L1847 | E1791-G1793 VanDerWaalsContact C-N 3.34Å; E1791-G1793 PolarHBondContact O-N 3.35Å; E1791-F1794 PolarHBondContact O-N 3.49Å; E1791-Y1795 HydrophobicContact CG-CD2 4.32Å; E1791-Y1795 HydrophobicContact CG-CE2 3.55Å; E1791-Y1795 WeakPolarHBondContact O-CD2 3.21Å; E1791-Y1795 PolarHBondContact O-N 3.34Å; E1791-Y1795 WeakPolarHBondContact OE1-CE2 3.46Å; E1791-Y1795 PolarHBondContact OE1-OH 3.48Å; E1791-L1847 HydrophobicContact CB-CB 4.49Å; E1791-L1847 HydrophobicContact CB-CD1 4.04Å; E1791-L1847 HydrophobicContact CG-CB 4.38Å |
| 1792 | Q | 72.4 | Confident | 74.6 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 44% | 0.444 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 173.6 | -68.6 | 176.9 | -21.9 | 0 | 0 | 112.3 | S1790 F1794 Y1795 E1796 A1916 | S1790-Q1792 VanDerWaalsContact C-N 3.29Å; S1790-Q1792 PolarHBondContact O-N 2.85Å; Q1792-F1794 VanDerWaalsContact C-N 3.34Å; Q1792-F1794 PolarHBondContact O-N 2.85Å; Q1792-Y1795 PolarHBondContact O-N 3.25Å; Q1792-E1796 PolarHBondContact O-N 3.44Å; Q1792-A1916 HydrophobicContact CG-CB 4.48Å |
| 1793 | G | 70.4 | Confident | 74.6 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -33 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1789 S1790 E1791 Q1797 | N1789-G1793 PolarHBondContact ND2-O 3.49Å; S1790-G1793 WeakPolarHBondContact O-CA 3.27Å; S1790-G1793 PolarHBondContact O-N 3.09Å; S1790-G1793 PolarHBondContact OG-N 2.95Å; E1791-G1793 VanDerWaalsContact C-N 3.34Å; E1791-G1793 PolarHBondContact O-N 3.35Å; G1793-Q1797 WeakPolarHBondContact O-CG 3.45Å; G1793-Q1797 PolarHBondContact O-N 3.12Å |
| 1794 | F | 81.1 | Confident | 74.6 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.6 | -41.7 | 169.7 | -70.8 | -61.1 | 0 | 0 | 0 | 111.7 | N1789 S1790 E1791 Q1792 Q1797 I1798 A1840 A1844 L1847 | N1789-F1794 HydrophobicContact CB-CD1 4.17Å; N1789-F1794 HydrophobicContact CB-CD2 4.14Å; N1789-F1794 HydrophobicContact CB-CE1 3.8Å; N1789-F1794 HydrophobicContact CB-CE2 3.78Å; N1789-F1794 HydrophobicContact CB-CG 4.34Å; N1789-F1794 HydrophobicContact CB-CZ 3.6Å; N1789-F1794 WeakPolarHBondContact O-CE2 3.39Å; S1790-F1794 VanDerWaalsContact O-CD2 3.3Å; S1790-F1794 WeakPolarHBondContact O-CD2 3.5Å; S1790-F1794 PolarHBondContact O-N 2.97Å; E1791-F1794 PolarHBondContact O-N 3.49Å; Q1792-F1794 VanDerWaalsContact C-N 3.34Å; Q1792-F1794 PolarHBondContact O-N 2.85Å; F1794-Q1797 PolarHBondContact O-N 3.18Å; F1794-Q1797 VanDerWaalsContact O-N 3.16Å; F1794-I1798 WeakPolarHBondContact O-CG1 3.42Å; F1794-I1798 PolarHBondContact O-N 2.95Å; F1794-A1840 HydrophobicContact CD1-CB 4.36Å; F1794-A1844 HydrophobicContact CB-CB 4.2Å; F1794-L1847 HydrophobicContact CD2-CD1 3.87Å; F1794-L1847 HydrophobicContact CE2-CD1 3.87Å |
| 1795 | Y | 81.8 | Confident | 75.2 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 176.1 | -62.9 | -33.2 | 0 | 0 | 0 | 112.4 | E1791 Q1792 Q1797 I1798 D1799 A1844 F1857 A1912 I1913 | E1791-Y1795 HydrophobicContact CG-CD2 4.32Å; E1791-Y1795 HydrophobicContact CG-CE2 3.55Å; E1791-Y1795 WeakPolarHBondContact O-CD2 3.21Å; E1791-Y1795 PolarHBondContact O-N 3.34Å; E1791-Y1795 WeakPolarHBondContact OE1-CE2 3.46Å; E1791-Y1795 PolarHBondContact OE1-OH 3.48Å; Q1792-Y1795 PolarHBondContact O-N 3.25Å; Y1795-Q1797 VanDerWaalsContact C-N 3.28Å; Y1795-Q1797 PolarHBondContact O-N 3.18Å; Y1795-I1798 PolarHBondContact O-N 3.29Å; Y1795-D1799 VanDerWaalsContact O-CB 3.29Å; Y1795-D1799 WeakPolarHBondContact O-CB 3.46Å; Y1795-D1799 PolarHBondContact O-N 3.5Å; Y1795-A1844 HydrophobicContact CD1-CB 4.26Å; Y1795-A1844 HydrophobicContact CE1-CB 3.93Å; Y1795-F1857 HydrophobicContact CD1-CZ 4.14Å; Y1795-F1857 HydrophobicContact CE1-CE1 4.4Å; Y1795-F1857 AromaticContact CE1-CE2 3.72Å; Y1795-F1857 HydrophobicContact CE1-CE2 3.72Å; Y1795-F1857 AromaticContact CE1-CZ 3.44Å; Y1795-F1857 HydrophobicContact CE1-CZ 3.44Å; Y1795-F1857 VanDerWaalsContact CE1-CZ 3.44Å; Y1795-A1912 HydrophobicContact CD2-CB 4.46Å; Y1795-A1912 HydrophobicContact CE1-CB 4.09Å; Y1795-A1912 HydrophobicContact CE2-CB 3.95Å; Y1795-I1913 HydrophobicContact CD2-CG1 4.26Å; Y1795-I1913 HydrophobicContact CG-CG1 4.21Å |
| 1796 | E | 72.8 | Confident | 75.8 | Confident | 48 Ų | 48 | 38.7 Ų | 38.7 | 22% | 0.224 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -33.1 | 174.2 | -70 | -159.5 | 169.6 | 0 | 0 | 112.7 | K1106 Q1792 N1800 S1920 | K1106-E1796 IonicContact NZ-OE1 3.09Å; K1106-E1796 PolarHBondContact NZ-OE1 2.91Å; K1106-E1796 IonicContact NZ-OE2 2.66Å; K1106-E1796 PolarHBondContact NZ-OE2 3.4Å; Q1792-E1796 PolarHBondContact O-N 3.44Å; E1796-N1800 WeakPolarHBondContact O-CB 3.32Å; E1796-N1800 PolarHBondContact O-N 2.96Å; E1796-N1800 VanDerWaalsContact O-N 3.08Å; E1796-N1800 PolarHBondContact O-ND2 3.42Å; E1796-S1920 VanDerWaalsContact OE1-CB 3.28Å; E1796-S1920 WeakPolarHBondContact OE1-CB 3.44Å; E1796-S1920 PolarHBondContact OE1-OG 3.16Å |
| 1797 | Q | 77.6 | Confident | 76.3 | Confident | 60 Ų | 60 | 42.1 Ų | 42.1 | 28% | 0.28 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.2 | -39.6 | 175.5 | -78.7 | 179.9 | -21.7 | 0 | 0 | 112.8 | G1793 F1794 Y1795 N1801 A1840 | G1793-Q1797 WeakPolarHBondContact O-CG 3.45Å; G1793-Q1797 PolarHBondContact O-N 3.12Å; F1794-Q1797 PolarHBondContact O-N 3.18Å; F1794-Q1797 VanDerWaalsContact O-N 3.16Å; Y1795-Q1797 VanDerWaalsContact C-N 3.28Å; Y1795-Q1797 PolarHBondContact O-N 3.18Å; Q1797-N1801 WeakPolarHBondContact O-CB 3.36Å; Q1797-N1801 VanDerWaalsContact O-CG 3.26Å; Q1797-N1801 PolarHBondContact O-N 3.41Å; Q1797-N1801 PolarHBondContact O-ND2 3Å; Q1797-A1840 HydrophobicContact CB-CB 4.01Å |
| 1798 | I | 85.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.9 | -49.4 | 175.9 | -61.9 | 164.7 | 0 | 0 | 0 | 109.1 | F1794 Y1795 N1801 S1802 L1837 A1840 A1844 L1905 V1909 | F1794-I1798 WeakPolarHBondContact O-CG1 3.42Å; F1794-I1798 PolarHBondContact O-N 2.95Å; Y1795-I1798 PolarHBondContact O-N 3.29Å; I1798-N1801 PolarHBondContact O-N 2.87Å; I1798-S1802 VanDerWaalsContact O-CB 3.26Å; I1798-S1802 WeakPolarHBondContact O-CB 3.32Å; I1798-S1802 PolarHBondContact O-N 3.31Å; I1798-S1802 PolarHBondContact O-OG 3.42Å; I1798-S1802 VanDerWaalsContact O-OG 3.12Å; I1798-L1837 HydrophobicContact CB-CD1 4.36Å; I1798-L1837 HydrophobicContact CG2-CD1 3.8Å; I1798-A1840 HydrophobicContact CG1-CB 3.71Å; I1798-A1844 HydrophobicContact CD1-CB 3.78Å; I1798-L1905 HydrophobicContact CG2-CD1 4.36Å; I1798-L1905 HydrophobicContact CG2-CD2 4.11Å; I1798-L1905 HydrophobicContact CG2-CG 4.17Å; I1798-V1909 HydrophobicContact CB-CG2 4.16Å; I1798-V1909 HydrophobicContact CG2-CG2 3.57Å |
| 1799 | D | 77.8 | Confident | 78.4 | Confident | 14 Ų | 14 | 34.5 Ų | 34.5 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.4 | -54.3 | -179.8 | -171.7 | 91.4 | 0 | 0 | 0 | 112.6 | Y1795 N1801 S1802 H1803 V1909 T1921 | Y1795-D1799 VanDerWaalsContact O-CB 3.29Å; Y1795-D1799 WeakPolarHBondContact O-CB 3.46Å; Y1795-D1799 PolarHBondContact O-N 3.5Å; D1799-N1801 PolarHBondContact O-N 3.45Å; D1799-S1802 PolarHBondContact O-N 3Å; D1799-H1803 PolarHBondContact O-CD2 2.77Å; D1799-H1803 PolarHBondContact O-N 3.12Å; D1799-H1803 IonicContact OD2-CD2 2.81Å; D1799-V1909 HydrophobicContact CB-CG1 4.21Å; D1799-T1921 HydrophobicContact CB-CG2 4.13Å; D1799-T1921 VanDerWaalsContact CG-CG2 3.42Å; D1799-T1921 VanDerWaalsContact OD2-CG2 3.26Å; D1799-T1921 WeakPolarHBondContact OD2-CG2 3.39Å |
| 1800 | N | 76.1 | Confident | 79.4 | Confident | 43 Ų | 43 | 36.1 Ų | 36.1 | 23% | 0.23 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.2 | -46.1 | 178.3 | -84.8 | -83.1 | 0 | 0 | 0 | 112.6 | E1796 Q1804 | E1796-N1800 WeakPolarHBondContact O-CB 3.32Å; E1796-N1800 PolarHBondContact O-N 2.96Å; E1796-N1800 VanDerWaalsContact O-N 3.08Å; E1796-N1800 PolarHBondContact O-ND2 3.42Å; N1800-Q1804 WeakPolarHBondContact O-CB 3.33Å; N1800-Q1804 VanDerWaalsContact O-CG 3.31Å; N1800-Q1804 WeakPolarHBondContact O-CG 3.19Å; N1800-Q1804 PolarHBondContact O-N 2.66Å |
| 1801 | N | 83.4 | Confident | 80.1 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.3 | -40.2 | -179.9 | -73.6 | -41.9 | 0 | 0 | 0 | 111.5 | Q1797 I1798 D1799 L1805 L1837 | Q1797-N1801 WeakPolarHBondContact O-CB 3.36Å; Q1797-N1801 VanDerWaalsContact O-CG 3.26Å; Q1797-N1801 PolarHBondContact O-N 3.41Å; Q1797-N1801 PolarHBondContact O-ND2 3Å; I1798-N1801 PolarHBondContact O-N 2.87Å; D1799-N1801 PolarHBondContact O-N 3.45Å; N1801-L1805 WeakPolarHBondContact O-CB 3.41Å; N1801-L1805 VanDerWaalsContact O-CG 3.3Å; N1801-L1805 WeakPolarHBondContact O-CG 3.34Å; N1801-L1805 PolarHBondContact O-N 2.98Å; N1801-L1837 HydrophobicContact CB-CB 4.24Å; N1801-L1837 HydrophobicContact CB-CD1 4.24Å |
| 1802 | S | 85.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66 | -44.1 | 178.1 | -74 | 0 | 0 | 0 | 0 | 112.4 | I1798 D1799 L1805 A1806 I1902 | I1798-S1802 VanDerWaalsContact O-CB 3.26Å; I1798-S1802 WeakPolarHBondContact O-CB 3.32Å; I1798-S1802 PolarHBondContact O-N 3.31Å; I1798-S1802 PolarHBondContact O-OG 3.42Å; I1798-S1802 VanDerWaalsContact O-OG 3.12Å; D1799-S1802 PolarHBondContact O-N 3Å; S1802-L1805 PolarHBondContact O-N 3.24Å; S1802-A1806 PolarHBondContact O-N 3.3Å; S1802-I1902 WeakPolarHBondContact O-CG2 3.46Å |
| 1803 | H | 77.8 | Confident | 81.5 | Confident | 43 Ų | 43 | 27.9 Ų | 27.9 | 20% | 0.199 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 174.7 | -84.6 | -68 | 0 | 0 | 0 | 112.7 | D1799 L1805 A1806 E1807 E1925 | D1799-H1803 PolarHBondContact O-CD2 2.77Å; D1799-H1803 PolarHBondContact O-N 3.12Å; D1799-H1803 IonicContact OD2-CD2 2.81Å; H1803-L1805 VanDerWaalsContact C-N 3.31Å; H1803-L1805 PolarHBondContact O-N 3.45Å; H1803-A1806 PolarHBondContact O-N 3.31Å; H1803-E1807 PolarHBondContact O-N 3.27Å; H1803-E1925 IonicContact CE1-OE1 3.83Å; H1803-E1925 IonicContact ND1-OE1 2.73Å |
| 1804 | Q | 79.2 | Confident | 82.2 | Confident | 34 Ų | 34 | 30.8 Ų | 30.8 | 16% | 0.159 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.1 | -32.5 | 176 | -73.3 | -62.8 | -68.4 | 0 | 0 | 113 | N1800 E1807 R1808 F1833 | N1800-Q1804 WeakPolarHBondContact O-CB 3.33Å; N1800-Q1804 VanDerWaalsContact O-CG 3.31Å; N1800-Q1804 WeakPolarHBondContact O-CG 3.19Å; N1800-Q1804 PolarHBondContact O-N 2.66Å; Q1804-E1807 PolarHBondContact NE2-OE2 3.38Å; Q1804-R1808 WeakPolarHBondContact O-CG 3.37Å; Q1804-F1833 HydrophobicContact CB-CD1 4.19Å; Q1804-F1833 HydrophobicContact CB-CE1 3.79Å; Q1804-F1833 HydrophobicContact CB-CE2 4.41Å; Q1804-F1833 HydrophobicContact CB-CZ 3.92Å; Q1804-F1833 HydrophobicContact CG-CE1 4.2Å; Q1804-F1833 HydrophobicContact CG-CZ 4.47Å |
| 1805 | L | 86.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.9 | -49.3 | 171.6 | -77.2 | 171.2 | 0 | 0 | 0 | 111.4 | N1801 S1802 H1803 E1807 R1808 V1809 I1830 F1833 F1834 L1837 I1902 | N1801-L1805 WeakPolarHBondContact O-CB 3.41Å; N1801-L1805 VanDerWaalsContact O-CG 3.3Å; N1801-L1805 WeakPolarHBondContact O-CG 3.34Å; N1801-L1805 PolarHBondContact O-N 2.98Å; S1802-L1805 PolarHBondContact O-N 3.24Å; H1803-L1805 VanDerWaalsContact C-N 3.31Å; H1803-L1805 PolarHBondContact O-N 3.45Å; L1805-E1807 VanDerWaalsContact C-N 3.3Å; L1805-E1807 PolarHBondContact O-N 3.33Å; L1805-R1808 PolarHBondContact O-N 3.08Å; L1805-V1809 WeakPolarHBondContact O-CG2 3.37Å; L1805-V1809 PolarHBondContact O-N 3.11Å; L1805-I1830 HydrophobicContact CD2-CG2 3.83Å; L1805-F1833 HydrophobicContact CD1-CB 4.24Å; L1805-F1833 HydrophobicContact CD2-CB 3.94Å; L1805-F1833 HydrophobicContact CD2-CD2 4.08Å; L1805-F1833 HydrophobicContact CD2-CG 4.39Å; L1805-F1833 HydrophobicContact CG-CB 3.9Å; L1805-F1833 HydrophobicContact CG-CD2 4.46Å; L1805-F1833 HydrophobicContact CG-CG 4.4Å; L1805-F1834 HydrophobicContact CD1-CD2 4.35Å; L1805-F1834 HydrophobicContact CD1-CE1 4.3Å; L1805-F1834 HydrophobicContact CD1-CE2 3.96Å; L1805-F1834 HydrophobicContact CD1-CZ 3.93Å; L1805-F1834 HydrophobicContact CD2-CD2 3.88Å; L1805-F1834 HydrophobicContact CD2-CE2 3.36Å; L1805-F1834 HydrophobicContact CD2-CZ 4.03Å; L1805-F1834 HydrophobicContact CG-CE2 4.32Å; L1805-L1837 HydrophobicContact CD1-CD2 3.8Å; L1805-I1902 HydrophobicContact CB-CD1 3.95Å |
| 1806 | A | 84 | Confident | 82.5 | Confident | 24 Ų | 24 | 30.2 Ų | 30.2 | 20% | 0.198 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.6 | -40.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1802 H1803 R1808 P1810 I1902 | S1802-A1806 PolarHBondContact O-N 3.3Å; H1803-A1806 PolarHBondContact O-N 3.31Å; A1806-R1808 VanDerWaalsContact C-N 3.28Å; A1806-R1808 PolarHBondContact O-N 3.27Å; A1806-P1810 WeakPolarHBondContact O-CD 3.33Å; A1806-I1902 HydrophobicContact CB-CG2 4.2Å |
| 1807 | E | 79.1 | Confident | 83.1 | Confident | 100 Ų | 100 | 30 Ų | 30 | 47% | 0.467 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.5 | -26.2 | 177.7 | -71 | -179.7 | 168 | 0 | 0 | 113.7 | H1803 Q1804 L1805 K1928 | H1803-E1807 PolarHBondContact O-N 3.27Å; Q1804-E1807 PolarHBondContact NE2-OE2 3.38Å; L1805-E1807 VanDerWaalsContact C-N 3.3Å; L1805-E1807 PolarHBondContact O-N 3.33Å; E1807-K1928 WeakPolarHBondContact OE1-CE 3.15Å; E1807-K1928 IonicContact OE1-NZ 2.65Å; E1807-K1928 PolarHBondContact OE1-NZ 3.3Å |
| 1808 | R | 84.5 | Confident | 83.2 | Confident | 53 Ų | 53 | 35.5 Ų | 35.5 | 20% | 0.2 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -90.7 | -21.5 | -175.5 | -68.9 | 175.2 | 179.1 | -128.4 | -16.1 | 113.6 | Q1804 L1805 A1806 G1811 L1812 D1829 I1830 | Q1804-R1808 WeakPolarHBondContact O-CG 3.37Å; L1805-R1808 PolarHBondContact O-N 3.08Å; A1806-R1808 VanDerWaalsContact C-N 3.28Å; A1806-R1808 PolarHBondContact O-N 3.27Å; R1808-G1811 PolarHBondContact O-N 3.01Å; R1808-L1812 PolarHBondContact O-N 3.36Å; R1808-D1829 IonicContact CZ-OD1 2.61Å; R1808-D1829 PolarHBondContact NH1-O 2.84Å; R1808-D1829 IonicContact NH1-OD1 2.63Å; R1808-D1829 PolarHBondContact NH1-OD1 3.38Å; R1808-D1829 IonicContact NH1-OD2 2.96Å; R1808-D1829 IonicContact NH2-OD1 2.83Å; R1808-I1830 HydrophobicContact CB-CD1 4.12Å; R1808-I1830 HydrophobicContact CB-CG1 3.73Å |
| 1809 | V | 86.4 | Confident | 82.8 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.2 | -48 | -179.6 | 175 | 0 | 0 | 0 | 0 | 113.4 | L1805 G1811 L1812 Q1813 L1871 L1898 | L1805-V1809 WeakPolarHBondContact O-CG2 3.37Å; L1805-V1809 PolarHBondContact O-N 3.11Å; V1809-G1811 VanDerWaalsContact C-N 3.26Å; V1809-G1811 PolarHBondContact O-N 3.46Å; V1809-L1812 PolarHBondContact O-N 2.9Å; V1809-L1812 VanDerWaalsContact O-N 3.08Å; V1809-Q1813 HydrophobicContact CG1-CG 4.32Å; V1809-Q1813 PolarHBondContact O-N 3.49Å; V1809-L1871 HydrophobicContact CG1-CD2 4.08Å; V1809-L1898 HydrophobicContact CG1-CD2 4.37Å; V1809-L1898 HydrophobicContact CG2-CD2 3.49Å; V1809-L1898 VanDerWaalsContact CG2-CD2 3.49Å; V1809-L1898 HydrophobicContact CG2-CG 4.09Å |
| 1810 | P | 85.9 | Confident | 83 | Confident | 67 Ų | 67 | 38.3 Ų | 38.3 | 44% | 0.435 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.5 | -34.3 | -179.3 | -24.2 | 35.5 | 0 | 0 | 0 | 113.1 | A1806 L1812 Q1813 V1814 | A1806-P1810 WeakPolarHBondContact O-CD 3.33Å; P1810-L1812 VanDerWaalsContact C-N 3.34Å; P1810-L1812 PolarHBondContact O-N 3.41Å; P1810-Q1813 PolarHBondContact O-N 3.01Å; P1810-V1814 WeakPolarHBondContact O-CG2 3.39Å; P1810-V1814 PolarHBondContact O-N 3.48Å |
| 1811 | G | 82.8 | Confident | 83.2 | Confident | 25 Ų | 25 | 37.7 Ų | 37.7 | 26% | 0.258 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.2 | -37.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1808 V1809 A1815 | R1808-G1811 PolarHBondContact O-N 3.01Å; V1809-G1811 VanDerWaalsContact C-N 3.26Å; V1809-G1811 PolarHBondContact O-N 3.46Å; G1811-A1815 WeakPolarHBondContact O-CB 3.41Å; G1811-A1815 PolarHBondContact O-N 3.12Å |
| 1812 | L | 87.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.9 | -39.3 | 172.7 | -176.4 | 61.9 | 0 | 0 | 0 | 111.7 | R1808 V1809 P1810 V1814 A1815 A1816 R1826 V1827 I1830 L1871 T1875 | R1808-L1812 PolarHBondContact O-N 3.36Å; V1809-L1812 PolarHBondContact O-N 2.9Å; V1809-L1812 VanDerWaalsContact O-N 3.08Å; P1810-L1812 VanDerWaalsContact C-N 3.34Å; P1810-L1812 PolarHBondContact O-N 3.41Å; L1812-V1814 PolarHBondContact O-N 3.29Å; L1812-A1815 PolarHBondContact O-N 3.01Å; L1812-A1816 WeakPolarHBondContact O-CB 3.31Å; L1812-A1816 PolarHBondContact O-N 3.03Å; L1812-R1826 HydrophobicContact CB-CB 4.27Å; L1812-R1826 HydrophobicContact CD1-CB 3.82Å; L1812-V1827 HydrophobicContact CD1-CG2 3.85Å; L1812-I1830 HydrophobicContact CB-CD1 3.82Å; L1812-I1830 HydrophobicContact CD2-CD1 3.81Å; L1812-I1830 HydrophobicContact CG-CD1 4.38Å; L1812-L1871 HydrophobicContact CD2-CD2 3.87Å; L1812-L1871 HydrophobicContact CD2-CG 4.01Å; L1812-T1875 HydrophobicContact CD1-CG2 4.1Å |
| 1813 | Q | 87.1 | Confident | 83.1 | Confident | 31 Ų | 31 | 38.8 Ų | 38.8 | 15% | 0.145 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 177.8 | -67.3 | 179.6 | -65.6 | 0 | 0 | 112.8 | V1809 P1810 K1817 V1891 D1892 | V1809-Q1813 HydrophobicContact CG1-CG 4.32Å; V1809-Q1813 PolarHBondContact O-N 3.49Å; P1810-Q1813 PolarHBondContact O-N 3.01Å; Q1813-K1817 VanDerWaalsContact O-CG 3.31Å; Q1813-K1817 WeakPolarHBondContact O-CG 3.46Å; Q1813-K1817 PolarHBondContact O-N 2.91Å; Q1813-V1891 HydrophobicContact CB-CG1 4.13Å; Q1813-V1891 HydrophobicContact CG-CG1 4.09Å; Q1813-V1891 PolarHBondContact NE2-O 3.44Å; Q1813-D1892 PolarHBondContact NE2-O 3.06Å |
| 1814 | V | 85.4 | Confident | 83.3 | Confident | 76 Ų | 76 | 36.9 Ų | 36.9 | 46% | 0.461 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.2 | -46.9 | 174.9 | 175 | 0 | 0 | 0 | 0 | 110.7 | P1810 L1812 A1816 K1817 R1818 | P1810-V1814 WeakPolarHBondContact O-CG2 3.39Å; P1810-V1814 PolarHBondContact O-N 3.48Å; L1812-V1814 PolarHBondContact O-N 3.29Å; V1814-A1816 PolarHBondContact O-N 3.41Å; V1814-K1817 PolarHBondContact O-N 2.91Å; V1814-K1817 VanDerWaalsContact O-N 3.15Å; V1814-R1818 PolarHBondContact O-N 3.17Å; V1814-R1818 VanDerWaalsContact O-N 3.13Å |
| 1815 | A | 83.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.6 | -46.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1811 L1812 K1817 R1818 E1819 N1822 I1823 R1826 G1880 | G1811-A1815 WeakPolarHBondContact O-CB 3.41Å; G1811-A1815 PolarHBondContact O-N 3.12Å; L1812-A1815 PolarHBondContact O-N 3.01Å; A1815-K1817 PolarHBondContact O-N 3.42Å; A1815-K1817 VanDerWaalsContact O-N 3.12Å; A1815-R1818 PolarHBondContact O-N 3.5Å; A1815-E1819 CarbonylContact O-C 3.46Å; A1815-E1819 PolarHBondContact O-N 2.92Å; A1815-N1822 HydrophobicContact CB-CB 4.11Å; A1815-I1823 HydrophobicContact CB-CG1 4.1Å; A1815-R1826 HydrophobicContact CB-CG 4.31Å; A1815-G1880 WeakPolarHBondContact O-CA 3.38Å |
| 1816 | A | 85.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.8 | -25.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | L1812 V1814 T1875 S1878 G1880 V1891 | L1812-A1816 WeakPolarHBondContact O-CB 3.31Å; L1812-A1816 PolarHBondContact O-N 3.03Å; V1814-A1816 PolarHBondContact O-N 3.41Å; A1816-T1875 HydrophobicContact CB-CG2 3.83Å; A1816-S1878 VanDerWaalsContact O-CB 3.32Å; A1816-S1878 WeakPolarHBondContact O-CB 3.44Å; A1816-S1878 PolarHBondContact O-OG 3.31Å; A1816-G1880 VanDerWaalsContact O-CA 3.28Å; A1816-G1880 WeakPolarHBondContact O-CA 3.19Å; A1816-G1880 PolarHBondContact O-N 3.44Å; A1816-G1880 VanDerWaalsContact O-N 3.09Å; A1816-V1891 HydrophobicContact CB-CG1 3.89Å; A1816-V1891 HydrophobicContact CB-CG2 4.33Å |
| 1817 | K | 84.5 | Confident | 83.5 | Confident | 44 Ų | 44 | 39.9 Ų | 39.9 | 19% | 0.191 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -91.8 | -30.5 | 178.6 | -70.1 | 175.3 | -178.5 | -176.3 | 0 | 114.5 | Q1813 V1814 A1815 N1881 P1882 H1888 D1892 | Q1813-K1817 VanDerWaalsContact O-CG 3.31Å; Q1813-K1817 WeakPolarHBondContact O-CG 3.46Å; Q1813-K1817 PolarHBondContact O-N 2.91Å; V1814-K1817 PolarHBondContact O-N 2.91Å; V1814-K1817 VanDerWaalsContact O-N 3.15Å; A1815-K1817 PolarHBondContact O-N 3.42Å; A1815-K1817 VanDerWaalsContact O-N 3.12Å; K1817-N1881 CarbonylContact O-C 3.28Å; K1817-P1882 WeakPolarHBondContact O-CA 3.33Å; K1817-H1888 HydrophobicContact CD-CB 4.5Å; K1817-H1888 HydrophobicContact CG-CB 4.3Å; K1817-D1892 WeakPolarHBondContact CE-OD1 3.32Å; K1817-D1892 WeakPolarHBondContact CE-OD2 3.41Å; K1817-D1892 IonicContact NZ-OD1 2.65Å; K1817-D1892 PolarHBondContact NZ-OD1 2.6Å; K1817-D1892 IonicContact NZ-OD2 3.77Å; K1817-D1892 PolarHBondContact NZ-OD2 3.17Å |
| 1818 | R | 79.8 | Confident | 83.6 | Confident | 176 Ų | 176 | 37.4 Ų | 37.4 | 66% | 0.664 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -143.6 | -23.9 | -165.4 | -63.7 | -174.6 | -179.4 | 177.2 | 0.3 | 117 | V1814 A1815 G1880 | V1814-R1818 PolarHBondContact O-N 3.17Å; V1814-R1818 VanDerWaalsContact O-N 3.13Å; A1815-R1818 PolarHBondContact O-N 3.5Å; R1818-G1880 CarbonylContact C-O 3.57Å |
| 1819 | E | 77.3 | Confident | 83.3 | Confident | 71 Ų | 71 | 37 Ų | 37 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | trans | -126.6 | 80.5 | -167.7 | -54.9 | 171.7 | -178.8 | 0 | 0 | 109.9 | A1815 E1821 N1822 | A1815-E1819 CarbonylContact O-C 3.46Å; A1815-E1819 PolarHBondContact O-N 2.92Å; E1819-E1821 PolarHBondContact O-N 3.25Å; E1819-N1822 HydrophobicContact CB-CB 4.12Å; E1819-N1822 PolarHBondContact O-N 3.09Å; E1819-N1822 VanDerWaalsContact O-N 3.08Å; E1819-N1822 PolarHBondContact OE2-ND2 2.93Å | ||
| 1820 | A | 82 | Confident | 83.3 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -35.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1469 F1470 P1752 N1822 I1823 A1879 | Y1469-A1820 HydrophobicContact CD1-CB 4.15Å; Y1469-A1820 HydrophobicContact CG-CB 4.42Å; F1470-A1820 HydrophobicContact CD2-CB 4.3Å; F1470-A1820 HydrophobicContact CE2-CB 3.85Å; P1752-A1820 WeakPolarHBondContact CB-O 3.4Å; P1752-A1820 HydrophobicContact CG-CB 3.73Å; A1820-N1822 PolarHBondContact O-N 3.41Å; A1820-I1823 PolarHBondContact O-N 3.38Å; A1820-A1879 WeakPolarHBondContact CB-O 3.48Å |
| 1821 | E | 79.6 | Confident | 83.3 | Confident | 30 Ų | 30 | 34.8 Ų | 34.8 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -26 | 175.8 | 59.6 | -90.7 | -146.1 | 0 | 0 | 114.2 | L1542 A1546 E1819 | L1542-E1821 HydrophobicContact CD2-CB 4.43Å; L1542-E1821 HydrophobicContact CD2-CG 4.23Å; A1546-E1821 WeakPolarHBondContact CA-O 3.48Å; A1546-E1821 HydrophobicContact CB-CB 4.35Å; E1819-E1821 PolarHBondContact O-N 3.25Å |
| 1822 | N | 81.7 | Confident | 83.3 | Confident | 33 Ų | 33 | 36.5 Ų | 36.5 | 18% | 0.176 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -93.3 | -8.8 | -180 | -77.1 | -27.3 | 0 | 0 | 0 | 113.1 | A1815 E1819 A1820 H1825 R1826 | A1815-N1822 HydrophobicContact CB-CB 4.11Å; E1819-N1822 HydrophobicContact CB-CB 4.12Å; E1819-N1822 PolarHBondContact O-N 3.09Å; E1819-N1822 VanDerWaalsContact O-N 3.08Å; E1819-N1822 PolarHBondContact OE2-ND2 2.93Å; A1820-N1822 PolarHBondContact O-N 3.41Å; N1822-H1825 PolarHBondContact O-N 3.42Å; N1822-R1826 WeakPolarHBondContact O-CG 3.32Å; N1822-R1826 PolarHBondContact O-N 2.82Å |
| 1823 | I | 84.7 | Confident | 83.2 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | -178 | -66.2 | 177.6 | 0 | 0 | 0 | 111.3 | A1815 A1820 H1825 R1826 V1827 T1875 A1879 | A1815-I1823 HydrophobicContact CB-CG1 4.1Å; A1820-I1823 PolarHBondContact O-N 3.38Å; I1823-H1825 VanDerWaalsContact C-N 3.3Å; I1823-H1825 PolarHBondContact O-N 3.28Å; I1823-R1826 PolarHBondContact O-N 3.21Å; I1823-V1827 HydrophobicContact CG2-CG2 4.01Å; I1823-V1827 WeakPolarHBondContact O-CB 3.34Å; I1823-V1827 VanDerWaalsContact O-CG2 3.31Å; I1823-V1827 WeakPolarHBondContact O-CG2 3.37Å; I1823-V1827 PolarHBondContact O-N 3.22Å; I1823-T1875 HydrophobicContact CD1-CG2 4.26Å; I1823-T1875 HydrophobicContact CG1-CG2 4.49Å; I1823-T1875 HydrophobicContact CG2-CG2 3.81Å; I1823-A1879 VanDerWaalsContact CD1-C 3.43Å; I1823-A1879 WeakPolarHBondContact CD1-O 3.44Å |
| 1824 | S | 83.2 | Confident | 83.3 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.4 | -46.5 | -179.9 | -22.6 | 0 | 0 | 0 | 0 | 111.3 | A1546 G1753 C1828 | A1546-S1824 WeakPolarHBondContact O-CB 3.49Å; A1546-S1824 PolarHBondContact O-OG 3.39Å; G1753-S1824 WeakPolarHBondContact CA-OG 3.25Å; G1753-S1824 PolarHBondContact N-OG 3.47Å; G1753-S1824 VanDerWaalsContact N-OG 3.1Å; S1824-C1828 WeakPolarHBondContact O-CB 3.48Å; S1824-C1828 PolarHBondContact O-N 3.29Å; S1824-C1828 PolarHBondContact O-SG 3.04Å; S1824-C1828 VanDerWaalsContact O-SG 3.35Å |
| 1825 | H | 81.1 | Confident | 83.4 | Confident | 20 Ų | 20 | 36.3 Ų | 36.3 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -52.6 | 177.6 | -70.1 | -66.9 | 0 | 0 | 0 | 111.5 | V1545 D1547 S1550 N1822 I1823 V1827 C1828 D1829 | V1545-H1825 PolarHBondContact O-NE2 2.82Å; D1547-H1825 PolarHBondContact O-CE1 3.44Å; D1547-H1825 PolarHBondContact O-NE2 3.36Å; S1550-H1825 PolarHBondContact O-CE1 2.89Å; N1822-H1825 PolarHBondContact O-N 3.42Å; I1823-H1825 VanDerWaalsContact C-N 3.3Å; I1823-H1825 PolarHBondContact O-N 3.28Å; H1825-V1827 PolarHBondContact O-N 2.86Å; H1825-C1828 PolarHBondContact O-N 3.39Å; H1825-D1829 VanDerWaalsContact O-CB 3.26Å; H1825-D1829 WeakPolarHBondContact O-CB 3.35Å; H1825-D1829 PolarHBondContact O-N 3.39Å |
| 1826 | R | 84.3 | Confident | 83.4 | Confident | 102 Ų | 102 | 37.8 Ų | 37.8 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.8 | -36 | -178 | -63.9 | -55.1 | -176.9 | -160.1 | 1.1 | 113.3 | L1812 A1815 N1822 I1823 D1829 I1830 | L1812-R1826 HydrophobicContact CB-CB 4.27Å; L1812-R1826 HydrophobicContact CD1-CB 3.82Å; A1815-R1826 HydrophobicContact CB-CG 4.31Å; N1822-R1826 WeakPolarHBondContact O-CG 3.32Å; N1822-R1826 PolarHBondContact O-N 2.82Å; I1823-R1826 PolarHBondContact O-N 3.21Å; R1826-D1829 IonicContact NH1-OD2 3.69Å; R1826-I1830 WeakPolarHBondContact O-CB 3.47Å; R1826-I1830 WeakPolarHBondContact O-CD1 3.46Å; R1826-I1830 VanDerWaalsContact O-CG1 3.25Å; R1826-I1830 WeakPolarHBondContact O-CG1 3.29Å; R1826-I1830 PolarHBondContact O-N 3.39Å |
| 1827 | V | 86.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.7 | -50 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | A1760 L1812 I1823 H1825 D1829 I1830 M1831 L1872 | A1760-V1827 HydrophobicContact CB-CG1 3.73Å; L1812-V1827 HydrophobicContact CD1-CG2 3.85Å; I1823-V1827 HydrophobicContact CG2-CG2 4.01Å; I1823-V1827 WeakPolarHBondContact O-CB 3.34Å; I1823-V1827 VanDerWaalsContact O-CG2 3.31Å; I1823-V1827 WeakPolarHBondContact O-CG2 3.37Å; I1823-V1827 PolarHBondContact O-N 3.22Å; H1825-V1827 PolarHBondContact O-N 2.86Å; V1827-D1829 PolarHBondContact O-N 3.43Å; V1827-I1830 PolarHBondContact O-N 2.95Å; V1827-I1830 VanDerWaalsContact O-N 3.13Å; V1827-M1831 HydrophobicContact CG1-CG 4.27Å; V1827-M1831 WeakPolarHBondContact O-CG 3.49Å; V1827-M1831 PolarHBondContact O-N 3.09Å; V1827-L1872 HydrophobicContact CG1-CD2 3.97Å; V1827-L1872 HydrophobicContact CG2-CD2 4.03Å |
| 1828 | C | 81.8 | Confident | 83.8 | Confident | 48 Ų | 48 | 35.8 Ų | 35.8 | 32% | 0.324 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 176.2 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | S1824 H1825 I1830 M1831 | S1824-C1828 WeakPolarHBondContact O-CB 3.48Å; S1824-C1828 PolarHBondContact O-N 3.29Å; S1824-C1828 PolarHBondContact O-SG 3.04Å; S1824-C1828 VanDerWaalsContact O-SG 3.35Å; H1825-C1828 PolarHBondContact O-N 3.39Å; C1828-I1830 PolarHBondContact O-N 2.55Å; C1828-M1831 PolarHBondContact O-N 2.99Å |
| 1829 | D | 78.1 | Confident | 84.2 | Confident | 45 Ų | 45 | 31 Ų | 31 | 24% | 0.241 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54 | -35.2 | 174.8 | -103.6 | -26.6 | 0 | 0 | 0 | 112.9 | R1808 H1825 R1826 V1827 F1833 | R1808-D1829 IonicContact CZ-OD1 2.61Å; R1808-D1829 PolarHBondContact NH1-O 2.84Å; R1808-D1829 IonicContact NH1-OD1 2.63Å; R1808-D1829 PolarHBondContact NH1-OD1 3.38Å; R1808-D1829 IonicContact NH1-OD2 2.96Å; R1808-D1829 IonicContact NH2-OD1 2.83Å; H1825-D1829 VanDerWaalsContact O-CB 3.26Å; H1825-D1829 WeakPolarHBondContact O-CB 3.35Å; H1825-D1829 PolarHBondContact O-N 3.39Å; R1826-D1829 IonicContact NH1-OD2 3.69Å; V1827-D1829 PolarHBondContact O-N 3.43Å; D1829-F1833 WeakPolarHBondContact O-CE2 3.31Å |
| 1830 | I | 85.9 | Confident | 84.6 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -87.3 | -36.9 | -176.8 | -72 | 169.5 | 0 | 0 | 0 | 110.9 | L1805 R1808 L1812 R1826 V1827 C1828 V1832 F1833 F1834 | L1805-I1830 HydrophobicContact CD2-CG2 3.83Å; R1808-I1830 HydrophobicContact CB-CD1 4.12Å; R1808-I1830 HydrophobicContact CB-CG1 3.73Å; L1812-I1830 HydrophobicContact CB-CD1 3.82Å; L1812-I1830 HydrophobicContact CD2-CD1 3.81Å; L1812-I1830 HydrophobicContact CG-CD1 4.38Å; R1826-I1830 WeakPolarHBondContact O-CB 3.47Å; R1826-I1830 WeakPolarHBondContact O-CD1 3.46Å; R1826-I1830 VanDerWaalsContact O-CG1 3.25Å; R1826-I1830 WeakPolarHBondContact O-CG1 3.29Å; R1826-I1830 PolarHBondContact O-N 3.39Å; V1827-I1830 PolarHBondContact O-N 2.95Å; V1827-I1830 VanDerWaalsContact O-N 3.13Å; C1828-I1830 PolarHBondContact O-N 2.55Å; I1830-V1832 PolarHBondContact O-N 3.29Å; I1830-F1833 PolarHBondContact O-N 2.8Å; I1830-F1834 HydrophobicContact CG2-CD2 4.33Å; I1830-F1834 HydrophobicContact CG2-CE2 3.68Å; I1830-F1834 WeakPolarHBondContact O-CD2 3.3Å |
| 1831 | M | 86.2 | Confident | 85 | Confident | 20 Ų | 20 | 27.5 Ų | 27.5 | 10% | 0.099 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -20.3 | -178.1 | -70.2 | -50.5 | 92.4 | 0 | 0 | 115 | A1760 M1764 V1827 C1828 F1833 F1834 Q1868 L1872 | A1760-M1831 HydrophobicContact CB-CG 3.77Å; A1760-M1831 HydrophobicContact CB-SD 3.55Å; A1760-M1831 VanDerWaalsContact CB-SD 3.55Å; M1764-M1831 HydrophobicContact CE-CE 3.36Å; M1764-M1831 HydrophobicContact CE-SD 3.44Å; M1764-M1831 WeakPolarHBondContact CE-SD 3.19Å; M1764-M1831 HydrophobicContact CG-SD 4.36Å; V1827-M1831 HydrophobicContact CG1-CG 4.27Å; V1827-M1831 WeakPolarHBondContact O-CG 3.49Å; V1827-M1831 PolarHBondContact O-N 3.09Å; C1828-M1831 PolarHBondContact O-N 2.99Å; M1831-F1833 VanDerWaalsContact C-N 3.32Å; M1831-F1833 PolarHBondContact O-N 3.21Å; M1831-F1834 HydrophobicContact CE-CD2 4.25Å; M1831-F1834 HydrophobicContact CE-CE2 4.35Å; M1831-Q1868 HydrophobicContact CE-CG 4.04Å; M1831-L1872 HydrophobicContact CE-CD1 4.25Å; M1831-L1872 HydrophobicContact SD-CD1 4.43Å |
| 1832 | V | 82.6 | Confident | 85.4 | Confident | 60 Ų | 60 | 27.8 Ų | 27.8 | 36% | 0.364 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65 | -32.8 | -179.5 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | P1090 T1091 I1830 P1836 | P1090-V1832 HydrophobicContact CB-CG1 4.37Å; T1091-V1832 HydrophobicContact CG2-CG1 3.96Å; I1830-V1832 PolarHBondContact O-N 3.29Å; V1832-P1836 VanDerWaalsContact O-CD 3.27Å; V1832-P1836 WeakPolarHBondContact O-CD 3.31Å |
| 1833 | F | 86.8 | Confident | 85.6 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -85.3 | -24.6 | -172.9 | -57.8 | -77.9 | 0 | 0 | 0 | 114.4 | P1090 Q1804 L1805 D1829 I1830 M1831 E1835 P1836 L1837 | P1090-F1833 HydrophobicContact CG-CD1 3.85Å; P1090-F1833 HydrophobicContact CG-CE1 3.85Å; Q1804-F1833 HydrophobicContact CB-CD1 4.19Å; Q1804-F1833 HydrophobicContact CB-CE1 3.79Å; Q1804-F1833 HydrophobicContact CB-CE2 4.41Å; Q1804-F1833 HydrophobicContact CB-CZ 3.92Å; Q1804-F1833 HydrophobicContact CG-CE1 4.2Å; Q1804-F1833 HydrophobicContact CG-CZ 4.47Å; L1805-F1833 HydrophobicContact CD1-CB 4.24Å; L1805-F1833 HydrophobicContact CD2-CB 3.94Å; L1805-F1833 HydrophobicContact CD2-CD2 4.08Å; L1805-F1833 HydrophobicContact CD2-CG 4.39Å; L1805-F1833 HydrophobicContact CG-CB 3.9Å; L1805-F1833 HydrophobicContact CG-CD2 4.46Å; L1805-F1833 HydrophobicContact CG-CG 4.4Å; D1829-F1833 WeakPolarHBondContact O-CE2 3.31Å; I1830-F1833 PolarHBondContact O-N 2.8Å; M1831-F1833 VanDerWaalsContact C-N 3.32Å; M1831-F1833 PolarHBondContact O-N 3.21Å; F1833-E1835 PolarHBondContact O-N 3.11Å; F1833-P1836 WeakPolarHBondContact O-CD 3.43Å; F1833-L1837 WeakPolarHBondContact O-CB 3.48Å; F1833-L1837 PolarHBondContact O-N 3.43Å |
| 1834 | F | 89.2 | Confident | 85.7 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.8 | -35 | -169.8 | -85.5 | -85 | 0 | 0 | 0 | 114.9 | M1764 L1767 L1805 I1830 M1831 T1838 V1864 I1865 Q1868 | M1764-F1834 HydrophobicContact CE-CB 3.9Å; M1764-F1834 HydrophobicContact CE-CD1 3.65Å; M1764-F1834 HydrophobicContact CE-CD2 3.32Å; M1764-F1834 HydrophobicContact CE-CE1 3.92Å; M1764-F1834 HydrophobicContact CE-CE2 3.64Å; M1764-F1834 HydrophobicContact CE-CG 3.32Å; M1764-F1834 HydrophobicContact CE-CZ 3.94Å; M1764-F1834 HydrophobicContact SD-CB 4.43Å; M1764-F1834 HydrophobicContact SD-CD1 4.11Å; M1764-F1834 HydrophobicContact SD-CG 4.16Å; L1767-F1834 HydrophobicContact CD1-CB 3.82Å; L1805-F1834 HydrophobicContact CD1-CD2 4.35Å; L1805-F1834 HydrophobicContact CD1-CE1 4.3Å; L1805-F1834 HydrophobicContact CD1-CE2 3.96Å; L1805-F1834 HydrophobicContact CD1-CZ 3.93Å; L1805-F1834 HydrophobicContact CD2-CD2 3.88Å; L1805-F1834 HydrophobicContact CD2-CE2 3.36Å; L1805-F1834 HydrophobicContact CD2-CZ 4.03Å; L1805-F1834 HydrophobicContact CG-CE2 4.32Å; I1830-F1834 HydrophobicContact CG2-CD2 4.33Å; I1830-F1834 HydrophobicContact CG2-CE2 3.68Å; I1830-F1834 WeakPolarHBondContact O-CD2 3.3Å; M1831-F1834 HydrophobicContact CE-CD2 4.25Å; M1831-F1834 HydrophobicContact CE-CE2 4.35Å; F1834-T1838 WeakPolarHBondContact O-CB 3.4Å; F1834-T1838 PolarHBondContact O-N 3.48Å; F1834-T1838 PolarHBondContact O-OG1 3Å; F1834-V1864 HydrophobicContact CE1-CG1 3.99Å; F1834-V1864 HydrophobicContact CZ-CG1 4.4Å; F1834-I1865 HydrophobicContact CD1-CG1 3.61Å; F1834-I1865 HydrophobicContact CE1-CG1 3.84Å; F1834-Q1868 HydrophobicContact CE1-CB 4.04Å; F1834-Q1868 HydrophobicContact CE1-CG 4.33Å; F1834-Q1868 HydrophobicContact CE2-CB 4.25Å; F1834-Q1868 HydrophobicContact CE2-CG 3.73Å; F1834-Q1868 HydrophobicContact CZ-CB 3.54Å; F1834-Q1868 HydrophobicContact CZ-CG 3.56Å |
| 1835 | E | 86.4 | Confident | 85.8 | Confident | 99 Ų | 99 | 26 Ų | 26 | 46% | 0.463 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -69.9 | -51.3 | 177 | 172 | 177.9 | -175.2 | 0 | 0 | 111.3 | K1763 L1767 F1833 L1837 T1838 T1839 | K1763-E1835 WeakPolarHBondContact CE-OE2 3.44Å; K1763-E1835 IonicContact NZ-OE2 2.66Å; K1763-E1835 PolarHBondContact NZ-OE2 3.1Å; L1767-E1835 HydrophobicContact CD2-CB 4.32Å; F1833-E1835 PolarHBondContact O-N 3.11Å; E1835-L1837 PolarHBondContact O-N 2.64Å; E1835-T1838 PolarHBondContact O-N 2.83Å; E1835-T1839 PolarHBondContact O-N 2.92Å; E1835-T1839 PolarHBondContact O-OG1 3.31Å |
| 1836 | P | 84.1 | Confident | 86.1 | Confident | 32 Ų | 32 | 25.7 Ų | 25.7 | 21% | 0.208 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -51.9 | -48.7 | 168 | -28.6 | 35 | 0 | 0 | 0 | 113.7 | P1090 V1832 F1833 T1838 T1839 A1840 | P1090-P1836 HydrophobicContact CB-CB 4.44Å; P1090-P1836 HydrophobicContact CB-CG 3.89Å; V1832-P1836 VanDerWaalsContact O-CD 3.27Å; V1832-P1836 WeakPolarHBondContact O-CD 3.31Å; F1833-P1836 WeakPolarHBondContact O-CD 3.43Å; P1836-T1838 PolarHBondContact O-N 3.48Å; P1836-T1839 PolarHBondContact O-N 3.3Å; P1836-T1839 PolarHBondContact O-OG1 3.44Å; P1836-A1840 WeakPolarHBondContact O-CB 3.16Å; P1836-A1840 PolarHBondContact O-N 3.11Å |
| 1837 | L | 89.6 | Confident | 86 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.9 | -47.1 | 178.1 | 178.6 | 63.3 | 0 | 0 | 0 | 111.8 | I1798 N1801 L1805 F1833 E1835 T1839 A1840 C1841 L1905 | I1798-L1837 HydrophobicContact CB-CD1 4.36Å; I1798-L1837 HydrophobicContact CG2-CD1 3.8Å; N1801-L1837 HydrophobicContact CB-CB 4.24Å; N1801-L1837 HydrophobicContact CB-CD1 4.24Å; L1805-L1837 HydrophobicContact CD1-CD2 3.8Å; F1833-L1837 WeakPolarHBondContact O-CB 3.48Å; F1833-L1837 PolarHBondContact O-N 3.43Å; E1835-L1837 PolarHBondContact O-N 2.64Å; L1837-T1839 VanDerWaalsContact C-N 3.34Å; L1837-T1839 PolarHBondContact O-N 3.3Å; L1837-A1840 PolarHBondContact O-N 2.97Å; L1837-C1841 WeakPolarHBondContact O-CB 3.48Å; L1837-C1841 PolarHBondContact O-N 3.23Å; L1837-C1841 PolarHBondContact O-SG 2.83Å; L1837-C1841 VanDerWaalsContact O-SG 3.36Å; L1837-L1905 HydrophobicContact CD1-CD2 4.32Å |
| 1838 | T | 89.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | L1767 L1771 F1834 E1835 P1836 I1842 | L1767-T1838 HydrophobicContact CD2-CG2 4.27Å; L1771-T1838 HydrophobicContact CD1-CG2 4.44Å; L1771-T1838 HydrophobicContact CD2-CG2 3.96Å; L1771-T1838 HydrophobicContact CG-CG2 3.88Å; F1834-T1838 WeakPolarHBondContact O-CB 3.4Å; F1834-T1838 PolarHBondContact O-N 3.48Å; F1834-T1838 PolarHBondContact O-OG1 3Å; E1835-T1838 PolarHBondContact O-N 2.83Å; P1836-T1838 PolarHBondContact O-N 3.48Å; T1838-I1842 HydrophobicContact CG2-CD1 4.06Å; T1838-I1842 VanDerWaalsContact O-CG1 3.31Å; T1838-I1842 WeakPolarHBondContact O-CG1 3.47Å; T1838-I1842 PolarHBondContact O-N 3.42Å; T1838-I1842 VanDerWaalsContact O-N 3.1Å |
| 1839 | T | 87.4 | Confident | 85.2 | Confident | 76 Ų | 76 | 29.3 Ų | 29.3 | 47% | 0.466 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.6 | -37.5 | 178.2 | 59 | 0 | 0 | 0 | 0 | 113.1 | E1835 P1836 L1837 I1842 G1843 | E1835-T1839 PolarHBondContact O-N 2.92Å; E1835-T1839 PolarHBondContact O-OG1 3.31Å; P1836-T1839 PolarHBondContact O-N 3.3Å; P1836-T1839 PolarHBondContact O-OG1 3.44Å; L1837-T1839 VanDerWaalsContact C-N 3.34Å; L1837-T1839 PolarHBondContact O-N 3.3Å; T1839-I1842 PolarHBondContact O-N 2.89Å; T1839-G1843 PolarHBondContact O-N 3.01Å |
| 1840 | A | 85.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.8 | -40.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | F1794 Q1797 I1798 P1836 L1837 G1843 A1844 | F1794-A1840 HydrophobicContact CD1-CB 4.36Å; Q1797-A1840 HydrophobicContact CB-CB 4.01Å; I1798-A1840 HydrophobicContact CG1-CB 3.71Å; P1836-A1840 WeakPolarHBondContact O-CB 3.16Å; P1836-A1840 PolarHBondContact O-N 3.11Å; L1837-A1840 PolarHBondContact O-N 2.97Å; A1840-G1843 PolarHBondContact O-N 3.06Å; A1840-A1844 WeakPolarHBondContact O-CB 3.26Å; A1840-A1844 PolarHBondContact O-N 3.36Å |
| 1841 | C | 89.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 173.5 | -71.5 | 0 | 0 | 0 | 0 | 112.5 | L1837 A1845 C1861 | L1837-C1841 WeakPolarHBondContact O-CB 3.48Å; L1837-C1841 PolarHBondContact O-N 3.23Å; L1837-C1841 PolarHBondContact O-SG 2.83Å; L1837-C1841 VanDerWaalsContact O-SG 3.36Å; C1841-A1845 WeakPolarHBondContact O-CB 3.44Å; C1841-A1845 PolarHBondContact O-N 3.45Å; C1841-C1861 HydrophobicContact CB-CB 4Å |
| 1842 | I | 89.6 | Confident | 84 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 18% | 0.179 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 173.6 | -65.7 | 168.5 | 0 | 0 | 0 | 110.7 | L1771 A1774 L1783 T1838 T1839 A1845 S1846 L1858 | L1771-I1842 HydrophobicContact CD2-CD1 4.25Å; L1771-I1842 HydrophobicContact CD2-CG1 4.02Å; A1774-I1842 HydrophobicContact CB-CD1 4.01Å; A1774-I1842 HydrophobicContact CB-CG1 3.87Å; A1774-I1842 HydrophobicContact CB-CG2 4.33Å; L1783-I1842 HydrophobicContact CD1-CG2 4.4Å; T1838-I1842 HydrophobicContact CG2-CD1 4.06Å; T1838-I1842 VanDerWaalsContact O-CG1 3.31Å; T1838-I1842 WeakPolarHBondContact O-CG1 3.47Å; T1838-I1842 PolarHBondContact O-N 3.42Å; T1838-I1842 VanDerWaalsContact O-N 3.1Å; T1839-I1842 PolarHBondContact O-N 2.89Å; I1842-A1845 PolarHBondContact O-N 2.96Å; I1842-S1846 WeakPolarHBondContact O-CB 3.31Å; I1842-S1846 PolarHBondContact O-N 2.9Å; I1842-L1858 HydrophobicContact CG1-CD2 4.03Å |
| 1843 | G | 85.3 | Confident | 83.8 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.9 | -52.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1839 A1840 A1845 S1846 L1847 | T1839-G1843 PolarHBondContact O-N 3.01Å; A1840-G1843 PolarHBondContact O-N 3.06Å; G1843-A1845 PolarHBondContact O-N 3.04Å; G1843-S1846 WeakPolarHBondContact O-CB 3.21Å; G1843-S1846 PolarHBondContact O-N 3.46Å; G1843-S1846 VanDerWaalsContact O-N 3.13Å; G1843-S1846 PolarHBondContact O-OG 2.72Å; G1843-L1847 PolarHBondContact O-N 3.34Å |
| 1844 | A | 85.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1794 Y1795 I1798 A1840 S1846 L1847 S1848 F1857 | F1794-A1844 HydrophobicContact CB-CB 4.2Å; Y1795-A1844 HydrophobicContact CD1-CB 4.26Å; Y1795-A1844 HydrophobicContact CE1-CB 3.93Å; I1798-A1844 HydrophobicContact CD1-CB 3.78Å; A1840-A1844 WeakPolarHBondContact O-CB 3.26Å; A1840-A1844 PolarHBondContact O-N 3.36Å; A1844-S1846 PolarHBondContact O-N 3.26Å; A1844-L1847 PolarHBondContact O-N 2.98Å; A1844-S1848 WeakPolarHBondContact O-CB 3.48Å; A1844-S1848 PolarHBondContact O-N 3.44Å; A1844-F1857 HydrophobicContact CB-CD2 4.22Å; A1844-F1857 HydrophobicContact CB-CE2 4.23Å |
| 1845 | A | 86.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -31.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1783 C1841 I1842 G1843 Q1854 L1858 | L1783-A1845 HydrophobicContact CD2-CB 4.37Å; C1841-A1845 WeakPolarHBondContact O-CB 3.44Å; C1841-A1845 PolarHBondContact O-N 3.45Å; I1842-A1845 PolarHBondContact O-N 2.96Å; G1843-A1845 PolarHBondContact O-N 3.04Å; A1845-Q1854 HydrophobicContact CB-CG 4.13Å; A1845-Q1854 WeakPolarHBondContact O-CG 3.33Å; A1845-Q1854 PolarHBondContact O-NE2 2.93Å; A1845-L1858 HydrophobicContact CB-CD1 4.19Å; A1845-L1858 HydrophobicContact CB-CD2 3.96Å; A1845-L1858 HydrophobicContact CB-CG 3.92Å |
| 1846 | S | 85.9 | Confident | 82.9 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75 | -23.3 | 177.5 | 80.6 | 0 | 0 | 0 | 0 | 114.3 | E1784 S1786 I1842 G1843 A1844 | E1784-S1846 WeakPolarHBondContact O-CB 3.31Å; S1786-S1846 WeakPolarHBondContact CB-OG 3.23Å; S1786-S1846 PolarHBondContact N-OG 2.69Å; I1842-S1846 WeakPolarHBondContact O-CB 3.31Å; I1842-S1846 PolarHBondContact O-N 2.9Å; G1843-S1846 WeakPolarHBondContact O-CB 3.21Å; G1843-S1846 PolarHBondContact O-N 3.46Å; G1843-S1846 VanDerWaalsContact O-N 3.13Å; G1843-S1846 PolarHBondContact O-OG 2.72Å; A1844-S1846 PolarHBondContact O-N 3.26Å |
| 1847 | L | 82.7 | Confident | 82.9 | Confident | 37 Ų | 37 | 38.7 Ų | 38.7 | 19% | 0.194 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -99.1 | -21.5 | 178.7 | -66.8 | 178.9 | 0 | 0 | 0 | 113.3 | P1785 E1791 F1794 G1843 A1844 M1849 | P1785-L1847 HydrophobicContact CB-CD2 4.07Å; E1791-L1847 HydrophobicContact CB-CB 4.49Å; E1791-L1847 HydrophobicContact CB-CD1 4.04Å; E1791-L1847 HydrophobicContact CG-CB 4.38Å; F1794-L1847 HydrophobicContact CD2-CD1 3.87Å; F1794-L1847 HydrophobicContact CE2-CD1 3.87Å; G1843-L1847 PolarHBondContact O-N 3.34Å; A1844-L1847 PolarHBondContact O-N 2.98Å; L1847-M1849 VanDerWaalsContact O-CE 3.22Å; L1847-M1849 WeakPolarHBondContact O-CE 3.38Å; L1847-M1849 PolarHBondContact O-N 3.35Å |
| 1848 | S | 77.6 | Confident | 82.8 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | trans | -68.4 | 119.1 | -179.8 | -165.8 | 0 | 0 | 0 | 0 | 112.3 | A1844 N1850 | A1844-S1848 WeakPolarHBondContact O-CB 3.48Å; A1844-S1848 PolarHBondContact O-N 3.44Å; S1848-N1850 VanDerWaalsContact C-N 3.26Å; S1848-N1850 PolarHBondContact O-N 2.91Å | ||
| 1849 | M | 74.6 | Confident | 82.3 | Confident | 180 Ų | 180 | 42.6 Ų | 42.6 | 89% | 0.887 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -73.7 | -13.3 | 177.2 | -61 | -68.4 | 119.7 | 0 | 0 | 113.8 | L1847 | L1847-M1849 VanDerWaalsContact O-CE 3.22Å; L1847-M1849 WeakPolarHBondContact O-CE 3.38Å; L1847-M1849 PolarHBondContact O-N 3.35Å |
| 1850 | N | 76.1 | Confident | 82.2 | Confident | 80 Ų | 80 | 40.4 Ų | 40.4 | 43% | 0.428 | 21% | 0.205 | S | C | . | . | trans | -99.5 | 108.8 | -176.7 | -179.3 | -14.4 | 0 | 0 | 0 | 110.4 | S1848 R1852 R1853 Q1854 | S1848-N1850 VanDerWaalsContact C-N 3.26Å; S1848-N1850 PolarHBondContact O-N 2.91Å; N1850-R1852 PolarHBondContact O-N 3.21Å; N1850-R1852 VanDerWaalsContact O-N 3.13Å; N1850-R1852 WeakPolarHBondContact OD1-CB 3.46Å; N1850-R1852 PolarHBondContact OD1-N 3.08Å; N1850-R1853 HydrophobicContact CB-CB 4.15Å; N1850-R1853 PolarHBondContact O-N 3.27Å; N1850-Q1854 PolarHBondContact O-N 3.43Å | ||
| 1851 | S | 73.6 | Confident | 82.4 | Confident | 75 Ų | 75 | 40.4 Ų | 40.4 | 52% | 0.524 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -55.2 | -32 | -179 | -178.1 | 0 | 0 | 0 | 0 | 114 | M1855 | S1851-M1855 PolarHBondContact O-N 3.29Å |
| 1852 | R | 75.5 | Confident | 82.2 | Confident | 172 Ų | 172 | 41.7 Ų | 41.7 | 65% | 0.649 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -67 | -44.1 | 174.8 | -67.3 | -174.6 | -175.4 | 159.4 | 5.3 | 111.4 | D174 N1850 A1856 | D174-R1852 IonicContact OD2-CZ 3.22Å; D174-R1852 VanDerWaalsContact OD2-CZ 3.26Å; D174-R1852 IonicContact OD2-NH1 3.86Å; D174-R1852 PolarHBondContact OD2-NH1 3.46Å; D174-R1852 IonicContact OD2-NH2 2.8Å; D174-R1852 PolarHBondContact OD2-NH2 2.85Å; N1850-R1852 PolarHBondContact O-N 3.21Å; N1850-R1852 VanDerWaalsContact O-N 3.13Å; N1850-R1852 WeakPolarHBondContact OD1-CB 3.46Å; N1850-R1852 PolarHBondContact OD1-N 3.08Å; R1852-A1856 WeakPolarHBondContact O-CB 3.18Å; R1852-A1856 PolarHBondContact O-N 2.96Å |
| 1853 | R | 77.9 | Confident | 81.6 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.3 | -39.6 | 177.9 | -177.8 | 175.1 | -71.1 | 150.7 | 5.9 | 111.8 | N1850 M1855 A1856 F1857 E1915 | N1850-R1853 HydrophobicContact CB-CB 4.15Å; N1850-R1853 PolarHBondContact O-N 3.27Å; R1853-M1855 PolarHBondContact O-N 3.4Å; R1853-A1856 PolarHBondContact O-N 2.99Å; R1853-F1857 HydrophobicContact CG-CD2 3.97Å; R1853-F1857 HydrophobicContact CG-CE2 3.47Å; R1853-F1857 VanDerWaalsContact CG-CE2 3.47Å; R1853-F1857 HydrophobicContact CG-CZ 3.94Å; R1853-F1857 WeakPolarHBondContact O-CD2 3.47Å; R1853-F1857 PolarHBondContact O-N 2.96Å; R1853-E1915 IonicContact CZ-OE1 3.03Å; R1853-E1915 IonicContact CZ-OE2 3.04Å; R1853-E1915 VanDerWaalsContact CZ-OE2 3.28Å; R1853-E1915 IonicContact NH1-OE1 3.8Å; R1853-E1915 IonicContact NH1-OE2 2.72Å; R1853-E1915 PolarHBondContact NH1-OE2 3.27Å; R1853-E1915 IonicContact NH2-OE1 2.71Å; R1853-E1915 PolarHBondContact NH2-OE1 2.79Å; R1853-E1915 IonicContact NH2-OE2 3.89Å; R1853-E1915 PolarHBondContact NH2-OE2 3.43Å |
| 1854 | Q | 83 | Confident | 81.8 | Confident | 28 Ų | 28 | 41.6 Ų | 41.6 | 13% | 0.131 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.7 | -48.9 | 173.3 | 175.5 | 176.4 | 63.9 | 0 | 0 | 111.8 | A1778 A1845 N1850 | A1778-Q1854 HydrophobicContact CB-CG 4.02Å; A1845-Q1854 HydrophobicContact CB-CG 4.13Å; A1845-Q1854 WeakPolarHBondContact O-CG 3.33Å; A1845-Q1854 PolarHBondContact O-NE2 2.93Å; N1850-Q1854 PolarHBondContact O-N 3.43Å |
| 1855 | M | 79.6 | Confident | 81.9 | Confident | 37 Ų | 37 | 41.6 Ų | 41.6 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.5 | -39.1 | 175.2 | -73.4 | -58.3 | -52.3 | 0 | 0 | 112.4 | A1778 I1779 S1851 R1853 F1857 L1858 D1859 | A1778-M1855 HydrophobicContact CB-SD 4.26Å; I1779-M1855 HydrophobicContact CD1-CE 4.18Å; I1779-M1855 HydrophobicContact CD1-SD 4.35Å; I1779-M1855 HydrophobicContact CG1-CE 4.29Å; I1779-M1855 HydrophobicContact CG1-SD 3.81Å; S1851-M1855 PolarHBondContact O-N 3.29Å; R1853-M1855 PolarHBondContact O-N 3.4Å; M1855-F1857 PolarHBondContact O-N 2.83Å; M1855-L1858 PolarHBondContact O-N 3.34Å; M1855-L1858 VanDerWaalsContact O-N 3.16Å; M1855-D1859 WeakPolarHBondContact O-CB 3.34Å; M1855-D1859 PolarHBondContact O-N 3.31Å |
| 1856 | A | 81.1 | Confident | 81.7 | Confident | 26 Ų | 26 | 43 Ų | 43 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.5 | -46.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1852 R1853 L1858 D1859 Q1860 T1908 | R1852-A1856 WeakPolarHBondContact O-CB 3.18Å; R1852-A1856 PolarHBondContact O-N 2.96Å; R1853-A1856 PolarHBondContact O-N 2.99Å; A1856-L1858 VanDerWaalsContact C-N 3.29Å; A1856-L1858 PolarHBondContact O-N 3.15Å; A1856-D1859 PolarHBondContact O-N 3.22Å; A1856-Q1860 WeakPolarHBondContact O-CB 3.23Å; A1856-Q1860 WeakPolarHBondContact O-CG 3.19Å; A1856-Q1860 PolarHBondContact O-N 2.96Å; A1856-Q1860 PolarHBondContact O-OE1 2.97Å; A1856-T1908 HydrophobicContact CB-CG2 4.4Å |
| 1857 | F | 84.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -38.7 | 176.7 | -73.3 | -48.7 | 0 | 0 | 0 | 112.9 | Y1795 A1844 R1853 M1855 C1861 L1905 T1908 V1909 A1912 | Y1795-F1857 HydrophobicContact CD1-CZ 4.14Å; Y1795-F1857 HydrophobicContact CE1-CE1 4.4Å; Y1795-F1857 AromaticContact CE1-CE2 3.72Å; Y1795-F1857 HydrophobicContact CE1-CE2 3.72Å; Y1795-F1857 AromaticContact CE1-CZ 3.44Å; Y1795-F1857 HydrophobicContact CE1-CZ 3.44Å; Y1795-F1857 VanDerWaalsContact CE1-CZ 3.44Å; A1844-F1857 HydrophobicContact CB-CD2 4.22Å; A1844-F1857 HydrophobicContact CB-CE2 4.23Å; R1853-F1857 HydrophobicContact CG-CD2 3.97Å; R1853-F1857 HydrophobicContact CG-CE2 3.47Å; R1853-F1857 VanDerWaalsContact CG-CE2 3.47Å; R1853-F1857 HydrophobicContact CG-CZ 3.94Å; R1853-F1857 WeakPolarHBondContact O-CD2 3.47Å; R1853-F1857 PolarHBondContact O-N 2.96Å; M1855-F1857 PolarHBondContact O-N 2.83Å; F1857-C1861 WeakPolarHBondContact O-CB 3.45Å; F1857-C1861 PolarHBondContact O-N 3.29Å; F1857-C1861 VanDerWaalsContact O-N 3.14Å; F1857-L1905 HydrophobicContact CD1-CD1 4.23Å; F1857-T1908 HydrophobicContact CD1-CG2 4.36Å; F1857-T1908 HydrophobicContact CE1-CG2 4.03Å; F1857-V1909 HydrophobicContact CE1-CG2 3.83Å; F1857-A1912 HydrophobicContact CZ-CB 4.22Å |
| 1858 | L | 86.7 | Confident | 82 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -74.9 | -45.5 | -179.7 | -62.1 | 175 | 0 | 0 | 0 | 111.8 | L1771 A1774 A1778 I1842 A1845 M1855 A1856 K1862 | L1771-L1858 HydrophobicContact CD2-CD2 3.91Å; A1774-L1858 HydrophobicContact CB-CD1 4.47Å; A1774-L1858 HydrophobicContact CB-CD2 4.13Å; A1778-L1858 HydrophobicContact CB-CD1 4.01Å; I1842-L1858 HydrophobicContact CG1-CD2 4.03Å; A1845-L1858 HydrophobicContact CB-CD1 4.19Å; A1845-L1858 HydrophobicContact CB-CD2 3.96Å; A1845-L1858 HydrophobicContact CB-CG 3.92Å; M1855-L1858 PolarHBondContact O-N 3.34Å; M1855-L1858 VanDerWaalsContact O-N 3.16Å; A1856-L1858 VanDerWaalsContact C-N 3.29Å; A1856-L1858 PolarHBondContact O-N 3.15Å; L1858-K1862 WeakPolarHBondContact O-CB 3.37Å; L1858-K1862 PolarHBondContact O-N 3.19Å |
| 1859 | D | 79.1 | Confident | 82.5 | Confident | 81 Ų | 81 | 41.2 Ų | 41.2 | 43% | 0.433 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.2 | -39.1 | -179.3 | -71.9 | -20.7 | 0 | 0 | 0 | 112.1 | M1855 A1856 T1863 | M1855-D1859 WeakPolarHBondContact O-CB 3.34Å; M1855-D1859 PolarHBondContact O-N 3.31Å; A1856-D1859 PolarHBondContact O-N 3.22Å; D1859-T1863 WeakPolarHBondContact O-CB 3.41Å; D1859-T1863 PolarHBondContact O-N 3.34Å; D1859-T1863 PolarHBondContact O-OG1 2.94Å |
| 1860 | Q | 85.2 | Confident | 82.9 | Confident | 29 Ų | 29 | 35 Ų | 35 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.6 | -45 | 175.4 | -70.6 | 167.5 | -11.7 | 0 | 0 | 111.4 | A1856 K1862 T1863 V1864 L1905 T1908 | A1856-Q1860 WeakPolarHBondContact O-CB 3.23Å; A1856-Q1860 WeakPolarHBondContact O-CG 3.19Å; A1856-Q1860 PolarHBondContact O-N 2.96Å; A1856-Q1860 PolarHBondContact O-OE1 2.97Å; Q1860-K1862 VanDerWaalsContact C-N 3.28Å; Q1860-K1862 PolarHBondContact O-N 3.11Å; Q1860-T1863 WeakPolarHBondContact O-CA 3.32Å; Q1860-T1863 WeakPolarHBondContact O-CB 3.5Å; Q1860-T1863 PolarHBondContact O-N 3.06Å; Q1860-V1864 WeakPolarHBondContact O-CG2 3.35Å; Q1860-V1864 PolarHBondContact O-N 2.99Å; Q1860-L1905 HydrophobicContact CB-CB 4.38Å; Q1860-L1905 HydrophobicContact CB-CD1 4.08Å; Q1860-T1908 PolarHBondContact NE2-OG1 3.23Å; Q1860-T1908 VanDerWaalsContact OE1-CB 3.31Å; Q1860-T1908 PolarHBondContact OE1-OG1 3.46Å; Q1860-T1908 VanDerWaalsContact OE1-OG1 3.12Å |
| 1861 | C | 89.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | 175.5 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | L1771 C1841 F1857 V1864 I1865 | L1771-C1861 HydrophobicContact CD1-CB 4.15Å; L1771-C1861 HydrophobicContact CD2-CB 4.45Å; C1841-C1861 HydrophobicContact CB-CB 4Å; F1857-C1861 WeakPolarHBondContact O-CB 3.45Å; F1857-C1861 PolarHBondContact O-N 3.29Å; F1857-C1861 VanDerWaalsContact O-N 3.14Å; C1861-V1864 PolarHBondContact O-N 3.27Å; C1861-I1865 PolarHBondContact O-N 2.99Å; C1861-I1865 VanDerWaalsContact O-N 3.1Å |
| 1862 | K | 85.2 | Confident | 84.3 | Confident | 27 Ų | 27 | 27.6 Ų | 27.6 | 12% | 0.117 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 171.7 | -178.4 | 173.4 | -178.2 | 166 | 0 | 111.8 | L1771 D1772 L1858 Q1860 V1864 I1865 E1866 | L1771-K1862 HydrophobicContact CD1-CB 4.03Å; D1772-K1862 IonicContact OD1-NZ 2.81Å; D1772-K1862 PolarHBondContact OD1-NZ 3.44Å; D1772-K1862 IonicContact OD2-NZ 2.62Å; D1772-K1862 PolarHBondContact OD2-NZ 2.83Å; L1858-K1862 WeakPolarHBondContact O-CB 3.37Å; L1858-K1862 PolarHBondContact O-N 3.19Å; Q1860-K1862 VanDerWaalsContact C-N 3.28Å; Q1860-K1862 PolarHBondContact O-N 3.11Å; K1862-V1864 PolarHBondContact O-N 3.32Å; K1862-I1865 PolarHBondContact O-N 2.95Å; K1862-E1866 WeakPolarHBondContact CE-OE1 3.34Å; K1862-E1866 HydrophobicContact CG-CG 4.45Å; K1862-E1866 WeakPolarHBondContact O-CG 3.49Å; K1862-E1866 PolarHBondContact O-N 2.94Å |
| 1863 | T | 78.5 | Confident | 85 | Confident | 36 Ų | 36 | 24.3 Ų | 24.3 | 22% | 0.221 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 178 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | D1859 Q1860 I1865 E1866 C1867 A1901 | D1859-T1863 WeakPolarHBondContact O-CB 3.41Å; D1859-T1863 PolarHBondContact O-N 3.34Å; D1859-T1863 PolarHBondContact O-OG1 2.94Å; Q1860-T1863 WeakPolarHBondContact O-CA 3.32Å; Q1860-T1863 WeakPolarHBondContact O-CB 3.5Å; Q1860-T1863 PolarHBondContact O-N 3.06Å; T1863-I1865 PolarHBondContact O-N 2.98Å; T1863-E1866 PolarHBondContact O-N 3.48Å; T1863-C1867 PolarHBondContact O-N 3.34Å; T1863-C1867 PolarHBondContact O-SG 3.05Å; T1863-C1867 VanDerWaalsContact O-SG 3.34Å; T1863-A1901 HydrophobicContact CG2-CB 4.08Å |
| 1864 | V | 87.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | F1834 Q1860 C1861 K1862 C1867 Q1868 L1898 A1901 I1902 L1905 | F1834-V1864 HydrophobicContact CE1-CG1 3.99Å; F1834-V1864 HydrophobicContact CZ-CG1 4.4Å; Q1860-V1864 WeakPolarHBondContact O-CG2 3.35Å; Q1860-V1864 PolarHBondContact O-N 2.99Å; C1861-V1864 PolarHBondContact O-N 3.27Å; K1862-V1864 PolarHBondContact O-N 3.32Å; V1864-C1867 PolarHBondContact O-N 2.99Å; V1864-Q1868 PolarHBondContact O-N 2.74Å; V1864-L1898 HydrophobicContact CG1-CD1 3.93Å; V1864-L1898 WeakPolarHBondContact O-CD1 3.48Å; V1864-A1901 HydrophobicContact CG2-CB 3.9Å; V1864-A1901 WeakPolarHBondContact CG2-O 3.39Å; V1864-I1902 HydrophobicContact CG1-CD1 4.48Å; V1864-I1902 HydrophobicContact CG1-CG1 3.77Å; V1864-I1902 HydrophobicContact CG2-CG1 4.16Å; V1864-L1905 HydrophobicContact CG2-CD2 4.39Å |
| 1865 | I | 88.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.2 | -39.9 | 175.1 | -70.1 | 159.7 | 0 | 0 | 0 | 111.9 | M1764 L1767 I1768 L1771 F1834 C1861 K1862 T1863 Q1868 L1869 | M1764-I1865 HydrophobicContact CB-CG2 4.37Å; M1764-I1865 HydrophobicContact SD-CG1 4.41Å; M1764-I1865 HydrophobicContact SD-CG2 3.72Å; L1767-I1865 HydrophobicContact CB-CD1 4.17Å; I1768-I1865 HydrophobicContact CD1-CG2 3.93Å; I1768-I1865 HydrophobicContact CG1-CB 4.42Å; I1768-I1865 HydrophobicContact CG1-CG2 3.46Å; I1768-I1865 VanDerWaalsContact CG1-CG2 3.46Å; L1771-I1865 HydrophobicContact CD1-CD1 3.58Å; F1834-I1865 HydrophobicContact CD1-CG1 3.61Å; F1834-I1865 HydrophobicContact CE1-CG1 3.84Å; C1861-I1865 PolarHBondContact O-N 2.99Å; C1861-I1865 VanDerWaalsContact O-N 3.1Å; K1862-I1865 PolarHBondContact O-N 2.95Å; T1863-I1865 PolarHBondContact O-N 2.98Å; I1865-Q1868 PolarHBondContact O-N 3.46Å; I1865-L1869 WeakPolarHBondContact O-CB 3.36Å; I1865-L1869 PolarHBondContact O-N 3.29Å |
| 1866 | E | 82.4 | Confident | 86.1 | Confident | 31 Ų | 31 | 22.2 Ų | 22.2 | 15% | 0.145 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.7 | -74.6 | -172.1 | -170 | 0 | 0 | 112.1 | I1768 K1862 T1863 L1869 Q1870 | I1768-E1866 HydrophobicContact CD1-CG 4.31Å; K1862-E1866 WeakPolarHBondContact CE-OE1 3.34Å; K1862-E1866 HydrophobicContact CG-CG 4.45Å; K1862-E1866 WeakPolarHBondContact O-CG 3.49Å; K1862-E1866 PolarHBondContact O-N 2.94Å; T1863-E1866 PolarHBondContact O-N 3.48Å; E1866-L1869 PolarHBondContact O-N 3.35Å; E1866-Q1870 WeakPolarHBondContact O-CG 3.32Å; E1866-Q1870 PolarHBondContact O-N 2.95Å |
| 1867 | C | 84.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 173.4 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | G380 T1863 V1864 L1869 Q1870 L1871 L1898 | G380-C1867 WeakPolarHBondContact CA-SG 3.28Å; T1863-C1867 PolarHBondContact O-N 3.34Å; T1863-C1867 PolarHBondContact O-SG 3.05Å; T1863-C1867 VanDerWaalsContact O-SG 3.34Å; V1864-C1867 PolarHBondContact O-N 2.99Å; C1867-L1869 VanDerWaalsContact C-N 3.32Å; C1867-L1869 PolarHBondContact O-N 3.01Å; C1867-Q1870 WeakPolarHBondContact O-CB 3.44Å; C1867-Q1870 PolarHBondContact O-N 3.05Å; C1867-L1871 PolarHBondContact O-N 3.09Å; C1867-L1898 HydrophobicContact CB-CB 3.78Å; C1867-L1898 HydrophobicContact CB-CD1 3.78Å; C1867-L1898 HydrophobicContact CB-CG 4.38Å |
| 1868 | Q | 89.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 175.5 | 179.4 | 62.7 | 43.6 | 0 | 0 | 111.5 | M1764 M1831 F1834 V1864 I1865 Q1870 L1871 L1872 L1898 | M1764-Q1868 HydrophobicContact CE-CB 4.24Å; M1764-Q1868 HydrophobicContact CE-CG 3.5Å; M1764-Q1868 VanDerWaalsContact CE-CG 3.5Å; M1831-Q1868 HydrophobicContact CE-CG 4.04Å; F1834-Q1868 HydrophobicContact CE1-CB 4.04Å; F1834-Q1868 HydrophobicContact CE1-CG 4.33Å; F1834-Q1868 HydrophobicContact CE2-CB 4.25Å; F1834-Q1868 HydrophobicContact CE2-CG 3.73Å; F1834-Q1868 HydrophobicContact CZ-CB 3.54Å; F1834-Q1868 HydrophobicContact CZ-CG 3.56Å; V1864-Q1868 PolarHBondContact O-N 2.74Å; I1865-Q1868 PolarHBondContact O-N 3.46Å; Q1868-Q1870 VanDerWaalsContact C-N 3.34Å; Q1868-L1871 PolarHBondContact O-N 3.22Å; Q1868-L1872 HydrophobicContact CG-CD1 4.38Å; Q1868-L1872 WeakPolarHBondContact O-CG 3.29Å; Q1868-L1872 PolarHBondContact O-N 3.24Å; Q1868-L1898 HydrophobicContact CB-CD1 4.24Å; Q1868-L1898 HydrophobicContact CB-CD2 4.36Å |
| 1869 | L | 87.8 | Confident | 86.1 | Confident | 19 Ų | 19 | 26.6 Ų | 26.6 | 10% | 0.099 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.3 | -38.5 | 175.1 | -177.5 | 63.2 | 0 | 0 | 0 | 111.5 | I1761 M1764 I1768 I1865 E1866 C1867 L1872 Y1873 | I1761-L1869 HydrophobicContact CB-CD1 4.28Å; I1761-L1869 HydrophobicContact CG1-CD1 4Å; I1761-L1869 HydrophobicContact CG2-CD1 4.07Å; M1764-L1869 HydrophobicContact CB-CD1 4.26Å; I1768-L1869 HydrophobicContact CD1-CD2 4.17Å; I1865-L1869 WeakPolarHBondContact O-CB 3.36Å; I1865-L1869 PolarHBondContact O-N 3.29Å; E1866-L1869 PolarHBondContact O-N 3.35Å; C1867-L1869 VanDerWaalsContact C-N 3.32Å; C1867-L1869 PolarHBondContact O-N 3.01Å; L1869-L1872 PolarHBondContact O-N 3.36Å; L1869-Y1873 HydrophobicContact CD1-CE2 3.89Å; L1869-Y1873 HydrophobicContact CD2-CE2 4.16Å; L1869-Y1873 HydrophobicContact CG-CD2 4.24Å; L1869-Y1873 HydrophobicContact CG-CE2 3.62Å; L1869-Y1873 WeakPolarHBondContact O-CD2 3.43Å; L1869-Y1873 PolarHBondContact O-N 3.15Å |
| 1870 | Q | 84.2 | Confident | 86.2 | Confident | 50 Ų | 50 | 22.8 Ų | 22.8 | 23% | 0.234 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 171 | -71.8 | 173.4 | -81.4 | 0 | 0 | 112.4 | K379 E1866 C1867 Q1868 L1872 Y1873 A1874 | K379-Q1870 HydrophobicContact CB-CG 4.43Å; K379-Q1870 PolarHBondContact O-NE2 3.33Å; K379-Q1870 PolarHBondContact O-OE1 3.48Å; K379-Q1870 VanDerWaalsContact O-OE1 3.05Å; E1866-Q1870 WeakPolarHBondContact O-CG 3.32Å; E1866-Q1870 PolarHBondContact O-N 2.95Å; C1867-Q1870 WeakPolarHBondContact O-CB 3.44Å; C1867-Q1870 PolarHBondContact O-N 3.05Å; Q1868-Q1870 VanDerWaalsContact C-N 3.34Å; Q1870-L1872 VanDerWaalsContact C-N 3.31Å; Q1870-L1872 PolarHBondContact O-N 3.49Å; Q1870-Y1873 PolarHBondContact O-N 3.13Å; Q1870-A1874 WeakPolarHBondContact O-CB 3.33Å; Q1870-A1874 PolarHBondContact O-N 3.21Å |
| 1871 | L | 89.3 | Confident | 86 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.9 | -35.9 | 176.2 | -177.9 | 59.1 | 0 | 0 | 0 | 111.8 | V1809 L1812 C1867 Q1868 T1875 V1891 L1898 | V1809-L1871 HydrophobicContact CG1-CD2 4.08Å; L1812-L1871 HydrophobicContact CD2-CD2 3.87Å; L1812-L1871 HydrophobicContact CD2-CG 4.01Å; C1867-L1871 PolarHBondContact O-N 3.09Å; Q1868-L1871 PolarHBondContact O-N 3.22Å; L1871-T1875 WeakPolarHBondContact O-CB 3.46Å; L1871-T1875 PolarHBondContact O-N 3.3Å; L1871-T1875 PolarHBondContact O-OG1 3.45Å; L1871-V1891 HydrophobicContact CD1-CG1 4.24Å; L1871-L1898 HydrophobicContact CD2-CD2 3.72Å |
| 1872 | L | 89.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 172.5 | -73.7 | 170.2 | 0 | 0 | 0 | 112 | A1760 I1761 M1764 V1827 M1831 Q1868 L1869 Q1870 T1875 K1876 | A1760-L1872 HydrophobicContact CB-CD1 3.8Å; A1760-L1872 HydrophobicContact CB-CD2 4.08Å; I1761-L1872 HydrophobicContact CG1-CB 4.15Å; I1761-L1872 HydrophobicContact CG1-CD1 4.4Å; M1764-L1872 HydrophobicContact CG-CD1 4.15Å; V1827-L1872 HydrophobicContact CG1-CD2 3.97Å; V1827-L1872 HydrophobicContact CG2-CD2 4.03Å; M1831-L1872 HydrophobicContact CE-CD1 4.25Å; M1831-L1872 HydrophobicContact SD-CD1 4.43Å; Q1868-L1872 HydrophobicContact CG-CD1 4.38Å; Q1868-L1872 WeakPolarHBondContact O-CG 3.29Å; Q1868-L1872 PolarHBondContact O-N 3.24Å; L1869-L1872 PolarHBondContact O-N 3.36Å; Q1870-L1872 VanDerWaalsContact C-N 3.31Å; Q1870-L1872 PolarHBondContact O-N 3.49Å; L1872-T1875 PolarHBondContact O-N 3.16Å; L1872-K1876 VanDerWaalsContact O-CB 3.29Å; L1872-K1876 WeakPolarHBondContact O-CB 3.47Å; L1872-K1876 PolarHBondContact O-N 3.18Å |
| 1873 | Y | 88.9 | Confident | 85.2 | Confident | 102 Ų | 102 | 30.8 Ų | 30.8 | 40% | 0.4 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.1 | -48 | 173.2 | -68.4 | -49 | 0 | 0 | 0 | 111.7 | I1761 L1869 Q1870 T1875 K1876 D1877 | I1761-Y1873 HydrophobicContact CD1-CD1 3.89Å; I1761-Y1873 HydrophobicContact CD1-CE1 3.75Å; I1761-Y1873 HydrophobicContact CG1-CE1 4.18Å; I1761-Y1873 HydrophobicContact CG2-CE1 4.18Å; L1869-Y1873 HydrophobicContact CD1-CE2 3.89Å; L1869-Y1873 HydrophobicContact CD2-CE2 4.16Å; L1869-Y1873 HydrophobicContact CG-CD2 4.24Å; L1869-Y1873 HydrophobicContact CG-CE2 3.62Å; L1869-Y1873 WeakPolarHBondContact O-CD2 3.43Å; L1869-Y1873 PolarHBondContact O-N 3.15Å; Q1870-Y1873 PolarHBondContact O-N 3.13Å; Y1873-T1875 VanDerWaalsContact C-N 3.31Å; Y1873-T1875 PolarHBondContact O-N 3.49Å; Y1873-K1876 WeakPolarHBondContact O-CB 3.46Å; Y1873-K1876 PolarHBondContact O-N 2.57Å; Y1873-K1876 VanDerWaalsContact O-N 3.13Å; Y1873-D1877 WeakPolarHBondContact O-CB 3.46Å; Y1873-D1877 PolarHBondContact O-N 3.42Å |
| 1874 | A | 87.8 | Confident | 85.2 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -37.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1870 S1878 V1891 | Q1870-A1874 WeakPolarHBondContact O-CB 3.33Å; Q1870-A1874 PolarHBondContact O-N 3.21Å; A1874-S1878 WeakPolarHBondContact O-CB 3.26Å; A1874-S1878 PolarHBondContact O-N 2.98Å; A1874-S1878 PolarHBondContact O-OG 3.46Å; A1874-V1891 HydrophobicContact CB-CG2 4.01Å |
| 1875 | T | 88.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.2 | -38 | 173.6 | -60 | 0 | 0 | 0 | 0 | 112.1 | L1812 A1816 I1823 L1871 L1872 Y1873 S1878 A1879 | L1812-T1875 HydrophobicContact CD1-CG2 4.1Å; A1816-T1875 HydrophobicContact CB-CG2 3.83Å; I1823-T1875 HydrophobicContact CD1-CG2 4.26Å; I1823-T1875 HydrophobicContact CG1-CG2 4.49Å; I1823-T1875 HydrophobicContact CG2-CG2 3.81Å; L1871-T1875 WeakPolarHBondContact O-CB 3.46Å; L1871-T1875 PolarHBondContact O-N 3.3Å; L1871-T1875 PolarHBondContact O-OG1 3.45Å; L1872-T1875 PolarHBondContact O-N 3.16Å; Y1873-T1875 VanDerWaalsContact C-N 3.31Å; Y1873-T1875 PolarHBondContact O-N 3.49Å; T1875-S1878 PolarHBondContact O-OG 3.17Å; T1875-A1879 WeakPolarHBondContact O-CA 3.44Å; T1875-A1879 PolarHBondContact O-N 3.37Å |
| 1876 | K | 87.8 | Confident | 84.4 | Confident | 58 Ų | 58 | 45.5 Ų | 45.5 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 176 | -173.3 | 178.9 | -177 | 172.6 | 0 | 111.3 | Q1754 D1758 I1761 L1872 Y1873 | Q1754-K1876 PolarHBondContact NE2-O 3.34Å; D1758-K1876 IonicContact OD1-NZ 2.62Å; D1758-K1876 PolarHBondContact OD1-NZ 2.86Å; D1758-K1876 IonicContact OD2-NZ 2.96Å; D1758-K1876 PolarHBondContact OD2-NZ 3.2Å; I1761-K1876 HydrophobicContact CD1-CD 4.39Å; L1872-K1876 VanDerWaalsContact O-CB 3.29Å; L1872-K1876 WeakPolarHBondContact O-CB 3.47Å; L1872-K1876 PolarHBondContact O-N 3.18Å; Y1873-K1876 WeakPolarHBondContact O-CB 3.46Å; Y1873-K1876 PolarHBondContact O-N 2.57Å; Y1873-K1876 VanDerWaalsContact O-N 3.13Å |
| 1877 | D | 86.2 | Confident | 84.5 | Confident | 100 Ų | 100 | 48 Ų | 48 | 54% | 0.535 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72.1 | -38.8 | -179.9 | -69.9 | -18.8 | 0 | 0 | 0 | 112.3 | Y1873 F1887 | Y1873-D1877 WeakPolarHBondContact O-CB 3.46Å; Y1873-D1877 PolarHBondContact O-N 3.42Å; D1877-F1887 HydrophobicContact CB-CD1 3.85Å; D1877-F1887 HydrophobicContact CB-CE1 3.92Å; D1877-F1887 HydrophobicContact CB-CG 4.38Å |
| 1878 | S | 85.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -76.2 | -29.8 | 174.7 | 73.5 | 0 | 0 | 0 | 0 | 112.9 | A1816 A1874 T1875 G1880 N1881 | A1816-S1878 VanDerWaalsContact O-CB 3.32Å; A1816-S1878 WeakPolarHBondContact O-CB 3.44Å; A1816-S1878 PolarHBondContact O-OG 3.31Å; A1874-S1878 WeakPolarHBondContact O-CB 3.26Å; A1874-S1878 PolarHBondContact O-N 2.98Å; A1874-S1878 PolarHBondContact O-OG 3.46Å; T1875-S1878 PolarHBondContact O-OG 3.17Å; S1878-G1880 PolarHBondContact O-N 2.73Å; S1878-N1881 WeakPolarHBondContact O-CB 3.22Å; S1878-N1881 PolarHBondContact O-N 3.49Å |
| 1879 | A | 81.8 | Confident | 84.4 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 9.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117 | F1470 A1820 I1823 T1875 | F1470-A1879 HydrophobicContact CE2-CB 4.49Å; F1470-A1879 VanDerWaalsContact CE2-O 3.24Å; F1470-A1879 WeakPolarHBondContact CE2-O 3.47Å; F1470-A1879 HydrophobicContact CZ-CB 3.89Å; A1820-A1879 WeakPolarHBondContact CB-O 3.48Å; I1823-A1879 VanDerWaalsContact CD1-C 3.43Å; I1823-A1879 WeakPolarHBondContact CD1-O 3.44Å; T1875-A1879 WeakPolarHBondContact O-CA 3.44Å; T1875-A1879 PolarHBondContact O-N 3.37Å |
| 1880 | G | 80.2 | Confident | 84.2 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 14.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114 | A1815 A1816 R1818 S1878 P1882 | A1815-G1880 WeakPolarHBondContact O-CA 3.38Å; A1816-G1880 VanDerWaalsContact O-CA 3.28Å; A1816-G1880 WeakPolarHBondContact O-CA 3.19Å; A1816-G1880 PolarHBondContact O-N 3.44Å; A1816-G1880 VanDerWaalsContact O-N 3.09Å; R1818-G1880 CarbonylContact C-O 3.57Å; S1878-G1880 PolarHBondContact O-N 2.73Å; G1880-P1882 WeakPolarHBondContact O-CD 3.24Å |
| 1881 | N | 81.8 | Confident | 84.3 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | trans | -86.9 | 116 | -176.5 | -175.6 | -2.2 | 0 | 0 | 0 | 111.9 | F1470 K1817 S1878 K1883 A1884 H1888 | F1470-N1881 HydrophobicContact CD1-CB 4.15Å; F1470-N1881 HydrophobicContact CD2-CB 3.83Å; F1470-N1881 HydrophobicContact CE1-CB 4.1Å; F1470-N1881 HydrophobicContact CE2-CB 3.78Å; F1470-N1881 HydrophobicContact CG-CB 4.03Å; F1470-N1881 HydrophobicContact CZ-CB 3.92Å; K1817-N1881 CarbonylContact O-C 3.28Å; S1878-N1881 WeakPolarHBondContact O-CB 3.22Å; S1878-N1881 PolarHBondContact O-N 3.49Å; N1881-K1883 PolarHBondContact O-N 3.27Å; N1881-K1883 WeakPolarHBondContact OD1-CB 3.49Å; N1881-K1883 PolarHBondContact OD1-N 3.35Å; N1881-A1884 HydrophobicContact CB-CB 3.95Å; N1881-A1884 WeakPolarHBondContact O-CB 3.34Å; N1881-A1884 PolarHBondContact O-N 2.81Å; N1881-A1884 VanDerWaalsContact O-N 3.12Å; N1881-H1888 PolarHBondContact O-NE2 2.83Å; N1881-H1888 VanDerWaalsContact O-NE2 3.08Å | ||
| 1882 | P | 78.9 | Confident | 84.1 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.6 | 177.8 | 27.1 | -34.9 | 0 | 0 | 0 | 113.4 | K1817 G1880 | K1817-P1882 WeakPolarHBondContact O-CA 3.33Å; G1880-P1882 WeakPolarHBondContact O-CD 3.24Å |
| 1883 | K | 78.9 | Confident | 83.6 | Confident | 140 Ų | 140 | 59.2 Ų | 59.2 | 61% | 0.609 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -6.8 | 177.1 | -61.6 | 177.5 | 175.3 | 173.8 | 0 | 113.7 | D1474 N1881 E1885 | D1474-K1883 IonicContact OD1-NZ 2.82Å; D1474-K1883 WeakPolarHBondContact OD2-CE 3.13Å; D1474-K1883 IonicContact OD2-NZ 2.81Å; D1474-K1883 PolarHBondContact OD2-NZ 3.45Å; N1881-K1883 PolarHBondContact O-N 3.27Å; N1881-K1883 WeakPolarHBondContact OD1-CB 3.49Å; N1881-K1883 PolarHBondContact OD1-N 3.35Å; K1883-E1885 VanDerWaalsContact C-N 3.27Å; K1883-E1885 PolarHBondContact O-N 3.23Å |
| 1884 | A | 78.9 | Confident | 83.3 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 13% | 0.132 | 29% | 0.288 | C | S | . | . | trans | -89.6 | 44.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | N1881 E1886 F1887 H1888 | N1881-A1884 HydrophobicContact CB-CB 3.95Å; N1881-A1884 WeakPolarHBondContact O-CB 3.34Å; N1881-A1884 PolarHBondContact O-N 2.81Å; N1881-A1884 VanDerWaalsContact O-N 3.12Å; A1884-E1886 PolarHBondContact O-N 2.96Å; A1884-E1886 VanDerWaalsContact O-N 3.09Å; A1884-F1887 HydrophobicContact CB-CD2 4.34Å; A1884-F1887 PolarHBondContact O-N 3.05Å; A1884-H1888 PolarHBondContact O-CD2 3.04Å | ||
| 1885 | E | 80 | Confident | 83.2 | Confident | 150 Ų | 150 | 54.7 Ų | 54.7 | 70% | 0.701 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -54.5 | -32.8 | -171.2 | -63.8 | -174.5 | 170.8 | 0 | 0 | 113.7 | K1883 F1887 H1888 | K1883-E1885 VanDerWaalsContact C-N 3.27Å; K1883-E1885 PolarHBondContact O-N 3.23Å; E1885-F1887 PolarHBondContact O-N 3.12Å; E1885-H1888 WeakPolarHBondContact O-CB 3.42Å; E1885-H1888 PolarHBondContact O-N 3.33Å; E1885-H1888 VanDerWaalsContact O-N 3.09Å |
| 1886 | E | 80.4 | Confident | 83 | Confident | 178 Ų | 178 | 60.3 Ų | 60.3 | 83% | 0.832 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -56.8 | -33.6 | 177.3 | -62.3 | -174.3 | 172.2 | 0 | 0 | 113 | A1884 | A1884-E1886 PolarHBondContact O-N 2.96Å; A1884-E1886 VanDerWaalsContact O-N 3.09Å |
| 1887 | F | 83.4 | Confident | 82.4 | Confident | 83 Ų | 83 | 57.9 Ų | 57.9 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -89.1 | -18.7 | 178.6 | -63.5 | -79.6 | 0 | 0 | 0 | 113.1 | D1877 A1884 E1885 A1889 S1890 V1891 | D1877-F1887 HydrophobicContact CB-CD1 3.85Å; D1877-F1887 HydrophobicContact CB-CE1 3.92Å; D1877-F1887 HydrophobicContact CB-CG 4.38Å; A1884-F1887 HydrophobicContact CB-CD2 4.34Å; A1884-F1887 PolarHBondContact O-N 3.05Å; E1885-F1887 PolarHBondContact O-N 3.12Å; F1887-A1889 VanDerWaalsContact C-N 3.28Å; F1887-A1889 PolarHBondContact O-N 3.32Å; F1887-S1890 WeakPolarHBondContact O-CA 3.46Å; F1887-S1890 WeakPolarHBondContact O-CB 3.47Å; F1887-S1890 PolarHBondContact O-N 3.41Å; F1887-V1891 WeakPolarHBondContact O-CG2 3.38Å; F1887-V1891 PolarHBondContact O-N 3.31Å |
| 1888 | H | 87.5 | Confident | 82.5 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 15% | 0.148 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -38.2 | -177.2 | -68.4 | -172.1 | 0 | 0 | 0 | 111.8 | K1817 N1881 A1884 E1885 S1890 V1891 D1892 | K1817-H1888 HydrophobicContact CD-CB 4.5Å; K1817-H1888 HydrophobicContact CG-CB 4.3Å; N1881-H1888 PolarHBondContact O-NE2 2.83Å; N1881-H1888 VanDerWaalsContact O-NE2 3.08Å; A1884-H1888 PolarHBondContact O-CD2 3.04Å; E1885-H1888 WeakPolarHBondContact O-CB 3.42Å; E1885-H1888 PolarHBondContact O-N 3.33Å; E1885-H1888 VanDerWaalsContact O-N 3.09Å; H1888-S1890 VanDerWaalsContact C-N 3.29Å; H1888-S1890 PolarHBondContact O-N 3.29Å; H1888-V1891 PolarHBondContact O-N 3.09Å; H1888-D1892 PolarHBondContact O-N 2.72Å |
| 1889 | A | 84.3 | Confident | 82.5 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -32.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1887 D1892 E1893 | F1887-A1889 VanDerWaalsContact C-N 3.28Å; F1887-A1889 PolarHBondContact O-N 3.32Å; A1889-D1892 PolarHBondContact O-N 3.04Å; A1889-E1893 WeakPolarHBondContact O-CB 3.21Å; A1889-E1893 PolarHBondContact O-N 2.93Å |
| 1890 | S | 83.8 | Confident | 82.3 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -74.6 | -35.3 | 176 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | F1887 H1888 D1892 S1894 | F1887-S1890 WeakPolarHBondContact O-CA 3.46Å; F1887-S1890 WeakPolarHBondContact O-CB 3.47Å; F1887-S1890 PolarHBondContact O-N 3.41Å; H1888-S1890 VanDerWaalsContact C-N 3.29Å; H1888-S1890 PolarHBondContact O-N 3.29Å; S1890-D1892 VanDerWaalsContact C-N 3.34Å; S1890-S1894 WeakPolarHBondContact O-CB 3.49Å; S1890-S1894 PolarHBondContact O-N 2.97Å; S1890-S1894 PolarHBondContact O-OG 3.35Å |
| 1891 | V | 85.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 169.9 | 176.8 | 0 | 0 | 0 | 0 | 111 | Q1813 A1816 L1871 A1874 F1887 H1888 G1895 | Q1813-V1891 HydrophobicContact CB-CG1 4.13Å; Q1813-V1891 HydrophobicContact CG-CG1 4.09Å; Q1813-V1891 PolarHBondContact NE2-O 3.44Å; A1816-V1891 HydrophobicContact CB-CG1 3.89Å; A1816-V1891 HydrophobicContact CB-CG2 4.33Å; L1871-V1891 HydrophobicContact CD1-CG1 4.24Å; A1874-V1891 HydrophobicContact CB-CG2 4.01Å; F1887-V1891 WeakPolarHBondContact O-CG2 3.38Å; F1887-V1891 PolarHBondContact O-N 3.31Å; H1888-V1891 PolarHBondContact O-N 3.09Å; V1891-G1895 PolarHBondContact O-N 2.79Å |
| 1892 | D | 86.3 | Confident | 82.6 | Confident | 65 Ų | 65 | 57 Ų | 57 | 35% | 0.348 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.6 | -50.9 | 176.5 | -73.9 | -27 | 0 | 0 | 0 | 112.2 | Q1813 K1817 H1888 A1889 S1890 S1894 G1895 Q1896 | Q1813-D1892 PolarHBondContact NE2-O 3.06Å; K1817-D1892 WeakPolarHBondContact CE-OD1 3.32Å; K1817-D1892 WeakPolarHBondContact CE-OD2 3.41Å; K1817-D1892 IonicContact NZ-OD1 2.65Å; K1817-D1892 PolarHBondContact NZ-OD1 2.6Å; K1817-D1892 IonicContact NZ-OD2 3.77Å; K1817-D1892 PolarHBondContact NZ-OD2 3.17Å; H1888-D1892 PolarHBondContact O-N 2.72Å; A1889-D1892 PolarHBondContact O-N 3.04Å; S1890-D1892 VanDerWaalsContact C-N 3.34Å; D1892-S1894 VanDerWaalsContact C-N 3.32Å; D1892-S1894 PolarHBondContact O-N 3.45Å; D1892-G1895 PolarHBondContact O-N 3.32Å; D1892-Q1896 WeakPolarHBondContact O-CB 3.33Å; D1892-Q1896 PolarHBondContact O-N 3.29Å |
| 1893 | E | 79.7 | Confident | 82.8 | Confident | 91 Ų | 91 | 58.9 Ų | 58.9 | 43% | 0.425 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 178.7 | -176.1 | 170.9 | -162.4 | 0 | 0 | 112 | K381 A1889 S1897 | K381-E1893 IonicContact NZ-OE1 2.87Å; K381-E1893 PolarHBondContact NZ-OE1 2.92Å; A1889-E1893 WeakPolarHBondContact O-CB 3.21Å; A1889-E1893 PolarHBondContact O-N 2.93Å; E1893-S1897 VanDerWaalsContact O-CB 3.31Å; E1893-S1897 WeakPolarHBondContact O-CB 3.32Å; E1893-S1897 PolarHBondContact O-N 3.29Å; E1893-S1897 PolarHBondContact O-OG 2.85Å |
| 1894 | S | 81.6 | Confident | 82.8 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 8% | 0.077 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.9 | -43.1 | 178.7 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | S1890 D1892 S1897 L1898 | S1890-S1894 WeakPolarHBondContact O-CB 3.49Å; S1890-S1894 PolarHBondContact O-N 2.97Å; S1890-S1894 PolarHBondContact O-OG 3.35Å; D1892-S1894 VanDerWaalsContact C-N 3.32Å; D1892-S1894 PolarHBondContact O-N 3.45Å; S1894-S1897 PolarHBondContact O-N 3.21Å; S1894-L1898 WeakPolarHBondContact O-CB 3.38Å; S1894-L1898 PolarHBondContact O-N 3.26Å |
| 1895 | G | 85.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.8 | -35 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | V1891 D1892 T1899 | V1891-G1895 PolarHBondContact O-N 2.79Å; D1892-G1895 PolarHBondContact O-N 3.32Å; G1895-T1899 PolarHBondContact O-N 2.6Å; G1895-T1899 PolarHBondContact O-OG1 2.91Å |
| 1896 | Q | 84.1 | Confident | 83.4 | Confident | 119 Ų | 119 | 48.3 Ų | 48.3 | 56% | 0.556 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.6 | -46.5 | 170.3 | -177.2 | 177.5 | -16 | 0 | 0 | 111 | D1892 L1898 T1899 E1900 | D1892-Q1896 WeakPolarHBondContact O-CB 3.33Å; D1892-Q1896 PolarHBondContact O-N 3.29Å; Q1896-L1898 VanDerWaalsContact C-N 3.29Å; Q1896-L1898 PolarHBondContact O-N 2.93Å; Q1896-T1899 WeakPolarHBondContact O-CB 3.18Å; Q1896-T1899 PolarHBondContact O-N 3.4Å; Q1896-T1899 VanDerWaalsContact O-N 3.08Å; Q1896-E1900 HydrophobicContact CG-CG 4.45Å; Q1896-E1900 WeakPolarHBondContact CG-OE1 3.44Å; Q1896-E1900 PolarHBondContact NE2-OE1 2.89Å; Q1896-E1900 WeakPolarHBondContact O-CG 3.43Å; Q1896-E1900 PolarHBondContact O-N 3.41Å |
| 1897 | S | 75.8 | Confident | 83.4 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -34.7 | 179 | -53.5 | 0 | 0 | 0 | 0 | 112.3 | K381 E1893 S1894 A1901 | K381-S1897 WeakPolarHBondContact CE-OG 3.39Å; E1893-S1897 VanDerWaalsContact O-CB 3.31Å; E1893-S1897 WeakPolarHBondContact O-CB 3.32Å; E1893-S1897 PolarHBondContact O-N 3.29Å; E1893-S1897 PolarHBondContact O-OG 2.85Å; S1894-S1897 PolarHBondContact O-N 3.21Å; S1897-A1901 WeakPolarHBondContact O-CB 3.47Å; S1897-A1901 PolarHBondContact O-N 2.94Å |
| 1898 | L | 87.7 | Confident | 83.2 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 170.9 | 177.2 | 59 | 0 | 0 | 0 | 111.8 | V1809 V1864 C1867 Q1868 L1871 S1894 Q1896 A1901 I1902 | V1809-L1898 HydrophobicContact CG1-CD2 4.37Å; V1809-L1898 HydrophobicContact CG2-CD2 3.49Å; V1809-L1898 VanDerWaalsContact CG2-CD2 3.49Å; V1809-L1898 HydrophobicContact CG2-CG 4.09Å; V1864-L1898 HydrophobicContact CG1-CD1 3.93Å; V1864-L1898 WeakPolarHBondContact O-CD1 3.48Å; C1867-L1898 HydrophobicContact CB-CB 3.78Å; C1867-L1898 HydrophobicContact CB-CD1 3.78Å; C1867-L1898 HydrophobicContact CB-CG 4.38Å; Q1868-L1898 HydrophobicContact CB-CD1 4.24Å; Q1868-L1898 HydrophobicContact CB-CD2 4.36Å; L1871-L1898 HydrophobicContact CD2-CD2 3.72Å; S1894-L1898 WeakPolarHBondContact O-CB 3.38Å; S1894-L1898 PolarHBondContact O-N 3.26Å; Q1896-L1898 VanDerWaalsContact C-N 3.29Å; Q1896-L1898 PolarHBondContact O-N 2.93Å; L1898-A1901 PolarHBondContact O-N 3.4Å; L1898-I1902 HydrophobicContact CD1-CD1 3.91Å; L1898-I1902 HydrophobicContact CD1-CG1 4.18Å; L1898-I1902 HydrophobicContact CG-CD1 3.92Å; L1898-I1902 VanDerWaalsContact O-CG1 3.29Å; L1898-I1902 WeakPolarHBondContact O-CG1 3.46Å; L1898-I1902 PolarHBondContact O-N 3.43Å |
| 1899 | T | 85.6 | Confident | 83 | Confident | 46 Ų | 46 | 41.1 Ų | 41.1 | 28% | 0.282 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.4 | -41 | 177.9 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | G1895 Q1896 I1902 N1903 | G1895-T1899 PolarHBondContact O-N 2.6Å; G1895-T1899 PolarHBondContact O-OG1 2.91Å; Q1896-T1899 WeakPolarHBondContact O-CB 3.18Å; Q1896-T1899 PolarHBondContact O-N 3.4Å; Q1896-T1899 VanDerWaalsContact O-N 3.08Å; T1899-I1902 PolarHBondContact O-N 3.48Å; T1899-N1903 WeakPolarHBondContact O-CB 3.46Å; T1899-N1903 VanDerWaalsContact O-CG 3.3Å; T1899-N1903 PolarHBondContact O-N 2.77Å; T1899-N1903 PolarHBondContact O-ND2 3.37Å; T1899-N1903 VanDerWaalsContact O-ND2 3.09Å |
| 1900 | E | 78 | Confident | 82.5 | Confident | 86 Ų | 86 | 39 Ų | 39 | 40% | 0.402 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 173 | -72.3 | 171.9 | -170.8 | 0 | 0 | 111.5 | Q1896 I1902 N1903 E1904 | Q1896-E1900 HydrophobicContact CG-CG 4.45Å; Q1896-E1900 WeakPolarHBondContact CG-OE1 3.44Å; Q1896-E1900 PolarHBondContact NE2-OE1 2.89Å; Q1896-E1900 WeakPolarHBondContact O-CG 3.43Å; Q1896-E1900 PolarHBondContact O-N 3.41Å; E1900-I1902 PolarHBondContact O-N 2.89Å; E1900-N1903 PolarHBondContact O-N 3.27Å; E1900-E1904 PolarHBondContact O-N 2.85Å |
| 1901 | A | 80.6 | Confident | 82 | Confident | 6 Ų | 6 | 41 Ų | 41 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.4 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1863 V1864 S1897 L1898 N1903 E1904 L1905 | T1863-A1901 HydrophobicContact CG2-CB 4.08Å; V1864-A1901 HydrophobicContact CG2-CB 3.9Å; V1864-A1901 WeakPolarHBondContact CG2-O 3.39Å; S1897-A1901 WeakPolarHBondContact O-CB 3.47Å; S1897-A1901 PolarHBondContact O-N 2.94Å; L1898-A1901 PolarHBondContact O-N 3.4Å; A1901-N1903 VanDerWaalsContact C-N 3.34Å; A1901-E1904 PolarHBondContact O-N 2.9Å; A1901-L1905 PolarHBondContact O-N 3.32Å |
| 1902 | I | 88 | Confident | 81.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 173.9 | -69.7 | 166.8 | 0 | 0 | 0 | 110.3 | S1802 L1805 A1806 V1864 L1898 T1899 E1900 L1905 L1906 | S1802-I1902 WeakPolarHBondContact O-CG2 3.46Å; L1805-I1902 HydrophobicContact CB-CD1 3.95Å; A1806-I1902 HydrophobicContact CB-CG2 4.2Å; V1864-I1902 HydrophobicContact CG1-CD1 4.48Å; V1864-I1902 HydrophobicContact CG1-CG1 3.77Å; V1864-I1902 HydrophobicContact CG2-CG1 4.16Å; L1898-I1902 HydrophobicContact CD1-CD1 3.91Å; L1898-I1902 HydrophobicContact CD1-CG1 4.18Å; L1898-I1902 HydrophobicContact CG-CD1 3.92Å; L1898-I1902 VanDerWaalsContact O-CG1 3.29Å; L1898-I1902 WeakPolarHBondContact O-CG1 3.46Å; L1898-I1902 PolarHBondContact O-N 3.43Å; T1899-I1902 PolarHBondContact O-N 3.48Å; E1900-I1902 PolarHBondContact O-N 2.89Å; I1902-L1905 PolarHBondContact O-N 2.95Å; I1902-L1906 HydrophobicContact CG2-CD1 3.92Å; I1902-L1906 HydrophobicContact CG2-CG 4.31Å; I1902-L1906 WeakPolarHBondContact O-CB 3.35Å; I1902-L1906 WeakPolarHBondContact O-CG 3.44Å; I1902-L1906 PolarHBondContact O-N 2.96Å |
| 1903 | N | 82.6 | Confident | 80.6 | Confident | 87 Ų | 87 | 38.3 Ų | 38.3 | 47% | 0.465 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67 | -35.8 | 176.6 | -73.4 | -35.6 | 0 | 0 | 0 | 113 | T1899 E1900 A1901 L1905 L1906 Q1907 | T1899-N1903 WeakPolarHBondContact O-CB 3.46Å; T1899-N1903 VanDerWaalsContact O-CG 3.3Å; T1899-N1903 PolarHBondContact O-N 2.77Å; T1899-N1903 PolarHBondContact O-ND2 3.37Å; T1899-N1903 VanDerWaalsContact O-ND2 3.09Å; E1900-N1903 PolarHBondContact O-N 3.27Å; A1901-N1903 VanDerWaalsContact C-N 3.34Å; N1903-L1905 VanDerWaalsContact C-N 3.34Å; N1903-L1906 PolarHBondContact O-N 3.36Å; N1903-Q1907 WeakPolarHBondContact O-CB 3.48Å; N1903-Q1907 PolarHBondContact O-N 3.06Å |
| 1904 | E | 78.6 | Confident | 80 | Confident | 68 Ų | 68 | 34.6 Ų | 34.6 | 32% | 0.318 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 171.8 | -74.4 | -172.3 | -163.9 | 0 | 0 | 111.9 | N382 E1900 A1901 T1908 | N382-E1904 PolarHBondContact ND2-OE2 3.23Å; E1900-E1904 PolarHBondContact O-N 2.85Å; A1901-E1904 PolarHBondContact O-N 2.9Å; E1904-T1908 PolarHBondContact O-N 3.47Å; E1904-T1908 PolarHBondContact O-OG1 3.38Å |
| 1905 | L | 85.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.4 | -46.5 | 175.5 | -178.7 | 59.8 | 0 | 0 | 0 | 111.5 | I1798 L1837 F1857 Q1860 V1864 A1901 I1902 N1903 Q1907 T1908 V1909 | I1798-L1905 HydrophobicContact CG2-CD1 4.36Å; I1798-L1905 HydrophobicContact CG2-CD2 4.11Å; I1798-L1905 HydrophobicContact CG2-CG 4.17Å; L1837-L1905 HydrophobicContact CD1-CD2 4.32Å; F1857-L1905 HydrophobicContact CD1-CD1 4.23Å; Q1860-L1905 HydrophobicContact CB-CB 4.38Å; Q1860-L1905 HydrophobicContact CB-CD1 4.08Å; V1864-L1905 HydrophobicContact CG2-CD2 4.39Å; A1901-L1905 PolarHBondContact O-N 3.32Å; I1902-L1905 PolarHBondContact O-N 2.95Å; N1903-L1905 VanDerWaalsContact C-N 3.34Å; L1905-Q1907 VanDerWaalsContact C-N 3.33Å; L1905-Q1907 PolarHBondContact O-N 3.04Å; L1905-T1908 PolarHBondContact O-N 3.2Å; L1905-T1908 VanDerWaalsContact O-N 3.13Å; L1905-V1909 HydrophobicContact CD1-CG2 4.34Å; L1905-V1909 WeakPolarHBondContact O-CG2 3.35Å; L1905-V1909 PolarHBondContact O-N 3.43Å |
| 1906 | L | 85 | Confident | 78.4 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.5 | -38.6 | 176.2 | -75.8 | 172.3 | 0 | 0 | 0 | 112.3 | I1902 N1903 V1909 G1910 | I1902-L1906 HydrophobicContact CG2-CD1 3.92Å; I1902-L1906 HydrophobicContact CG2-CG 4.31Å; I1902-L1906 WeakPolarHBondContact O-CB 3.35Å; I1902-L1906 WeakPolarHBondContact O-CG 3.44Å; I1902-L1906 PolarHBondContact O-N 2.96Å; N1903-L1906 PolarHBondContact O-N 3.36Å; L1906-V1909 PolarHBondContact O-N 2.82Å; L1906-G1910 PolarHBondContact O-N 3.31Å |
| 1907 | Q | 80.6 | Confident | 77.3 | Confident | 121 Ų | 121 | 36 Ų | 36 | 57% | 0.565 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -61.3 | -45.7 | 173.1 | -179.8 | 179.1 | -16.3 | 0 | 0 | 111.1 | N1903 L1905 V1909 G1910 E1911 | N1903-Q1907 WeakPolarHBondContact O-CB 3.48Å; N1903-Q1907 PolarHBondContact O-N 3.06Å; L1905-Q1907 VanDerWaalsContact C-N 3.33Å; L1905-Q1907 PolarHBondContact O-N 3.04Å; Q1907-V1909 VanDerWaalsContact C-N 3.35Å; Q1907-V1909 PolarHBondContact O-N 3.15Å; Q1907-G1910 PolarHBondContact O-N 2.84Å; Q1907-E1911 WeakPolarHBondContact CG-OE1 3.47Å; Q1907-E1911 PolarHBondContact NE2-OE1 2.96Å; Q1907-E1911 WeakPolarHBondContact O-CG 3.41Å; Q1907-E1911 PolarHBondContact O-N 3.15Å |
| 1908 | T | 80.7 | Confident | 76.9 | Confident | 21 Ų | 21 | 37 Ų | 37 | 13% | 0.129 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.6 | -36.1 | -177.3 | -55.2 | 0 | 0 | 0 | 0 | 112 | A1856 F1857 Q1860 E1904 L1905 A1912 | A1856-T1908 HydrophobicContact CB-CG2 4.4Å; F1857-T1908 HydrophobicContact CD1-CG2 4.36Å; F1857-T1908 HydrophobicContact CE1-CG2 4.03Å; Q1860-T1908 PolarHBondContact NE2-OG1 3.23Å; Q1860-T1908 VanDerWaalsContact OE1-CB 3.31Å; Q1860-T1908 PolarHBondContact OE1-OG1 3.46Å; Q1860-T1908 VanDerWaalsContact OE1-OG1 3.12Å; E1904-T1908 PolarHBondContact O-N 3.47Å; E1904-T1908 PolarHBondContact O-OG1 3.38Å; L1905-T1908 PolarHBondContact O-N 3.2Å; L1905-T1908 VanDerWaalsContact O-N 3.13Å; T1908-A1912 PolarHBondContact O-N 3.14Å |
| 1909 | V | 82.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.4 | -44.9 | 170.8 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | I1798 D1799 F1857 L1905 L1906 Q1907 E1911 A1912 I1913 | I1798-V1909 HydrophobicContact CB-CG2 4.16Å; I1798-V1909 HydrophobicContact CG2-CG2 3.57Å; D1799-V1909 HydrophobicContact CB-CG1 4.21Å; F1857-V1909 HydrophobicContact CE1-CG2 3.83Å; L1905-V1909 HydrophobicContact CD1-CG2 4.34Å; L1905-V1909 WeakPolarHBondContact O-CG2 3.35Å; L1905-V1909 PolarHBondContact O-N 3.43Å; L1906-V1909 PolarHBondContact O-N 2.82Å; Q1907-V1909 VanDerWaalsContact C-N 3.35Å; Q1907-V1909 PolarHBondContact O-N 3.15Å; V1909-E1911 VanDerWaalsContact C-N 3.35Å; V1909-E1911 PolarHBondContact O-N 2.95Å; V1909-A1912 CarbonylContact O-C 3.46Å; V1909-A1912 PolarHBondContact O-N 3.49Å; V1909-A1912 VanDerWaalsContact O-N 3.1Å; V1909-I1913 HydrophobicContact CG1-CD1 3.61Å; V1909-I1913 HydrophobicContact CG1-CG1 4.1Å; V1909-I1913 WeakPolarHBondContact O-CB 3.29Å; V1909-I1913 WeakPolarHBondContact O-CG1 3.43Å; V1909-I1913 PolarHBondContact O-N 2.88Å |
| 1910 | G | 72.7 | Confident | 75.2 | Confident | 21 Ų | 21 | 37.2 Ų | 37.2 | 22% | 0.216 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1906 Q1907 S1914 | L1906-G1910 PolarHBondContact O-N 3.31Å; Q1907-G1910 PolarHBondContact O-N 2.84Å; G1910-S1914 WeakPolarHBondContact O-CB 3.4Å; G1910-S1914 PolarHBondContact O-N 3.43Å |
| 1911 | E | 73.2 | Confident | 74.6 | Confident | 93 Ų | 93 | 33.7 Ų | 33.7 | 44% | 0.435 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 171.4 | -73.7 | 173 | -163.4 | 0 | 0 | 111.5 | Q1907 V1909 E1915 | Q1907-E1911 WeakPolarHBondContact CG-OE1 3.47Å; Q1907-E1911 PolarHBondContact NE2-OE1 2.96Å; Q1907-E1911 WeakPolarHBondContact O-CG 3.41Å; Q1907-E1911 PolarHBondContact O-N 3.15Å; V1909-E1911 VanDerWaalsContact C-N 3.35Å; V1909-E1911 PolarHBondContact O-N 2.95Å; E1911-E1915 WeakPolarHBondContact O-CB 3.28Å; E1911-E1915 WeakPolarHBondContact O-CG 3.5Å; E1911-E1915 PolarHBondContact O-N 3.46Å |
| 1912 | A | 73.7 | Confident | 74.3 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.4 | -39.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1795 F1857 T1908 V1909 E1915 A1916 | Y1795-A1912 HydrophobicContact CD2-CB 4.46Å; Y1795-A1912 HydrophobicContact CE1-CB 4.09Å; Y1795-A1912 HydrophobicContact CE2-CB 3.95Å; F1857-A1912 HydrophobicContact CZ-CB 4.22Å; T1908-A1912 PolarHBondContact O-N 3.14Å; V1909-A1912 CarbonylContact O-C 3.46Å; V1909-A1912 PolarHBondContact O-N 3.49Å; V1909-A1912 VanDerWaalsContact O-N 3.1Å; A1912-E1915 PolarHBondContact O-N 3.42Å; A1912-A1916 WeakPolarHBondContact O-CB 3.5Å; A1912-A1916 PolarHBondContact O-N 2.99Å |
| 1913 | I | 69.9 | Low | 73.7 | Confident | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 174.4 | -74.2 | 178.7 | 0 | 0 | 0 | 110.4 | Y1795 V1909 A1916 G1917 S1918 T1921 | Y1795-I1913 HydrophobicContact CD2-CG1 4.26Å; Y1795-I1913 HydrophobicContact CG-CG1 4.21Å; V1909-I1913 HydrophobicContact CG1-CD1 3.61Å; V1909-I1913 HydrophobicContact CG1-CG1 4.1Å; V1909-I1913 WeakPolarHBondContact O-CB 3.29Å; V1909-I1913 WeakPolarHBondContact O-CG1 3.43Å; V1909-I1913 PolarHBondContact O-N 2.88Å; I1913-A1916 CarbonylContact O-C 3.54Å; I1913-A1916 PolarHBondContact O-N 3.4Å; I1913-G1917 PolarHBondContact O-N 3.17Å; I1913-G1917 VanDerWaalsContact O-N 3.12Å; I1913-S1918 WeakPolarHBondContact CG2-O 3.17Å; I1913-S1918 PolarHBondContact O-N 3.22Å; I1913-T1921 HydrophobicContact CD1-CG2 3.67Å |
| 1914 | S | 66.5 | Low | 73.1 | Confident | 13 Ų | 13 | 32.5 Ų | 32.5 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 176.7 | -175.5 | 0 | 0 | 0 | 0 | 111 | G1910 A1916 G1917 G1977 R2032 | G1910-S1914 WeakPolarHBondContact O-CB 3.4Å; G1910-S1914 PolarHBondContact O-N 3.43Å; S1914-A1916 VanDerWaalsContact C-N 3.35Å; S1914-A1916 PolarHBondContact O-N 3.02Å; S1914-G1917 PolarHBondContact O-N 3.07Å; S1914-G1917 VanDerWaalsContact O-N 3.08Å; S1914-G1977 WeakPolarHBondContact OG-CA 3.34Å; S1914-G1977 PolarHBondContact OG-O 3.44Å; S1914-R2032 WeakPolarHBondContact O-CD 3.33Å; S1914-R2032 PolarHBondContact O-NE 3.45Å; S1914-R2032 VanDerWaalsContact O-NE 3.08Å; S1914-R2032 PolarHBondContact O-NH1 3.03Å |
| 1915 | E | 68.5 | Low | 72.6 | Confident | 106 Ų | 106 | 31 Ų | 31 | 50% | 0.495 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.9 | -43.6 | 173.3 | -82.9 | 178.6 | -154.3 | 0 | 0 | 112.8 | R1853 E1911 A1912 G1917 R2032 | R1853-E1915 IonicContact CZ-OE1 3.03Å; R1853-E1915 IonicContact CZ-OE2 3.04Å; R1853-E1915 VanDerWaalsContact CZ-OE2 3.28Å; R1853-E1915 IonicContact NH1-OE1 3.8Å; R1853-E1915 IonicContact NH1-OE2 2.72Å; R1853-E1915 PolarHBondContact NH1-OE2 3.27Å; R1853-E1915 IonicContact NH2-OE1 2.71Å; R1853-E1915 PolarHBondContact NH2-OE1 2.79Å; R1853-E1915 IonicContact NH2-OE2 3.89Å; R1853-E1915 PolarHBondContact NH2-OE2 3.43Å; E1911-E1915 WeakPolarHBondContact O-CB 3.28Å; E1911-E1915 WeakPolarHBondContact O-CG 3.5Å; E1911-E1915 PolarHBondContact O-N 3.46Å; A1912-E1915 PolarHBondContact O-N 3.42Å; E1915-G1917 PolarHBondContact O-N 2.91Å; E1915-R2032 PolarHBondContact O-NE 3.39Å |
| 1916 | A | 65.9 | Low | 72.4 | Confident | 43 Ų | 43 | 31 Ų | 31 | 36% | 0.355 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1792 A1912 I1913 S1914 S1918 | Q1792-A1916 HydrophobicContact CG-CB 4.48Å; A1912-A1916 WeakPolarHBondContact O-CB 3.5Å; A1912-A1916 PolarHBondContact O-N 2.99Å; I1913-A1916 CarbonylContact O-C 3.54Å; I1913-A1916 PolarHBondContact O-N 3.4Å; S1914-A1916 VanDerWaalsContact C-N 3.35Å; S1914-A1916 PolarHBondContact O-N 3.02Å; A1916-S1918 PolarHBondContact O-N 3.26Å |
| 1917 | G | 61.3 | Low | 71.9 | Confident | 12 Ų | 12 | 32 Ų | 32 | 12% | 0.124 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 14.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1913 S1914 E1915 | I1913-G1917 PolarHBondContact O-N 3.17Å; I1913-G1917 VanDerWaalsContact O-N 3.12Å; S1914-G1917 PolarHBondContact O-N 3.07Å; S1914-G1917 VanDerWaalsContact O-N 3.08Å; E1915-G1917 PolarHBondContact O-N 2.91Å |
| 1918 | S | 66.8 | Low | 71.3 | Confident | 27 Ų | 27 | 28.7 Ų | 28.7 | 19% | 0.189 | 16% | 0.161 | C | C | . | . | trans | -81.9 | 145.3 | 170.9 | -173.7 | 0 | 0 | 0 | 0 | 109.9 | I1913 A1916 S1920 | I1913-S1918 WeakPolarHBondContact CG2-O 3.17Å; I1913-S1918 PolarHBondContact O-N 3.22Å; A1916-S1918 PolarHBondContact O-N 3.26Å; S1918-S1920 PolarHBondContact OG-OG 2.86Å | ||
| 1919 | V | 70.4 | Confident | 71.1 | Confident | 24 Ų | 24 | 27.7 Ų | 27.7 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | trans | -122.8 | -8.3 | -169.6 | -145.7 | 0 | 0 | 0 | 0 | 112.7 | T1921 L1922 L1923 I2025 | V1919-T1921 VanDerWaalsContact C-N 3.32Å; V1919-T1921 PolarHBondContact O-N 2.97Å; V1919-L1922 HydrophobicContact CG1-CB 4.47Å; V1919-L1922 HydrophobicContact CG1-CD1 4.41Å; V1919-L1922 PolarHBondContact O-N 3.05Å; V1919-L1923 HydrophobicContact CB-CD1 4.17Å; V1919-L1923 HydrophobicContact CB-CG 4.39Å; V1919-L1923 HydrophobicContact CG1-CD1 4.26Å; V1919-L1923 HydrophobicContact CG1-CD2 4.46Å; V1919-L1923 HydrophobicContact CG1-CG 4.06Å; V1919-L1923 WeakPolarHBondContact O-CG 3.25Å; V1919-L1923 PolarHBondContact O-N 2.7Å; V1919-L1923 VanDerWaalsContact O-N 3.1Å; V1919-I2025 HydrophobicContact CG1-CB 4.46Å; V1919-I2025 HydrophobicContact CG1-CG2 3.16Å | ||
| 1920 | S | 66.7 | Low | 70.9 | Confident | 27 Ų | 27 | 28.6 Ų | 28.6 | 19% | 0.189 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.1 | -45.4 | -168.8 | 43.1 | 0 | 0 | 0 | 0 | 112.8 | E1796 S1918 L1923 E1924 | E1796-S1920 VanDerWaalsContact OE1-CB 3.28Å; E1796-S1920 WeakPolarHBondContact OE1-CB 3.44Å; E1796-S1920 PolarHBondContact OE1-OG 3.16Å; S1918-S1920 PolarHBondContact OG-OG 2.86Å; S1920-L1923 PolarHBondContact O-N 2.83Å; S1920-E1924 WeakPolarHBondContact O-CG 3.49Å; S1920-E1924 PolarHBondContact O-N 3.5Å |
| 1921 | T | 65.7 | Low | 70.8 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 8% | 0.08 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.6 | -45.9 | -179.2 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | D1799 I1913 V1919 L1923 E1924 E1925 | D1799-T1921 HydrophobicContact CB-CG2 4.13Å; D1799-T1921 VanDerWaalsContact CG-CG2 3.42Å; D1799-T1921 VanDerWaalsContact OD2-CG2 3.26Å; D1799-T1921 WeakPolarHBondContact OD2-CG2 3.39Å; I1913-T1921 HydrophobicContact CD1-CG2 3.67Å; V1919-T1921 VanDerWaalsContact C-N 3.32Å; V1919-T1921 PolarHBondContact O-N 2.97Å; T1921-L1923 VanDerWaalsContact C-N 3.26Å; T1921-L1923 PolarHBondContact O-N 2.91Å; T1921-E1924 PolarHBondContact O-N 2.98Å; T1921-E1925 PolarHBondContact O-N 3.43Å |
| 1922 | L | 74.3 | Confident | 70.7 | Confident | 18 Ų | 18 | 28.6 Ų | 28.6 | 9% | 0.094 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.5 | -37.3 | 175.9 | -61.1 | 179.7 | 0 | 0 | 0 | 112.2 | V1919 I1926 A1980 T1981 M1984 I2025 | V1919-L1922 HydrophobicContact CG1-CB 4.47Å; V1919-L1922 HydrophobicContact CG1-CD1 4.41Å; V1919-L1922 PolarHBondContact O-N 3.05Å; L1922-I1926 WeakPolarHBondContact O-CG1 3.44Å; L1922-I1926 PolarHBondContact O-N 2.9Å; L1922-A1980 HydrophobicContact CD1-CB 4.14Å; L1922-T1981 HydrophobicContact CD2-CG2 4.49Å; L1922-M1984 HydrophobicContact CD2-CB 4.31Å; L1922-M1984 HydrophobicContact CD2-CG 4.31Å; L1922-M1984 HydrophobicContact CD2-SD 3.59Å; L1922-M1984 VanDerWaalsContact CD2-SD 3.59Å; L1922-I2025 HydrophobicContact CB-CG2 4.35Å; L1922-I2025 HydrophobicContact CD1-CG2 4.37Å |
| 1923 | L | 76.5 | Confident | 70.6 | Confident | 17 Ų | 17 | 28.6 Ų | 28.6 | 9% | 0.089 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -75.2 | -36.1 | 178.4 | -61.9 | 175.4 | 0 | 0 | 0 | 112.3 | V1919 S1920 T1921 R1927 I2022 I2025 K2026 | V1919-L1923 HydrophobicContact CB-CD1 4.17Å; V1919-L1923 HydrophobicContact CB-CG 4.39Å; V1919-L1923 HydrophobicContact CG1-CD1 4.26Å; V1919-L1923 HydrophobicContact CG1-CD2 4.46Å; V1919-L1923 HydrophobicContact CG1-CG 4.06Å; V1919-L1923 WeakPolarHBondContact O-CG 3.25Å; V1919-L1923 PolarHBondContact O-N 2.7Å; V1919-L1923 VanDerWaalsContact O-N 3.1Å; S1920-L1923 PolarHBondContact O-N 2.83Å; T1921-L1923 VanDerWaalsContact C-N 3.26Å; T1921-L1923 PolarHBondContact O-N 2.91Å; L1923-R1927 VanDerWaalsContact O-CG 3.32Å; L1923-R1927 WeakPolarHBondContact O-CG 3.4Å; L1923-R1927 PolarHBondContact O-N 2.93Å; L1923-R1927 VanDerWaalsContact O-N 3.08Å; L1923-I2022 HydrophobicContact CD2-CB 4.3Å; L1923-I2022 HydrophobicContact CD2-CG1 4.32Å; L1923-I2022 HydrophobicContact CD2-CG2 4.16Å; L1923-I2022 WeakPolarHBondContact CD2-O 3.3Å; L1923-I2025 HydrophobicContact CD2-CB 4.08Å; L1923-I2025 HydrophobicContact CD2-CG2 3.89Å; L1923-K2026 HydrophobicContact CD1-CD 4.38Å; L1923-K2026 HydrophobicContact CD1-CG 3.56Å; L1923-K2026 HydrophobicContact CD2-CG 4.12Å |
| 1924 | E | 68.7 | Low | 70.4 | Confident | 32 Ų | 32 | 30.9 Ų | 30.9 | 15% | 0.15 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.3 | -40.6 | 175 | -73.4 | -162.5 | 155.9 | 0 | 0 | 112 | R1086 S1920 T1921 R1927 K1928 | R1086-E1924 IonicContact CZ-OE1 2.64Å; R1086-E1924 IonicContact CZ-OE2 3.62Å; R1086-E1924 IonicContact NH2-OE1 3.49Å; R1086-E1924 PolarHBondContact NH2-OE1 3.38Å; R1086-E1924 IonicContact NH2-OE2 3.38Å; R1086-E1924 PolarHBondContact NH2-OE2 3.23Å; S1920-E1924 WeakPolarHBondContact O-CG 3.49Å; S1920-E1924 PolarHBondContact O-N 3.5Å; T1921-E1924 PolarHBondContact O-N 2.98Å; E1924-R1927 PolarHBondContact O-N 3.26Å; E1924-K1928 WeakPolarHBondContact O-CB 3.29Å; E1924-K1928 PolarHBondContact O-N 3.02Å |
| 1925 | E | 69.5 | Low | 70.3 | Confident | 37 Ų | 37 | 34.8 Ų | 34.8 | 17% | 0.173 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 175.5 | -81.8 | -67 | 118.2 | 0 | 0 | 112.5 | H1803 T1921 K1928 A1929 M1984 | H1803-E1925 IonicContact CE1-OE1 3.83Å; H1803-E1925 IonicContact ND1-OE1 2.73Å; T1921-E1925 PolarHBondContact O-N 3.43Å; E1925-K1928 WeakPolarHBondContact O-CB 3.29Å; E1925-K1928 PolarHBondContact O-N 3.04Å; E1925-K1928 WeakPolarHBondContact OE1-CD 3.41Å; E1925-K1928 IonicContact OE1-NZ 3.6Å; E1925-A1929 WeakPolarHBondContact O-CB 3.5Å; E1925-A1929 PolarHBondContact O-N 3.03Å; E1925-M1984 HydrophobicContact CB-CG 4.41Å; E1925-M1984 HydrophobicContact CB-SD 3.85Å; E1925-M1984 HydrophobicContact CG-SD 4.45Å |
| 1926 | I | 80.2 | Confident | 69.5 | Low | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.3 | -41 | 174.3 | -67.5 | 169.2 | 0 | 0 | 0 | 111.4 | L1922 K1928 A1929 I1930 M1984 Y1987 C2021 I2022 I2025 | L1922-I1926 WeakPolarHBondContact O-CG1 3.44Å; L1922-I1926 PolarHBondContact O-N 2.9Å; I1926-K1928 VanDerWaalsContact C-N 3.31Å; I1926-K1928 PolarHBondContact O-N 2.73Å; I1926-A1929 PolarHBondContact O-N 3.44Å; I1926-I1930 HydrophobicContact CG2-CD1 4.2Å; I1926-I1930 WeakPolarHBondContact O-CG1 3.49Å; I1926-I1930 PolarHBondContact O-N 3.39Å; I1926-M1984 HydrophobicContact CD1-CB 4.13Å; I1926-M1984 HydrophobicContact CD1-CG 4.04Å; I1926-M1984 HydrophobicContact CG1-CB 4.32Å; I1926-M1984 HydrophobicContact CG1-CG 3.74Å; I1926-Y1987 HydrophobicContact CB-CD1 4.36Å; I1926-Y1987 HydrophobicContact CG1-CD1 4.16Å; I1926-Y1987 HydrophobicContact CG2-CD1 3.76Å; I1926-Y1987 HydrophobicContact CG2-CE1 3.76Å; I1926-C2021 HydrophobicContact CD1-CB 4.34Å; I1926-I2022 HydrophobicContact CB-CG1 4.18Å; I1926-I2022 HydrophobicContact CG2-CD1 3.92Å; I1926-I2022 HydrophobicContact CG2-CG1 3.67Å; I1926-I2025 HydrophobicContact CD1-CD1 3.33Å |
| 1927 | R | 75.6 | Confident | 68.9 | Low | 39 Ų | 39 | 34.7 Ų | 34.7 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -37.9 | 174.9 | -75.8 | 173.4 | 168.9 | 166.7 | -2.7 | 112.4 | E1110 L1923 E1924 I1930 S1931 I2022 | E1110-R1927 IonicContact OE1-CZ 2.75Å; E1110-R1927 IonicContact OE1-NH1 3.94Å; E1110-R1927 PolarHBondContact OE1-NH1 2.72Å; E1110-R1927 IonicContact OE1-NH2 3.92Å; E1110-R1927 PolarHBondContact OE1-NH2 3.37Å; E1110-R1927 IonicContact OE2-CZ 3.45Å; E1110-R1927 IonicContact OE2-NH1 3.76Å; E1110-R1927 IonicContact OE2-NH2 3.71Å; E1110-R1927 PolarHBondContact OE2-NH2 2.94Å; L1923-R1927 VanDerWaalsContact O-CG 3.32Å; L1923-R1927 WeakPolarHBondContact O-CG 3.4Å; L1923-R1927 PolarHBondContact O-N 2.93Å; L1923-R1927 VanDerWaalsContact O-N 3.08Å; E1924-R1927 PolarHBondContact O-N 3.26Å; R1927-I1930 PolarHBondContact O-N 3.35Å; R1927-S1931 PolarHBondContact O-N 3.31Å; R1927-S1931 VanDerWaalsContact O-N 3.11Å; R1927-I2022 HydrophobicContact CG-CD1 3.68Å |
| 1928 | K | 68.4 | Low | 68.6 | Low | 50 Ų | 50 | 36.3 Ų | 36.3 | 22% | 0.217 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 173.3 | -167.8 | -172.9 | -168.9 | -179 | 0 | 111.1 | E1807 E1924 E1925 I1926 I1930 S1931 W1932 | E1807-K1928 WeakPolarHBondContact OE1-CE 3.15Å; E1807-K1928 IonicContact OE1-NZ 2.65Å; E1807-K1928 PolarHBondContact OE1-NZ 3.3Å; E1924-K1928 WeakPolarHBondContact O-CB 3.29Å; E1924-K1928 PolarHBondContact O-N 3.02Å; E1925-K1928 WeakPolarHBondContact O-CB 3.29Å; E1925-K1928 PolarHBondContact O-N 3.04Å; E1925-K1928 WeakPolarHBondContact OE1-CD 3.41Å; E1925-K1928 IonicContact OE1-NZ 3.6Å; I1926-K1928 VanDerWaalsContact C-N 3.31Å; I1926-K1928 PolarHBondContact O-N 2.73Å; K1928-I1930 VanDerWaalsContact C-N 3.35Å; K1928-I1930 PolarHBondContact O-N 2.76Å; K1928-S1931 WeakPolarHBondContact O-CB 3.22Å; K1928-S1931 PolarHBondContact O-N 2.63Å; K1928-S1931 PolarHBondContact O-OG 3.04Å; K1928-W1932 HydrophobicContact CD-CH2 4.37Å; K1928-W1932 HydrophobicContact CD-CZ2 3.81Å; K1928-W1932 HydrophobicContact CG-CZ2 3.93Å; K1928-W1932 PolarHBondContact O-N 3.44Å |
| 1929 | A | 76.3 | Confident | 67.9 | Low | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -38 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1925 I1926 W1932 Y1987 C1988 A1991 | E1925-A1929 WeakPolarHBondContact O-CB 3.5Å; E1925-A1929 PolarHBondContact O-N 3.03Å; I1926-A1929 PolarHBondContact O-N 3.44Å; A1929-W1932 HydrophobicContact CB-CE3 4.18Å; A1929-W1932 HydrophobicContact CB-CZ3 4.47Å; A1929-W1932 PolarHBondContact O-N 3.41Å; A1929-Y1987 HydrophobicContact CB-CD1 4.17Å; A1929-Y1987 HydrophobicContact CB-CE1 3.93Å; A1929-C1988 HydrophobicContact CB-CB 4.38Å; A1929-A1991 HydrophobicContact CB-CB 3.96Å |
| 1930 | I | 78.8 | Confident | 67.1 | Low | 20 Ų | 20 | 49.1 Ų | 49.1 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.8 | -50 | 169.4 | -70.7 | 165.5 | 0 | 0 | 0 | 109.9 | I1926 R1927 K1928 W1932 T1933 Y1987 Q2015 I2022 | I1926-I1930 HydrophobicContact CG2-CD1 4.2Å; I1926-I1930 WeakPolarHBondContact O-CG1 3.49Å; I1926-I1930 PolarHBondContact O-N 3.39Å; R1927-I1930 PolarHBondContact O-N 3.35Å; K1928-I1930 VanDerWaalsContact C-N 3.35Å; K1928-I1930 PolarHBondContact O-N 2.76Å; I1930-W1932 VanDerWaalsContact C-N 3.25Å; I1930-W1932 PolarHBondContact O-N 2.97Å; I1930-T1933 PolarHBondContact O-N 2.73Å; I1930-T1933 PolarHBondContact O-OG1 3.34Å; I1930-Y1987 HydrophobicContact CG1-CE1 4.13Å; I1930-Y1987 VanDerWaalsContact CG1-OH 3.3Å; I1930-Y1987 WeakPolarHBondContact CG1-OH 3.46Å; I1930-Q2015 HydrophobicContact CG2-CG 4.34Å; I1930-I2022 HydrophobicContact CD1-CD1 3.8Å |
| 1931 | S | 70.3 | Confident | 66.9 | Low | 38 Ų | 38 | 51.7 Ų | 51.7 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.1 | -29.2 | -179.7 | 77.6 | 0 | 0 | 0 | 0 | 114 | R1927 K1928 T1933 D1934 | R1927-S1931 PolarHBondContact O-N 3.31Å; R1927-S1931 VanDerWaalsContact O-N 3.11Å; K1928-S1931 WeakPolarHBondContact O-CB 3.22Å; K1928-S1931 PolarHBondContact O-N 2.63Å; K1928-S1931 PolarHBondContact O-OG 3.04Å; S1931-T1933 VanDerWaalsContact C-N 3.29Å; S1931-T1933 PolarHBondContact O-N 2.98Å; S1931-D1934 PolarHBondContact O-N 3.24Å |
| 1932 | W | 70.4 | Confident | 66.8 | Low | 76 Ų | 76 | 52.8 Ų | 52.8 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.1 | -24.1 | 174.7 | -67 | -22.8 | 0 | 0 | 0 | 113.7 | K1928 A1929 I1930 D1934 E1935 R1995 | K1928-W1932 HydrophobicContact CD-CH2 4.37Å; K1928-W1932 HydrophobicContact CD-CZ2 3.81Å; K1928-W1932 HydrophobicContact CG-CZ2 3.93Å; K1928-W1932 PolarHBondContact O-N 3.44Å; A1929-W1932 HydrophobicContact CB-CE3 4.18Å; A1929-W1932 HydrophobicContact CB-CZ3 4.47Å; A1929-W1932 PolarHBondContact O-N 3.41Å; I1930-W1932 VanDerWaalsContact C-N 3.25Å; I1930-W1932 PolarHBondContact O-N 2.97Å; W1932-D1934 PolarHBondContact O-N 2.81Å; W1932-E1935 PolarHBondContact O-N 3.25Å; W1932-R1995 VanDerWaalsContact O-CD 3.24Å; W1932-R1995 WeakPolarHBondContact O-CD 3.34Å; W1932-R1995 WeakPolarHBondContact O-CG 3.49Å; W1932-R1995 PolarHBondContact O-NH1 3.48Å |
| 1933 | T | 71.9 | Confident | 66.6 | Low | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -18.4 | 178.8 | 65 | 0 | 0 | 0 | 0 | 113.3 | I1930 S1931 A1991 T1994 R2011 V2014 Q2015 | I1930-T1933 PolarHBondContact O-N 2.73Å; I1930-T1933 PolarHBondContact O-OG1 3.34Å; S1931-T1933 VanDerWaalsContact C-N 3.29Å; S1931-T1933 PolarHBondContact O-N 2.98Å; T1933-A1991 HydrophobicContact CG2-CB 3.88Å; T1933-T1994 HydrophobicContact CG2-CG2 4.5Å; T1933-R2011 PolarHBondContact O-NE 3.37Å; T1933-V2014 HydrophobicContact CG2-CG1 4.37Å; T1933-Q2015 WeakPolarHBondContact OG1-CG 3.42Å; T1933-Q2015 PolarHBondContact OG1-NE2 2.85Å |
| 1934 | D | 66.3 | Low | 66.6 | Low | 56 Ų | 56 | 57.2 Ų | 57.2 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -26 | 174.1 | -63 | -29.9 | 0 | 0 | 0 | 112 | R1116 S1931 W1932 Q2015 | R1116-D1934 IonicContact CZ-OD2 2.74Å; R1116-D1934 IonicContact NH1-OD2 2.93Å; R1116-D1934 PolarHBondContact NH1-OD2 3.32Å; S1931-D1934 PolarHBondContact O-N 3.24Å; W1932-D1934 PolarHBondContact O-N 2.81Å; D1934-Q2015 PolarHBondContact OD1-NE2 3.28Å |
| 1935 | E | 63.2 | Low | 66.8 | Low | 94 Ų | 94 | 57 Ų | 57 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | trans | -75.3 | 123.8 | -175.1 | -71.5 | -174.3 | 175.4 | 0 | 0 | 112.7 | W1932 L1937 R1995 | W1932-E1935 PolarHBondContact O-N 3.25Å; E1935-L1937 VanDerWaalsContact C-N 3.33Å; E1935-L1937 PolarHBondContact O-N 3.13Å; E1935-R1995 VanDerWaalsContact CB-CZ 3.47Å; E1935-R1995 VanDerWaalsContact CB-NH2 3.28Å; E1935-R1995 PolarHBondContact O-NE 3.03Å; E1935-R1995 IonicContact OE2-CZ 3.83Å; E1935-R1995 IonicContact OE2-NH1 3.77Å; E1935-R1995 PolarHBondContact OE2-NH1 3.32Å; E1935-R1995 IonicContact OE2-NH2 2.67Å; E1935-R1995 PolarHBondContact OE2-NH2 2.88Å | ||
| 1936 | P | 53.1 | Low | 67.1 | Low | 78 Ų | 78 | 58.6 Ų | 58.6 | 51% | 0.506 | 31% | 0.308 | S | S | . | . | trans | -83.6 | 3.5 | -170.3 | 33.4 | -37.7 | 0 | 0 | 0 | 115.4 | ||||
| 1937 | L | 52.8 | Low | 67.1 | Low | 69 Ų | 69 | 59.4 Ų | 59.4 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | trans | -102 | 124.9 | -174.4 | -83.8 | 126.3 | 0 | 0 | 0 | 112.3 | E1935 R1995 | E1935-L1937 VanDerWaalsContact C-N 3.33Å; E1935-L1937 PolarHBondContact O-N 3.13Å; L1937-R1995 PolarHBondContact O-NE 2.85Å; L1937-R1995 PolarHBondContact O-NH2 3.49Å | ||
| 1938 | V | 55.5 | Low | 67.4 | Low | 46 Ų | 46 | 57.6 Ų | 57.6 | 28% | 0.279 | 30% | 0.304 | S | S | . | . | trans | -127.8 | 124.7 | 160.1 | -171.6 | 0 | 0 | 0 | 0 | 106.3 | D1940 R1995 | V1938-D1940 VanDerWaalsContact C-N 3.32Å; V1938-D1940 VanDerWaalsContact CG1-O 3.24Å; V1938-D1940 WeakPolarHBondContact CG1-O 3.49Å; V1938-D1940 PolarHBondContact O-N 3.36Å; V1938-R1995 HydrophobicContact CG2-CB 3.52Å | ||
| 1939 | H | 51.4 | Low | 67.7 | Low | 182 Ų | 182 | 57.4 Ų | 57.4 | 84% | 0.843 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -75 | -19.3 | -173.1 | -72.8 | -64.5 | 0 | 0 | 0 | 114.2 | ||
| 1940 | D | 54.4 | Low | 67.9 | Low | 138 Ų | 138 | 61.8 Ų | 61.8 | 74% | 0.738 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -136.2 | 125.9 | 176.4 | -164.5 | 6.2 | 0 | 0 | 0 | 109.8 | V1938 Y1947 | V1938-D1940 VanDerWaalsContact C-N 3.32Å; V1938-D1940 VanDerWaalsContact CG1-O 3.24Å; V1938-D1940 WeakPolarHBondContact CG1-O 3.49Å; V1938-D1940 PolarHBondContact O-N 3.36Å; D1940-Y1947 PolarHBondContact O-OH 3.44Å |
| 1941 | V | 61.2 | Low | 68.3 | Low | 82 Ų | 82 | 60.8 Ų | 60.8 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | trans | -116.4 | 98.9 | -164.7 | -176.5 | 0 | 0 | 0 | 0 | 110 | T2000 | V1941-T2000 HydrophobicContact CG1-CG2 3.3Š| ||
| 1942 | G | 65 | Low | 69 | Low | 35 Ų | 35 | 59.7 Ų | 59.7 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | trans | -73.8 | -178.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y1947 T2000 | G1942-Y1947 PolarHBondContact N-OH 2.64Å; G1942-Y1947 VanDerWaalsContact N-OH 3.09Å; G1942-Y1947 WeakPolarHBondContact O-CE2 3.28Å; G1942-T2000 WeakPolarHBondContact O-CG2 3.36Å | ||
| 1943 | E | 70.4 | Confident | 69.5 | Low | 95 Ų | 95 | 61.3 Ų | 61.3 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | trans | -74.4 | 141.7 | 176.5 | -63.2 | -173.9 | -174.9 | 0 | 0 | 111.4 | V1945 D1946 Y1947 K2199 | E1943-V1945 PolarHBondContact O-N 2.85Å; E1943-D1946 WeakPolarHBondContact O-CB 3.41Å; E1943-D1946 PolarHBondContact O-N 3.14Å; E1943-Y1947 WeakPolarHBondContact O-CD2 3.42Å; E1943-Y1947 PolarHBondContact O-N 2.86Å; E1943-K2199 IonicContact OE1-NZ 2.71Å; E1943-K2199 PolarHBondContact OE1-NZ 3.29Å; E1943-K2199 WeakPolarHBondContact OE2-CE 3.25Å; E1943-K2199 IonicContact OE2-NZ 2.72Å; E1943-K2199 PolarHBondContact OE2-NZ 2.98Å | ||
| 1944 | Y | 76.4 | Confident | 70.3 | Confident | 33 Ų | 33 | 63 Ų | 63 | 13% | 0.129 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -52 | -34.2 | 178.4 | 178.1 | -90.6 | 0 | 0 | 0 | 113 | D1946 Q1948 A1997 A2001 I2010 A2066 | Y1944-D1946 VanDerWaalsContact C-N 3.31Å; Y1944-D1946 PolarHBondContact O-N 2.93Å; Y1944-Q1948 HydrophobicContact CE1-CB 4.27Å; Y1944-Q1948 HydrophobicContact CE1-CG 4.47Å; Y1944-Q1948 VanDerWaalsContact O-CB 3.3Å; Y1944-Q1948 WeakPolarHBondContact O-CB 3.48Å; Y1944-Q1948 PolarHBondContact O-N 2.93Å; Y1944-A1997 HydrophobicContact CE2-CB 4.48Å; Y1944-A2001 HydrophobicContact CE2-CB 4.23Å; Y1944-I2010 HydrophobicContact CE2-CD1 4.34Å; Y1944-A2066 HydrophobicContact CE1-CB 4.48Å |
| 1945 | V | 71.7 | Confident | 71.3 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.1 | -30.5 | 179 | 172.5 | 0 | 0 | 0 | 0 | 112.7 | E1943 T1949 T2069 | E1943-V1945 PolarHBondContact O-N 2.85Å; V1945-T1949 WeakPolarHBondContact O-CB 3.49Å; V1945-T1949 PolarHBondContact O-N 2.66Å; V1945-T1949 PolarHBondContact O-OG1 3.42Å; V1945-T2069 HydrophobicContact CG1-CG2 3.56Å; V1945-T2069 HydrophobicContact CG2-CG2 4.39Å |
| 1946 | D | 75.8 | Confident | 72.2 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -75.3 | -46.1 | 179.1 | -64.9 | -33.2 | 0 | 0 | 0 | 110.5 | E1943 Y1944 T1949 R1950 | E1943-D1946 WeakPolarHBondContact O-CB 3.41Å; E1943-D1946 PolarHBondContact O-N 3.14Å; Y1944-D1946 VanDerWaalsContact C-N 3.31Å; Y1944-D1946 PolarHBondContact O-N 2.93Å; D1946-T1949 PolarHBondContact O-N 2.9Å; D1946-R1950 PolarHBondContact O-N 3.19Å; D1946-R1950 VanDerWaalsContact O-N 3.09Å |
| 1947 | Y | 81.4 | Confident | 73.8 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.8 | -50 | 169.7 | -64.2 | -69.3 | 0 | 0 | 0 | 110.6 | D1940 G1942 E1943 T1949 R1950 M1951 D1993 T2000 | D1940-Y1947 PolarHBondContact O-OH 3.44Å; G1942-Y1947 PolarHBondContact N-OH 2.64Å; G1942-Y1947 VanDerWaalsContact N-OH 3.09Å; G1942-Y1947 WeakPolarHBondContact O-CE2 3.28Å; E1943-Y1947 WeakPolarHBondContact O-CD2 3.42Å; E1943-Y1947 PolarHBondContact O-N 2.86Å; Y1947-T1949 VanDerWaalsContact C-N 3.3Å; Y1947-T1949 PolarHBondContact O-N 3.38Å; Y1947-R1950 VanDerWaalsContact CE1-NH2 3.25Å; Y1947-R1950 PolarHBondContact O-N 3.32Å; Y1947-M1951 WeakPolarHBondContact O-CB 3.24Å; Y1947-M1951 WeakPolarHBondContact O-CG 3.32Å; Y1947-M1951 PolarHBondContact O-N 3.01Å; Y1947-D1993 HydrophobicContact CD1-CB 4.13Å; Y1947-D1993 WeakPolarHBondContact CD1-OD1 3.22Å; Y1947-T2000 HydrophobicContact CE2-CG2 4.21Å |
| 1948 | Q | 81.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.1 | -43.5 | 177.3 | -168.4 | -161.2 | 33.9 | 0 | 0 | 112.1 | Y1944 I1952 L2062 A2066 | Y1944-Q1948 HydrophobicContact CE1-CB 4.27Å; Y1944-Q1948 HydrophobicContact CE1-CG 4.47Å; Y1944-Q1948 VanDerWaalsContact O-CB 3.3Å; Y1944-Q1948 WeakPolarHBondContact O-CB 3.48Å; Y1944-Q1948 PolarHBondContact O-N 2.93Å; Q1948-I1952 HydrophobicContact CG-CD1 3.92Å; Q1948-I1952 WeakPolarHBondContact O-CB 3.34Å; Q1948-I1952 WeakPolarHBondContact O-CG1 3.31Å; Q1948-I1952 PolarHBondContact O-N 3.3Å; Q1948-I1952 VanDerWaalsContact O-N 3.08Å; Q1948-L2062 HydrophobicContact CG-CB 4.41Å; Q1948-L2062 PolarHBondContact NE2-O 3.23Å; Q1948-A2066 PolarHBondContact NE2-O 3.09Å |
| 1949 | T | 74.7 | Confident | 77 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 28% | 0.282 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | -179.9 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | V1945 D1946 Y1947 H1953 K2194 | V1945-T1949 WeakPolarHBondContact O-CB 3.49Å; V1945-T1949 PolarHBondContact O-N 2.66Å; V1945-T1949 PolarHBondContact O-OG1 3.42Å; D1946-T1949 PolarHBondContact O-N 2.9Å; Y1947-T1949 VanDerWaalsContact C-N 3.3Å; Y1947-T1949 PolarHBondContact O-N 3.38Å; T1949-H1953 PolarHBondContact O-N 3.49Å; T1949-K2194 PolarHBondContact OG1-NZ 2.98Å |
| 1950 | R | 81.4 | Confident | 78.6 | Confident | 92 Ų | 92 | 52.7 Ų | 52.7 | 35% | 0.347 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -71.2 | -44.9 | 179.6 | -67.1 | -167.7 | -56.1 | -93 | 5.2 | 112.4 | D1946 Y1947 I1952 H1953 Y1954 D1993 | D1946-R1950 PolarHBondContact O-N 3.19Å; D1946-R1950 VanDerWaalsContact O-N 3.09Å; Y1947-R1950 VanDerWaalsContact CE1-NH2 3.25Å; Y1947-R1950 PolarHBondContact O-N 3.32Å; R1950-I1952 VanDerWaalsContact C-N 3.32Å; R1950-I1952 PolarHBondContact O-N 2.93Å; R1950-H1953 WeakPolarHBondContact O-CA 3.17Å; R1950-H1953 VanDerWaalsContact O-CB 3.31Å; R1950-H1953 WeakPolarHBondContact O-CB 3.26Å; R1950-H1953 PolarHBondContact O-N 2.86Å; R1950-Y1954 HydrophobicContact CB-CE2 3.87Å; R1950-Y1954 VanDerWaalsContact O-CD2 3.23Å; R1950-Y1954 WeakPolarHBondContact O-CD2 3.39Å; R1950-Y1954 PolarHBondContact O-N 3.02Å; R1950-D1993 WeakPolarHBondContact CB-OD2 3.35Å; R1950-D1993 IonicContact CZ-OD1 2.8Å; R1950-D1993 IonicContact CZ-OD2 2.77Å; R1950-D1993 IonicContact NE-OD1 3.72Å; R1950-D1993 PolarHBondContact NE-OD1 2.92Å; R1950-D1993 IonicContact NE-OD2 3.23Å; R1950-D1993 PolarHBondContact NE-OD2 2.99Å; R1950-D1993 IonicContact NH2-OD1 3.78Å; R1950-D1993 PolarHBondContact NH2-OD1 3.22Å; R1950-D1993 IonicContact NH2-OD2 3.68Å |
| 1951 | M | 86.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -40.4 | 177.3 | -66.8 | -179.9 | 73 | 0 | 0 | 112.2 | Y1947 H1953 Y1954 C1955 L1990 D1993 T1994 A1997 I2010 V2014 L2062 | Y1947-M1951 WeakPolarHBondContact O-CB 3.24Å; Y1947-M1951 WeakPolarHBondContact O-CG 3.32Å; Y1947-M1951 PolarHBondContact O-N 3.01Å; M1951-H1953 VanDerWaalsContact C-N 3.32Å; M1951-H1953 PolarHBondContact O-N 2.96Å; M1951-Y1954 PolarHBondContact O-N 2.94Å; M1951-C1955 WeakPolarHBondContact O-CB 3.29Å; M1951-C1955 PolarHBondContact O-N 3.27Å; M1951-C1955 PolarHBondContact O-SG 3.22Å; M1951-L1990 HydrophobicContact CB-CD1 3.72Å; M1951-L1990 HydrophobicContact CE-CD1 3.71Å; M1951-L1990 HydrophobicContact CG-CD1 3.85Å; M1951-D1993 HydrophobicContact CG-CB 3.75Å; M1951-D1993 HydrophobicContact SD-CB 4.37Å; M1951-T1994 WeakPolarHBondContact CE-OG1 3.4Å; M1951-A1997 HydrophobicContact SD-CB 3.55Å; M1951-A1997 VanDerWaalsContact SD-CB 3.55Å; M1951-I2010 HydrophobicContact CE-CG2 3.75Å; M1951-V2014 HydrophobicContact CE-CG2 4.34Å; M1951-L2062 HydrophobicContact CB-CD1 3.7Å; M1951-L2062 HydrophobicContact CB-CD2 4.45Å; M1951-L2062 HydrophobicContact CE-CD1 4.32Å; M1951-L2062 HydrophobicContact CE-CD2 4.01Å; M1951-L2062 HydrophobicContact SD-CD2 3.84Å |
| 1952 | I | 83.4 | Confident | 81.3 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 7% | 0.072 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.7 | -34.4 | 175.2 | -69.4 | 175.3 | 0 | 0 | 0 | 111.7 | Q1948 R1950 K1956 L2059 L2062 | Q1948-I1952 HydrophobicContact CG-CD1 3.92Å; Q1948-I1952 WeakPolarHBondContact O-CB 3.34Å; Q1948-I1952 WeakPolarHBondContact O-CG1 3.31Å; Q1948-I1952 PolarHBondContact O-N 3.3Å; Q1948-I1952 VanDerWaalsContact O-N 3.08Å; R1950-I1952 VanDerWaalsContact C-N 3.32Å; R1950-I1952 PolarHBondContact O-N 2.93Å; I1952-K1956 WeakPolarHBondContact O-CG 3.38Å; I1952-K1956 PolarHBondContact O-N 3.44Å; I1952-L2059 HydrophobicContact CB-CD2 4.25Å; I1952-L2059 HydrophobicContact CG1-CD2 3.84Å; I1952-L2059 HydrophobicContact CG2-CD2 4.11Å; I1952-L2062 HydrophobicContact CG1-CD1 4.01Å |
| 1953 | H | 81.3 | Confident | 82.2 | Confident | 111 Ų | 111 | 46.4 Ų | 46.4 | 51% | 0.514 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.8 | -51.1 | 173.4 | 178.4 | -80.8 | 0 | 0 | 0 | 111.3 | T1949 R1950 M1951 C1955 K1956 E1957 | T1949-H1953 PolarHBondContact O-N 3.49Å; R1950-H1953 WeakPolarHBondContact O-CA 3.17Å; R1950-H1953 VanDerWaalsContact O-CB 3.31Å; R1950-H1953 WeakPolarHBondContact O-CB 3.26Å; R1950-H1953 PolarHBondContact O-N 2.86Å; M1951-H1953 VanDerWaalsContact C-N 3.32Å; M1951-H1953 PolarHBondContact O-N 2.96Å; H1953-C1955 PolarHBondContact O-N 2.9Å; H1953-K1956 PolarHBondContact O-N 3.13Å; H1953-K1956 VanDerWaalsContact O-N 3.17Å; H1953-E1957 PolarHBondContact O-N 2.9Å; H1953-E1957 VanDerWaalsContact O-N 3.09Å |
| 1954 | Y | 89.1 | Confident | 82.6 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 15% | 0.145 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 177.8 | -54.3 | -44.6 | 0 | 0 | 0 | 112.3 | R1950 M1951 K1956 E1957 I1958 L1989 L1990 D1993 | R1950-Y1954 HydrophobicContact CB-CE2 3.87Å; R1950-Y1954 VanDerWaalsContact O-CD2 3.23Å; R1950-Y1954 WeakPolarHBondContact O-CD2 3.39Å; R1950-Y1954 PolarHBondContact O-N 3.02Å; M1951-Y1954 PolarHBondContact O-N 2.94Å; Y1954-K1956 VanDerWaalsContact C-N 3.3Å; Y1954-K1956 PolarHBondContact O-N 3.36Å; Y1954-E1957 PolarHBondContact O-N 3.32Å; Y1954-I1958 WeakPolarHBondContact O-CB 3.47Å; Y1954-I1958 VanDerWaalsContact O-CG1 3.28Å; Y1954-I1958 WeakPolarHBondContact O-CG1 3.44Å; Y1954-I1958 PolarHBondContact O-N 3.11Å; Y1954-L1989 HydrophobicContact CD1-CB 4.31Å; Y1954-L1989 HydrophobicContact CD1-CD1 4.37Å; Y1954-L1989 HydrophobicContact CD2-CB 4.1Å; Y1954-L1989 HydrophobicContact CE1-CB 4.03Å; Y1954-L1989 HydrophobicContact CE1-CD1 3.74Å; Y1954-L1989 HydrophobicContact CE2-CB 3.79Å; Y1954-L1989 HydrophobicContact CG-CB 4.38Å; Y1954-L1990 HydrophobicContact CD2-CB 4.41Å; Y1954-D1993 WeakPolarHBondContact CE2-OD2 3.06Å |
| 1955 | C | 88.4 | Confident | 83 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.8 | -41.5 | 174.9 | -74.2 | 0 | 0 | 0 | 0 | 112.7 | M1951 H1953 S1959 V2055 V2058 L2059 | M1951-C1955 WeakPolarHBondContact O-CB 3.29Å; M1951-C1955 PolarHBondContact O-N 3.27Å; M1951-C1955 PolarHBondContact O-SG 3.22Å; H1953-C1955 PolarHBondContact O-N 2.9Å; C1955-S1959 WeakPolarHBondContact O-CB 3.44Å; C1955-S1959 PolarHBondContact O-N 3.18Å; C1955-S1959 VanDerWaalsContact O-N 3.11Å; C1955-V2055 HydrophobicContact CB-CG1 4Å; C1955-V2055 WeakPolarHBondContact O-CG1 3.39Å; C1955-V2058 VanDerWaalsContact SG-CG1 3.59Å; C1955-L2059 HydrophobicContact CB-CD2 3.83Å; C1955-L2059 HydrophobicContact CB-CG 4.17Å |
| 1956 | K | 81.7 | Confident | 83.5 | Confident | 124 Ų | 124 | 42.9 Ų | 42.9 | 54% | 0.539 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68 | -41.6 | 177.2 | -76.5 | -178.3 | 175 | -168.7 | 0 | 112.3 | I1952 H1953 Y1954 S1959 R1960 | I1952-K1956 WeakPolarHBondContact O-CG 3.38Å; I1952-K1956 PolarHBondContact O-N 3.44Å; H1953-K1956 PolarHBondContact O-N 3.13Å; H1953-K1956 VanDerWaalsContact O-N 3.17Å; Y1954-K1956 VanDerWaalsContact C-N 3.3Å; Y1954-K1956 PolarHBondContact O-N 3.36Å; K1956-S1959 PolarHBondContact O-N 3.36Å; K1956-R1960 WeakPolarHBondContact O-CB 3.49Å; K1956-R1960 PolarHBondContact O-N 3.05Å |
| 1957 | E | 86.2 | Confident | 83.3 | Confident | 54 Ų | 54 | 41.6 Ų | 41.6 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.9 | -39.8 | 176.6 | -73.4 | -56.5 | 118.1 | 0 | 0 | 112.4 | H1953 Y1954 S1959 R1960 L1961 | H1953-E1957 PolarHBondContact O-N 2.9Å; H1953-E1957 VanDerWaalsContact O-N 3.09Å; Y1954-E1957 PolarHBondContact O-N 3.32Å; E1957-S1959 PolarHBondContact O-N 3.34Å; E1957-R1960 PolarHBondContact O-N 2.92Å; E1957-R1960 IonicContact OE1-NE 3.66Å; E1957-R1960 PolarHBondContact OE1-NE 2.98Å; E1957-R1960 IonicContact OE2-CZ 3.42Å; E1957-R1960 VanDerWaalsContact OE2-CZ 3.23Å; E1957-R1960 IonicContact OE2-NE 2.75Å; E1957-R1960 PolarHBondContact OE2-NE 3.31Å; E1957-R1960 IonicContact OE2-NH2 3.51Å; E1957-R1960 PolarHBondContact OE2-NH2 2.92Å; E1957-L1961 WeakPolarHBondContact O-CB 3.32Å; E1957-L1961 VanDerWaalsContact O-CG 3.24Å; E1957-L1961 WeakPolarHBondContact O-CG 3.32Å; E1957-L1961 PolarHBondContact O-N 2.97Å |
| 1958 | I | 89 | Confident | 83.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.4 | -48 | 173.1 | -72.2 | 167.4 | 0 | 0 | 0 | 110.9 | Y1954 R1960 L1961 A1962 L1983 N1986 L1990 L2017 T2051 V2055 | Y1954-I1958 WeakPolarHBondContact O-CB 3.47Å; Y1954-I1958 VanDerWaalsContact O-CG1 3.28Å; Y1954-I1958 WeakPolarHBondContact O-CG1 3.44Å; Y1954-I1958 PolarHBondContact O-N 3.11Å; I1958-R1960 PolarHBondContact O-N 2.71Å; I1958-L1961 PolarHBondContact O-N 3.24Å; I1958-A1962 WeakPolarHBondContact O-CB 3.41Å; I1958-A1962 PolarHBondContact O-N 3.12Å; I1958-L1983 HydrophobicContact CB-CD1 4.2Å; I1958-L1983 HydrophobicContact CG1-CD1 4.26Å; I1958-L1983 HydrophobicContact CG2-CD1 3.82Å; I1958-N1986 HydrophobicContact CD1-CB 4.24Å; I1958-N1986 HydrophobicContact CG1-CB 3.76Å; I1958-L1990 HydrophobicContact CD1-CD2 3.93Å; I1958-L2017 HydrophobicContact CD1-CD2 4.31Å; I1958-L2017 HydrophobicContact CG2-CD1 4.14Å; I1958-T2051 HydrophobicContact CG2-CG2 4Å; I1958-V2055 HydrophobicContact CB-CG2 4.38Å; I1958-V2055 HydrophobicContact CG2-CG2 3.79Å |
| 1959 | S | 86.9 | Confident | 82.9 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 17% | 0.168 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | C1955 K1956 E1957 Q1963 | C1955-S1959 WeakPolarHBondContact O-CB 3.44Å; C1955-S1959 PolarHBondContact O-N 3.18Å; C1955-S1959 VanDerWaalsContact O-N 3.11Å; K1956-S1959 PolarHBondContact O-N 3.36Å; E1957-S1959 PolarHBondContact O-N 3.34Å; S1959-Q1963 WeakPolarHBondContact O-CG 3.2Å; S1959-Q1963 PolarHBondContact O-N 3.42Å; S1959-Q1963 VanDerWaalsContact O-N 3.11Å |
| 1960 | R | 83.7 | Confident | 82.8 | Confident | 106 Ų | 106 | 47.8 Ų | 47.8 | 40% | 0.4 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 176.9 | -169.2 | -170.6 | 66 | 66.3 | 2.9 | 112.2 | K1956 E1957 I1958 Q1963 E1964 | K1956-R1960 WeakPolarHBondContact O-CB 3.49Å; K1956-R1960 PolarHBondContact O-N 3.05Å; E1957-R1960 PolarHBondContact O-N 2.92Å; E1957-R1960 IonicContact OE1-NE 3.66Å; E1957-R1960 PolarHBondContact OE1-NE 2.98Å; E1957-R1960 IonicContact OE2-CZ 3.42Å; E1957-R1960 VanDerWaalsContact OE2-CZ 3.23Å; E1957-R1960 IonicContact OE2-NE 2.75Å; E1957-R1960 PolarHBondContact OE2-NE 3.31Å; E1957-R1960 IonicContact OE2-NH2 3.51Å; E1957-R1960 PolarHBondContact OE2-NH2 2.92Å; I1958-R1960 PolarHBondContact O-N 2.71Å; R1960-Q1963 PolarHBondContact O-N 3.12Å; R1960-E1964 IonicContact CZ-OE2 3.19Å; R1960-E1964 IonicContact NH1-OE2 2.7Å; R1960-E1964 PolarHBondContact NH1-OE2 3.14Å; R1960-E1964 WeakPolarHBondContact O-CB 3.5Å; R1960-E1964 PolarHBondContact O-N 3.32Å |
| 1961 | L | 86.9 | Confident | 82.3 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.4 | -45.5 | -179.9 | -71.5 | 168.8 | 0 | 0 | 0 | 111.5 | E1957 I1958 Q1963 E1964 M1965 L1979 D1982 L1983 | E1957-L1961 WeakPolarHBondContact O-CB 3.32Å; E1957-L1961 VanDerWaalsContact O-CG 3.24Å; E1957-L1961 WeakPolarHBondContact O-CG 3.32Å; E1957-L1961 PolarHBondContact O-N 2.97Å; I1958-L1961 PolarHBondContact O-N 3.24Å; L1961-Q1963 VanDerWaalsContact C-N 3.32Å; L1961-Q1963 PolarHBondContact O-N 3.14Å; L1961-E1964 PolarHBondContact O-N 2.96Å; L1961-M1965 WeakPolarHBondContact O-CG 3.13Å; L1961-M1965 PolarHBondContact O-N 3Å; L1961-L1979 HydrophobicContact CD2-CD2 3.63Å; L1961-D1982 HydrophobicContact CD1-CB 4.1Å; L1961-D1982 HydrophobicContact CD2-CB 4.48Å; L1961-L1983 HydrophobicContact CB-CD1 4.17Å; L1961-L1983 HydrophobicContact CD1-CB 4.39Å |
| 1962 | A | 87.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1958 E1964 L2024 A2048 T2051 | I1958-A1962 WeakPolarHBondContact O-CB 3.41Å; I1958-A1962 PolarHBondContact O-N 3.12Å; A1962-E1964 VanDerWaalsContact C-N 3.35Å; A1962-E1964 PolarHBondContact O-N 2.75Å; A1962-L2024 HydrophobicContact CB-CD2 3.6Å; A1962-A2048 HydrophobicContact CB-CB 4.5Å; A1962-T2051 HydrophobicContact CB-CG2 4.05Å |
| 1963 | Q | 82.1 | Confident | 81.4 | Confident | 119 Ų | 119 | 51 Ų | 51 | 56% | 0.556 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -68.6 | -28.8 | 174.8 | -70.5 | -180 | -5.1 | 0 | 0 | 113.4 | S1959 R1960 L1961 P1967 V2052 | S1959-Q1963 WeakPolarHBondContact O-CG 3.2Å; S1959-Q1963 PolarHBondContact O-N 3.42Å; S1959-Q1963 VanDerWaalsContact O-N 3.11Å; R1960-Q1963 PolarHBondContact O-N 3.12Å; L1961-Q1963 VanDerWaalsContact C-N 3.32Å; L1961-Q1963 PolarHBondContact O-N 3.14Å; Q1963-P1967 WeakPolarHBondContact O-CD 3.01Å; Q1963-V2052 HydrophobicContact CG-CG2 4.09Å |
| 1964 | E | 80.3 | Confident | 81.1 | Confident | 60 Ų | 60 | 52.5 Ų | 52.5 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -75.9 | -31.5 | 178.5 | -171 | 172.5 | 177.6 | 0 | 0 | 113 | R1960 L1961 A1962 V1966 P1967 K1968 L1979 | R1960-E1964 IonicContact CZ-OE2 3.19Å; R1960-E1964 IonicContact NH1-OE2 2.7Å; R1960-E1964 PolarHBondContact NH1-OE2 3.14Å; R1960-E1964 WeakPolarHBondContact O-CB 3.5Å; R1960-E1964 PolarHBondContact O-N 3.32Å; L1961-E1964 PolarHBondContact O-N 2.96Å; A1962-E1964 VanDerWaalsContact C-N 3.35Å; A1962-E1964 PolarHBondContact O-N 2.75Å; E1964-V1966 VanDerWaalsContact C-N 3.3Å; E1964-V1966 PolarHBondContact O-N 3.39Å; E1964-P1967 VanDerWaalsContact O-CD 3.28Å; E1964-P1967 WeakPolarHBondContact O-CD 3.17Å; E1964-P1967 WeakPolarHBondContact O-CG 3.18Å; E1964-K1968 HydrophobicContact CG-CG 4.27Å; E1964-K1968 WeakPolarHBondContact O-CB 3.02Å; E1964-K1968 WeakPolarHBondContact O-CG 3.43Å; E1964-K1968 PolarHBondContact O-N 3.28Å; E1964-L1979 HydrophobicContact CB-CD1 4.41Å; E1964-L1979 HydrophobicContact CG-CD1 4.03Å; E1964-L1979 HydrophobicContact CG-CD2 4.33Å |
| 1965 | M | 83.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -33.9 | 179.6 | -69.5 | 168.6 | 79.6 | 0 | 0 | 113 | L1961 S1969 I1976 L1979 A1980 L1983 L2024 A2028 L2044 | L1961-M1965 WeakPolarHBondContact O-CG 3.13Å; L1961-M1965 PolarHBondContact O-N 3Å; M1965-S1969 PolarHBondContact O-N 2.64Å; M1965-I1976 HydrophobicContact CE-CG2 4.04Å; M1965-L1979 HydrophobicContact CG-CB 3.76Å; M1965-L1979 HydrophobicContact CG-CD1 3.87Å; M1965-L1979 HydrophobicContact CG-CG 4.46Å; M1965-L1979 HydrophobicContact SD-CB 4.35Å; M1965-A1980 HydrophobicContact CE-CB 4.17Å; M1965-L1983 HydrophobicContact SD-CD2 4.23Å; M1965-L2024 HydrophobicContact CE-CG 4.46Å; M1965-L2024 HydrophobicContact SD-CD2 4.28Å; M1965-L2024 HydrophobicContact SD-CG 4.36Å; M1965-A2028 HydrophobicContact CE-CB 3.35Å; M1965-L2044 HydrophobicContact CE-CD1 4.44Å |
| 1966 | V | 82.6 | Confident | 80.3 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -58.9 | -179.2 | -177 | 0 | 0 | 0 | 0 | 112.9 | E1964 K1968 S1969 Y1970 A2045 A2048 | E1964-V1966 VanDerWaalsContact C-N 3.3Å; E1964-V1966 PolarHBondContact O-N 3.39Å; V1966-K1968 VanDerWaalsContact C-N 3.28Å; V1966-K1968 PolarHBondContact O-N 2.66Å; V1966-S1969 WeakPolarHBondContact O-CB 3.38Å; V1966-S1969 PolarHBondContact O-N 3.38Å; V1966-S1969 VanDerWaalsContact O-N 3.12Å; V1966-S1969 PolarHBondContact O-OG 2.93Å; V1966-Y1970 HydrophobicContact CG1-CE2 4.34Å; V1966-Y1970 WeakPolarHBondContact O-CD2 3.46Å; V1966-A2045 HydrophobicContact CG1-CB 4.14Å; V1966-A2045 HydrophobicContact CG2-CB 4.39Å; V1966-A2048 HydrophobicContact CG2-CB 3.63Å |
| 1967 | P | 71.1 | Confident | 80.1 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 28% | 0.279 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.6 | -28.4 | 178 | 26.6 | -35.2 | 0 | 0 | 0 | 113 | Q1963 E1964 S1969 Y1970 S1971 | Q1963-P1967 WeakPolarHBondContact O-CD 3.01Å; E1964-P1967 VanDerWaalsContact O-CD 3.28Å; E1964-P1967 WeakPolarHBondContact O-CD 3.17Å; E1964-P1967 WeakPolarHBondContact O-CG 3.18Å; P1967-S1969 VanDerWaalsContact C-N 3.33Å; P1967-Y1970 PolarHBondContact O-N 3.49Å; P1967-S1971 PolarHBondContact O-N 3Å; P1967-S1971 PolarHBondContact O-OG 2.96Å |
| 1968 | K | 78.2 | Confident | 79.7 | Confident | 56 Ų | 56 | 48 Ų | 48 | 24% | 0.243 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -36.8 | 172.5 | -69.7 | -73.7 | -167.6 | 166.1 | 0 | 111.6 | E1964 V1966 Y1970 S1971 N1972 D1975 I1976 L1979 | E1964-K1968 HydrophobicContact CG-CG 4.27Å; E1964-K1968 WeakPolarHBondContact O-CB 3.02Å; E1964-K1968 WeakPolarHBondContact O-CG 3.43Å; E1964-K1968 PolarHBondContact O-N 3.28Å; V1966-K1968 VanDerWaalsContact C-N 3.28Å; V1966-K1968 PolarHBondContact O-N 2.66Å; K1968-Y1970 PolarHBondContact O-N 2.99Å; K1968-Y1970 VanDerWaalsContact O-N 3.12Å; K1968-S1971 PolarHBondContact O-N 2.93Å; K1968-N1972 CarbonylContact O-C 3.51Å; K1968-N1972 PolarHBondContact O-N 3.17Å; K1968-N1972 VanDerWaalsContact O-O 3.12Å; K1968-D1975 HydrophobicContact CD-CB 4.13Å; K1968-D1975 WeakPolarHBondContact CD-OD2 3.33Å; K1968-D1975 IonicContact NZ-OD2 2.6Å; K1968-D1975 PolarHBondContact NZ-OD2 3.39Å; K1968-I1976 HydrophobicContact CB-CG1 4.2Å; K1968-L1979 HydrophobicContact CB-CD1 4.46Å; K1968-L1979 HydrophobicContact CG-CD1 4.02Å |
| 1969 | S | 77.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -22.6 | 175.8 | 82 | 0 | 0 | 0 | 0 | 115.4 | M1965 V1966 P1967 V1973 K2041 | M1965-S1969 PolarHBondContact O-N 2.64Å; V1966-S1969 WeakPolarHBondContact O-CB 3.38Å; V1966-S1969 PolarHBondContact O-N 3.38Å; V1966-S1969 VanDerWaalsContact O-N 3.12Å; V1966-S1969 PolarHBondContact O-OG 2.93Å; P1967-S1969 VanDerWaalsContact C-N 3.33Å; S1969-V1973 WeakPolarHBondContact O-CG2 3.35Å; S1969-K2041 WeakPolarHBondContact O-CE 3.44Å; S1969-K2041 PolarHBondContact O-NZ 3.02Å |
| 1970 | Y | 71.8 | Confident | 79.3 | Confident | 137 Ų | 137 | 47.8 Ų | 47.8 | 54% | 0.537 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -94.6 | -16.2 | 175 | -65.5 | -79.1 | 0 | 0 | 0 | 113.9 | V1966 P1967 K1968 K2041 | V1966-Y1970 HydrophobicContact CG1-CE2 4.34Å; V1966-Y1970 WeakPolarHBondContact O-CD2 3.46Å; P1967-Y1970 PolarHBondContact O-N 3.49Å; K1968-Y1970 PolarHBondContact O-N 2.99Å; K1968-Y1970 VanDerWaalsContact O-N 3.12Å; Y1970-K2041 HydrophobicContact CD1-CD 4.46Å; Y1970-K2041 HydrophobicContact CE1-CD 4.23Å |
| 1971 | S | 71.5 | Confident | 79.1 | Confident | 94 Ų | 94 | 44.1 Ų | 44.1 | 66% | 0.657 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -122.3 | -50.4 | -168.8 | 56.1 | 0 | 0 | 0 | 0 | 114.4 | P1967 K1968 | P1967-S1971 PolarHBondContact O-N 3Å; P1967-S1971 PolarHBondContact O-OG 2.96Å; K1968-S1971 PolarHBondContact O-N 2.93Å |
| 1972 | N | 73.6 | Confident | 78.9 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 31% | 0.305 | 25% | 0.252 | S | S | . | . | trans | -144.2 | 99 | 176 | -170.7 | 19.1 | 0 | 0 | 0 | 110.9 | K1968 E1974 D1975 | K1968-N1972 CarbonylContact O-C 3.51Å; K1968-N1972 PolarHBondContact O-N 3.17Å; K1968-N1972 VanDerWaalsContact O-O 3.12Å; N1972-E1974 VanDerWaalsContact C-N 3.27Å; N1972-E1974 PolarHBondContact O-N 2.73Å; N1972-D1975 PolarHBondContact ND2-OD1 2.71Å; N1972-D1975 PolarHBondContact ND2-OD2 2.66Å | ||
| 1973 | V | 77.6 | Confident | 79 | Confident | 23 Ų | 23 | 47.1 Ų | 47.1 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -73.2 | -19.7 | -176.5 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | S1969 D1975 I1976 R2032 P2035 | S1969-V1973 WeakPolarHBondContact O-CG2 3.35Å; V1973-D1975 VanDerWaalsContact C-N 3.35Å; V1973-D1975 PolarHBondContact O-N 2.7Å; V1973-I1976 HydrophobicContact CG1-CD1 4.32Å; V1973-I1976 WeakPolarHBondContact O-CB 3.17Å; V1973-I1976 PolarHBondContact O-N 2.88Å; V1973-R2032 HydrophobicContact CG1-CB 4.35Å; V1973-P2035 HydrophobicContact CB-CB 4.42Å; V1973-P2035 HydrophobicContact CG1-CB 4.2Å; V1973-P2035 HydrophobicContact CG1-CG 4.16Å; V1973-P2035 HydrophobicContact CG2-CB 4.22Å |
| 1974 | E | 74.8 | Confident | 79.2 | Confident | 143 Ų | 143 | 42.6 Ų | 42.6 | 67% | 0.668 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -68.3 | -32.4 | -178.9 | -62.5 | 179.4 | -180 | 0 | 0 | 112.8 | N1972 I1976 R2032 | N1972-E1974 VanDerWaalsContact C-N 3.27Å; N1972-E1974 PolarHBondContact O-N 2.73Å; E1974-I1976 VanDerWaalsContact C-N 3.25Å; E1974-I1976 PolarHBondContact O-N 3.34Å; E1974-R2032 PolarHBondContact O-NH1 3.34Å; E1974-R2032 VanDerWaalsContact O-NH1 3.15Å; E1974-R2032 PolarHBondContact O-NH2 3.26Å |
| 1975 | D | 78.2 | Confident | 79.4 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -68.6 | -22.9 | 179.4 | -64 | -21 | 0 | 0 | 0 | 112.7 | K1968 N1972 V1973 G1977 A1978 L1979 | K1968-D1975 HydrophobicContact CD-CB 4.13Å; K1968-D1975 WeakPolarHBondContact CD-OD2 3.33Å; K1968-D1975 IonicContact NZ-OD2 2.6Å; K1968-D1975 PolarHBondContact NZ-OD2 3.39Å; N1972-D1975 PolarHBondContact ND2-OD1 2.71Å; N1972-D1975 PolarHBondContact ND2-OD2 2.66Å; V1973-D1975 VanDerWaalsContact C-N 3.35Å; V1973-D1975 PolarHBondContact O-N 2.7Å; D1975-G1977 VanDerWaalsContact C-N 3.27Å; D1975-G1977 PolarHBondContact O-N 2.93Å; D1975-A1978 PolarHBondContact O-N 2.99Å; D1975-A1978 VanDerWaalsContact O-N 3.08Å; D1975-L1979 PolarHBondContact O-N 3.34Å |
| 1976 | I | 82.4 | Confident | 79.6 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.9 | -36.8 | -171.8 | -69.2 | -177.7 | 0 | 0 | 0 | 112.1 | M1965 K1968 V1973 E1974 A1978 L1979 A1980 A2028 | M1965-I1976 HydrophobicContact CE-CG2 4.04Å; K1968-I1976 HydrophobicContact CB-CG1 4.2Å; V1973-I1976 HydrophobicContact CG1-CD1 4.32Å; V1973-I1976 WeakPolarHBondContact O-CB 3.17Å; V1973-I1976 PolarHBondContact O-N 2.88Å; E1974-I1976 VanDerWaalsContact C-N 3.25Å; E1974-I1976 PolarHBondContact O-N 3.34Å; I1976-A1978 VanDerWaalsContact C-N 3.34Å; I1976-A1978 PolarHBondContact O-N 3.25Å; I1976-L1979 PolarHBondContact O-N 3.26Å; I1976-A1980 WeakPolarHBondContact O-CB 3.38Å; I1976-A1980 PolarHBondContact O-N 3.17Å; I1976-A2028 HydrophobicContact CG2-CB 3.64Å |
| 1977 | G | 77 | Confident | 80 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71 | -27.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1914 D1975 T1981 | S1914-G1977 WeakPolarHBondContact OG-CA 3.34Å; S1914-G1977 PolarHBondContact OG-O 3.44Å; D1975-G1977 VanDerWaalsContact C-N 3.27Å; D1975-G1977 PolarHBondContact O-N 2.93Å; G1977-T1981 PolarHBondContact O-N 3.21Å; G1977-T1981 PolarHBondContact O-OG1 3.18Å |
| 1978 | A | 78.3 | Confident | 80.7 | Confident | 57 Ų | 57 | 43.6 Ų | 43.6 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71.7 | -43.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D1975 I1976 A1980 T1981 D1982 | D1975-A1978 PolarHBondContact O-N 2.99Å; D1975-A1978 VanDerWaalsContact O-N 3.08Å; I1976-A1978 VanDerWaalsContact C-N 3.34Å; I1976-A1978 PolarHBondContact O-N 3.25Å; A1978-A1980 VanDerWaalsContact C-N 3.34Å; A1978-A1980 PolarHBondContact O-N 3.12Å; A1978-T1981 PolarHBondContact O-N 3.22Å; A1978-D1982 PolarHBondContact O-N 3.29Å |
| 1979 | L | 83.6 | Confident | 81.2 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -40.9 | 174.8 | -64.3 | 172.9 | 0 | 0 | 0 | 112.2 | L1961 E1964 M1965 K1968 D1975 I1976 D1982 L1983 | L1961-L1979 HydrophobicContact CD2-CD2 3.63Å; E1964-L1979 HydrophobicContact CB-CD1 4.41Å; E1964-L1979 HydrophobicContact CG-CD1 4.03Å; E1964-L1979 HydrophobicContact CG-CD2 4.33Å; M1965-L1979 HydrophobicContact CG-CB 3.76Å; M1965-L1979 HydrophobicContact CG-CD1 3.87Å; M1965-L1979 HydrophobicContact CG-CG 4.46Å; M1965-L1979 HydrophobicContact SD-CB 4.35Å; K1968-L1979 HydrophobicContact CB-CD1 4.46Å; K1968-L1979 HydrophobicContact CG-CD1 4.02Å; D1975-L1979 PolarHBondContact O-N 3.34Å; I1976-L1979 PolarHBondContact O-N 3.26Å; L1979-D1982 PolarHBondContact O-N 3.5Å; L1979-L1983 VanDerWaalsContact O-CB 3.28Å; L1979-L1983 WeakPolarHBondContact O-CB 3.47Å; L1979-L1983 PolarHBondContact O-N 3.19Å |
| 1980 | A | 84.9 | Confident | 81.8 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1922 M1965 I1976 A1978 L1983 M1984 I2025 | L1922-A1980 HydrophobicContact CD1-CB 4.14Å; M1965-A1980 HydrophobicContact CE-CB 4.17Å; I1976-A1980 WeakPolarHBondContact O-CB 3.38Å; I1976-A1980 PolarHBondContact O-N 3.17Å; A1978-A1980 VanDerWaalsContact C-N 3.34Å; A1978-A1980 PolarHBondContact O-N 3.12Å; A1980-L1983 PolarHBondContact O-N 3.34Å; A1980-M1984 WeakPolarHBondContact O-CB 3.46Å; A1980-M1984 PolarHBondContact O-N 2.86Å; A1980-I2025 HydrophobicContact CB-CG1 4.33Å; A1980-I2025 HydrophobicContact CB-CG2 4.36Å |
| 1981 | T | 79.7 | Confident | 82.5 | Confident | 29 Ų | 29 | 38.3 Ų | 38.3 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 174.4 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | L1922 G1977 A1978 M1984 K1985 | L1922-T1981 HydrophobicContact CD2-CG2 4.49Å; G1977-T1981 PolarHBondContact O-N 3.21Å; G1977-T1981 PolarHBondContact O-OG1 3.18Å; A1978-T1981 PolarHBondContact O-N 3.22Å; T1981-M1984 PolarHBondContact O-N 2.97Å; T1981-K1985 WeakPolarHBondContact O-CG 3.39Å; T1981-K1985 PolarHBondContact O-N 3.08Å |
| 1982 | D | 81.2 | Confident | 83.1 | Confident | 65 Ų | 65 | 38.1 Ų | 38.1 | 35% | 0.348 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -73 | -30.6 | 177.7 | -72.1 | -17.1 | 0 | 0 | 0 | 112.7 | L1961 A1978 L1979 K1985 N1986 | L1961-D1982 HydrophobicContact CD1-CB 4.1Å; L1961-D1982 HydrophobicContact CD2-CB 4.48Å; A1978-D1982 PolarHBondContact O-N 3.29Å; L1979-D1982 PolarHBondContact O-N 3.5Å; D1982-K1985 PolarHBondContact O-N 3.13Å; D1982-K1985 IonicContact OD1-NZ 3.04Å; D1982-K1985 PolarHBondContact OD1-NZ 3.14Å; D1982-N1986 PolarHBondContact O-N 3.4Å; D1982-N1986 PolarHBondContact O-ND2 2.82Å |
| 1983 | L | 89.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 170.9 | -175.9 | 70.6 | 0 | 0 | 0 | 110.6 | I1958 L1961 M1965 L1979 A1980 N1986 Y1987 L2024 I2025 | I1958-L1983 HydrophobicContact CB-CD1 4.2Å; I1958-L1983 HydrophobicContact CG1-CD1 4.26Å; I1958-L1983 HydrophobicContact CG2-CD1 3.82Å; L1961-L1983 HydrophobicContact CB-CD1 4.17Å; L1961-L1983 HydrophobicContact CD1-CB 4.39Å; M1965-L1983 HydrophobicContact SD-CD2 4.23Å; L1979-L1983 VanDerWaalsContact O-CB 3.28Å; L1979-L1983 WeakPolarHBondContact O-CB 3.47Å; L1979-L1983 PolarHBondContact O-N 3.19Å; A1980-L1983 PolarHBondContact O-N 3.34Å; L1983-N1986 PolarHBondContact O-N 2.91Å; L1983-Y1987 PolarHBondContact O-N 3.49Å; L1983-L2024 HydrophobicContact CD2-CD2 3.66Å; L1983-L2024 HydrophobicContact CD2-CG 4.27Å; L1983-I2025 HydrophobicContact CD2-CD1 3.82Å; L1983-I2025 HydrophobicContact CD2-CG1 3.72Å; L1983-I2025 HydrophobicContact CG-CD1 4.33Å |
| 1984 | M | 87.3 | Confident | 84.1 | Confident | 25 Ų | 25 | 35 Ų | 35 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 174.3 | -176.9 | -131.8 | 67.9 | 0 | 0 | 111.8 | L1922 E1925 I1926 A1980 T1981 N1986 Y1987 C1988 | L1922-M1984 HydrophobicContact CD2-CB 4.31Å; L1922-M1984 HydrophobicContact CD2-CG 4.31Å; L1922-M1984 HydrophobicContact CD2-SD 3.59Å; L1922-M1984 VanDerWaalsContact CD2-SD 3.59Å; E1925-M1984 HydrophobicContact CB-CG 4.41Å; E1925-M1984 HydrophobicContact CB-SD 3.85Å; E1925-M1984 HydrophobicContact CG-SD 4.45Å; I1926-M1984 HydrophobicContact CD1-CB 4.13Å; I1926-M1984 HydrophobicContact CD1-CG 4.04Å; I1926-M1984 HydrophobicContact CG1-CB 4.32Å; I1926-M1984 HydrophobicContact CG1-CG 3.74Å; A1980-M1984 WeakPolarHBondContact O-CB 3.46Å; A1980-M1984 PolarHBondContact O-N 2.86Å; T1981-M1984 PolarHBondContact O-N 2.97Å; M1984-N1986 PolarHBondContact O-N 3.24Å; M1984-Y1987 PolarHBondContact O-N 3.19Å; M1984-C1988 PolarHBondContact O-N 3.39Å; M1984-C1988 PolarHBondContact O-SG 3.06Å; M1984-C1988 VanDerWaalsContact O-SG 3.36Å |
| 1985 | K | 83.9 | Confident | 84.4 | Confident | 103 Ų | 103 | 29.9 Ų | 29.9 | 45% | 0.448 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.7 | -47 | 178 | -72 | 172.6 | -166.2 | 152.4 | 0 | 112.3 | T1981 D1982 Y1987 C1988 L1989 | T1981-K1985 WeakPolarHBondContact O-CG 3.39Å; T1981-K1985 PolarHBondContact O-N 3.08Å; D1982-K1985 PolarHBondContact O-N 3.13Å; D1982-K1985 IonicContact OD1-NZ 3.04Å; D1982-K1985 PolarHBondContact OD1-NZ 3.14Å; K1985-Y1987 VanDerWaalsContact C-N 3.33Å; K1985-Y1987 PolarHBondContact O-N 3.37Å; K1985-C1988 PolarHBondContact O-N 3.45Å; K1985-L1989 WeakPolarHBondContact O-CG 3.26Å; K1985-L1989 PolarHBondContact O-N 2.68Å; K1985-L1989 VanDerWaalsContact O-N 3.16Å |
| 1986 | N | 87.8 | Confident | 84.4 | Confident | 25 Ų | 25 | 27.4 Ų | 27.4 | 13% | 0.134 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.2 | -35.5 | 179.5 | -78 | -79.5 | 0 | 0 | 0 | 112 | I1958 D1982 L1983 M1984 L1990 | I1958-N1986 HydrophobicContact CD1-CB 4.24Å; I1958-N1986 HydrophobicContact CG1-CB 3.76Å; D1982-N1986 PolarHBondContact O-N 3.4Å; D1982-N1986 PolarHBondContact O-ND2 2.82Å; L1983-N1986 PolarHBondContact O-N 2.91Å; M1984-N1986 PolarHBondContact O-N 3.24Å; N1986-L1990 WeakPolarHBondContact O-CB 3.43Å; N1986-L1990 PolarHBondContact O-N 3.43Å |
| 1987 | Y | 91.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | 174.5 | -177.2 | -93.6 | 0 | 0 | 0 | 112.5 | I1926 A1929 I1930 L1983 M1984 K1985 L1989 L1990 A1991 V2014 L2017 G2018 | I1926-Y1987 HydrophobicContact CB-CD1 4.36Å; I1926-Y1987 HydrophobicContact CG1-CD1 4.16Å; I1926-Y1987 HydrophobicContact CG2-CD1 3.76Å; I1926-Y1987 HydrophobicContact CG2-CE1 3.76Å; A1929-Y1987 HydrophobicContact CB-CD1 4.17Å; A1929-Y1987 HydrophobicContact CB-CE1 3.93Å; I1930-Y1987 HydrophobicContact CG1-CE1 4.13Å; I1930-Y1987 VanDerWaalsContact CG1-OH 3.3Å; I1930-Y1987 WeakPolarHBondContact CG1-OH 3.46Å; L1983-Y1987 PolarHBondContact O-N 3.49Å; M1984-Y1987 PolarHBondContact O-N 3.19Å; K1985-Y1987 VanDerWaalsContact C-N 3.33Å; K1985-Y1987 PolarHBondContact O-N 3.37Å; Y1987-L1989 VanDerWaalsContact C-N 3.31Å; Y1987-L1989 PolarHBondContact O-N 3.21Å; Y1987-L1990 WeakPolarHBondContact O-CB 3.38Å; Y1987-L1990 PolarHBondContact O-N 2.97Å; Y1987-L1990 VanDerWaalsContact O-N 3.13Å; Y1987-A1991 HydrophobicContact CE1-CB 4.29Å; Y1987-A1991 PolarHBondContact O-N 3.1Å; Y1987-V2014 HydrophobicContact CE2-CG1 4.23Å; Y1987-V2014 WeakPolarHBondContact CE2-O 3.5Å; Y1987-V2014 PolarHBondContact OH-O 3.29Å; Y1987-L2017 HydrophobicContact CD2-CG 4.39Å; Y1987-L2017 HydrophobicContact CE2-CB 4.5Å; Y1987-L2017 HydrophobicContact CE2-CG 4.37Å; Y1987-G2018 VanDerWaalsContact CE2-N 3.33Å; Y1987-G2018 WeakPolarHBondContact OH-CA 3.49Å |
| 1988 | C | 85.7 | Confident | 84.6 | Confident | 19 Ų | 19 | 28.1 Ų | 28.1 | 13% | 0.128 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.5 | -37.5 | 178.3 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | A1929 M1984 K1985 A1991 N1992 | A1929-C1988 HydrophobicContact CB-CB 4.38Å; M1984-C1988 PolarHBondContact O-N 3.39Å; M1984-C1988 PolarHBondContact O-SG 3.06Å; M1984-C1988 VanDerWaalsContact O-SG 3.36Å; K1985-C1988 PolarHBondContact O-N 3.45Å; C1988-A1991 PolarHBondContact O-N 3.28Å; C1988-N1992 PolarHBondContact O-N 3.45Å; C1988-N1992 VanDerWaalsContact O-N 3.11Å |
| 1989 | L | 87.4 | Confident | 84.3 | Confident | 82 Ų | 82 | 28.5 Ų | 28.5 | 43% | 0.429 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 172.5 | -68.6 | 173.5 | 0 | 0 | 0 | 112.3 | Y1954 K1985 Y1987 N1992 D1993 | Y1954-L1989 HydrophobicContact CD1-CB 4.31Å; Y1954-L1989 HydrophobicContact CD1-CD1 4.37Å; Y1954-L1989 HydrophobicContact CD2-CB 4.1Å; Y1954-L1989 HydrophobicContact CE1-CB 4.03Å; Y1954-L1989 HydrophobicContact CE1-CD1 3.74Å; Y1954-L1989 HydrophobicContact CE2-CB 3.79Å; Y1954-L1989 HydrophobicContact CG-CB 4.38Å; K1985-L1989 WeakPolarHBondContact O-CG 3.26Å; K1985-L1989 PolarHBondContact O-N 2.68Å; K1985-L1989 VanDerWaalsContact O-N 3.16Å; Y1987-L1989 VanDerWaalsContact C-N 3.31Å; Y1987-L1989 PolarHBondContact O-N 3.21Å; L1989-N1992 PolarHBondContact O-N 3.26Å; L1989-D1993 PolarHBondContact O-N 3.35Å |
| 1990 | L | 91 | Very high | 83.9 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 175.2 | -179.6 | 65.5 | 0 | 0 | 0 | 111.9 | M1951 Y1954 I1958 N1986 Y1987 N1992 D1993 T1994 V2014 L2017 | M1951-L1990 HydrophobicContact CB-CD1 3.72Å; M1951-L1990 HydrophobicContact CE-CD1 3.71Å; M1951-L1990 HydrophobicContact CG-CD1 3.85Å; Y1954-L1990 HydrophobicContact CD2-CB 4.41Å; I1958-L1990 HydrophobicContact CD1-CD2 3.93Å; N1986-L1990 WeakPolarHBondContact O-CB 3.43Å; N1986-L1990 PolarHBondContact O-N 3.43Å; Y1987-L1990 WeakPolarHBondContact O-CB 3.38Å; Y1987-L1990 PolarHBondContact O-N 2.97Å; Y1987-L1990 VanDerWaalsContact O-N 3.13Å; L1990-N1992 PolarHBondContact O-N 3.41Å; L1990-D1993 PolarHBondContact O-N 2.85Å; L1990-T1994 WeakPolarHBondContact O-CB 3.3Å; L1990-T1994 PolarHBondContact O-N 3.43Å; L1990-T1994 PolarHBondContact O-OG1 3.46Å; L1990-V2014 HydrophobicContact CD2-CG1 4.49Å; L1990-V2014 HydrophobicContact CD2-CG2 4.43Å; L1990-V2014 HydrophobicContact CG-CG1 4.34Å; L1990-V2014 HydrophobicContact CG-CG2 4.37Å; L1990-L2017 HydrophobicContact CD2-CD2 3.59Å |
| 1991 | A | 86.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1929 T1933 Y1987 C1988 T1994 | A1929-A1991 HydrophobicContact CB-CB 3.96Å; T1933-A1991 HydrophobicContact CG2-CB 3.88Å; Y1987-A1991 HydrophobicContact CE1-CB 4.29Å; Y1987-A1991 PolarHBondContact O-N 3.1Å; C1988-A1991 PolarHBondContact O-N 3.28Å; A1991-T1994 WeakPolarHBondContact O-CB 3.49Å; A1991-T1994 PolarHBondContact O-N 3.44Å |
| 1992 | N | 84.1 | Confident | 82.9 | Confident | 90 Ų | 90 | 34.4 Ų | 34.4 | 48% | 0.481 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.1 | -49.1 | 176 | -171.8 | 45.3 | 0 | 0 | 0 | 112.2 | C1988 L1989 L1990 T1994 R1995 | C1988-N1992 PolarHBondContact O-N 3.45Å; C1988-N1992 VanDerWaalsContact O-N 3.11Å; L1989-N1992 PolarHBondContact O-N 3.26Å; L1990-N1992 PolarHBondContact O-N 3.41Å; N1992-T1994 PolarHBondContact O-N 2.85Å; N1992-R1995 PolarHBondContact O-N 3.18Å |
| 1993 | D | 84.9 | Confident | 82.1 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -25.8 | 176.7 | -92.6 | -14.4 | 0 | 0 | 0 | 112.6 | Y1947 R1950 M1951 Y1954 L1989 L1990 R1995 G1996 A1997 | Y1947-D1993 HydrophobicContact CD1-CB 4.13Å; Y1947-D1993 WeakPolarHBondContact CD1-OD1 3.22Å; R1950-D1993 WeakPolarHBondContact CB-OD2 3.35Å; R1950-D1993 IonicContact CZ-OD1 2.8Å; R1950-D1993 IonicContact CZ-OD2 2.77Å; R1950-D1993 IonicContact NE-OD1 3.72Å; R1950-D1993 PolarHBondContact NE-OD1 2.92Å; R1950-D1993 IonicContact NE-OD2 3.23Å; R1950-D1993 PolarHBondContact NE-OD2 2.99Å; R1950-D1993 IonicContact NH2-OD1 3.78Å; R1950-D1993 PolarHBondContact NH2-OD1 3.22Å; R1950-D1993 IonicContact NH2-OD2 3.68Å; M1951-D1993 HydrophobicContact CG-CB 3.75Å; M1951-D1993 HydrophobicContact SD-CB 4.37Å; Y1954-D1993 WeakPolarHBondContact CE2-OD2 3.06Å; L1989-D1993 PolarHBondContact O-N 3.35Å; L1990-D1993 PolarHBondContact O-N 2.85Å; D1993-R1995 VanDerWaalsContact C-N 3.34Å; D1993-R1995 PolarHBondContact O-N 2.86Å; D1993-G1996 PolarHBondContact O-N 2.93Å; D1993-A1997 PolarHBondContact O-N 3.37Å |
| 1994 | T | 87.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.2 | -41.5 | 173.9 | -63.9 | 0 | 0 | 0 | 0 | 112 | T1933 M1951 L1990 A1991 N1992 G1996 A1997 C1998 I2010 V2014 | T1933-T1994 HydrophobicContact CG2-CG2 4.5Å; M1951-T1994 WeakPolarHBondContact CE-OG1 3.4Å; L1990-T1994 WeakPolarHBondContact O-CB 3.3Å; L1990-T1994 PolarHBondContact O-N 3.43Å; L1990-T1994 PolarHBondContact O-OG1 3.46Å; A1991-T1994 WeakPolarHBondContact O-CB 3.49Å; A1991-T1994 PolarHBondContact O-N 3.44Å; N1992-T1994 PolarHBondContact O-N 2.85Å; T1994-G1996 VanDerWaalsContact C-N 3.28Å; T1994-G1996 PolarHBondContact O-N 3.05Å; T1994-A1997 PolarHBondContact O-N 3.01Å; T1994-C1998 WeakPolarHBondContact O-CB 3.4Å; T1994-C1998 PolarHBondContact O-N 3.12Å; T1994-C1998 PolarHBondContact O-SG 3.36Å; T1994-I2010 HydrophobicContact CG2-CG2 4.03Å; T1994-V2014 HydrophobicContact CG2-CB 4.42Å; T1994-V2014 HydrophobicContact CG2-CG2 4.37Å |
| 1995 | R | 81.2 | Confident | 80.2 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.2 | -43.9 | 176.6 | -62.9 | 166.5 | 71.5 | 139.7 | -2.4 | 111 | W1932 E1935 L1937 V1938 N1992 D1993 A1999 | W1932-R1995 VanDerWaalsContact O-CD 3.24Å; W1932-R1995 WeakPolarHBondContact O-CD 3.34Å; W1932-R1995 WeakPolarHBondContact O-CG 3.49Å; W1932-R1995 PolarHBondContact O-NH1 3.48Å; E1935-R1995 VanDerWaalsContact CB-CZ 3.47Å; E1935-R1995 VanDerWaalsContact CB-NH2 3.28Å; E1935-R1995 PolarHBondContact O-NE 3.03Å; E1935-R1995 IonicContact OE2-CZ 3.83Å; E1935-R1995 IonicContact OE2-NH1 3.77Å; E1935-R1995 PolarHBondContact OE2-NH1 3.32Å; E1935-R1995 IonicContact OE2-NH2 2.67Å; E1935-R1995 PolarHBondContact OE2-NH2 2.88Å; L1937-R1995 PolarHBondContact O-NE 2.85Å; L1937-R1995 PolarHBondContact O-NH2 3.49Å; V1938-R1995 HydrophobicContact CG2-CB 3.52Å; N1992-R1995 PolarHBondContact O-N 3.18Å; D1993-R1995 VanDerWaalsContact C-N 3.34Å; D1993-R1995 PolarHBondContact O-N 2.86Å; R1995-A1999 WeakPolarHBondContact O-CB 3.44Å; R1995-A1999 PolarHBondContact O-N 3.32Å; R1995-A1999 VanDerWaalsContact O-N 3.09Å |
| 1996 | G | 78.1 | Confident | 79.7 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.8 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1993 T1994 A1999 T2000 | D1993-G1996 PolarHBondContact O-N 2.93Å; T1994-G1996 VanDerWaalsContact C-N 3.28Å; T1994-G1996 PolarHBondContact O-N 3.05Å; G1996-A1999 PolarHBondContact O-N 3.42Å; G1996-T2000 WeakPolarHBondContact O-CB 3.38Å; G1996-T2000 WeakPolarHBondContact O-CG2 3.29Å; G1996-T2000 PolarHBondContact O-N 2.7Å; G1996-T2000 VanDerWaalsContact O-N 3.09Å; G1996-T2000 PolarHBondContact O-OG1 2.97Å |
| 1997 | A | 81.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1944 M1951 D1993 T1994 T2000 A2001 | Y1944-A1997 HydrophobicContact CE2-CB 4.48Å; M1951-A1997 HydrophobicContact SD-CB 3.55Å; M1951-A1997 VanDerWaalsContact SD-CB 3.55Å; D1993-A1997 PolarHBondContact O-N 3.37Å; T1994-A1997 PolarHBondContact O-N 3.01Å; A1997-T2000 PolarHBondContact O-N 2.98Å; A1997-T2000 PolarHBondContact O-OG1 3.42Å; A1997-A2001 WeakPolarHBondContact O-CB 3.45Å; A1997-A2001 PolarHBondContact O-N 2.91Å |
| 1998 | C | 80.8 | Confident | 78.3 | Confident | 24 Ų | 24 | 42.2 Ų | 42.2 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 175.9 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | T1994 T2000 G2007 | T1994-C1998 WeakPolarHBondContact O-CB 3.4Å; T1994-C1998 PolarHBondContact O-N 3.12Å; T1994-C1998 PolarHBondContact O-SG 3.36Å; C1998-T2000 VanDerWaalsContact C-N 3.34Å; C1998-G2007 PolarHBondContact SG-O 3.11Å |
| 1999 | A | 73 | Confident | 77.9 | Confident | 65 Ų | 65 | 46.5 Ų | 46.5 | 54% | 0.537 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73 | -22.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | R1995 G1996 | R1995-A1999 WeakPolarHBondContact O-CB 3.44Å; R1995-A1999 PolarHBondContact O-N 3.32Å; R1995-A1999 VanDerWaalsContact O-N 3.09Å; G1996-A1999 PolarHBondContact O-N 3.42Å |
| 2000 | T | 75.8 | Confident | 77.7 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -107.4 | -3.6 | -176.6 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | V1941 G1942 Y1947 G1996 A1997 C1998 | V1941-T2000 HydrophobicContact CG1-CG2 3.3Å; G1942-T2000 WeakPolarHBondContact O-CG2 3.36Å; Y1947-T2000 HydrophobicContact CE2-CG2 4.21Å; G1996-T2000 WeakPolarHBondContact O-CB 3.38Å; G1996-T2000 WeakPolarHBondContact O-CG2 3.29Å; G1996-T2000 PolarHBondContact O-N 2.7Å; G1996-T2000 VanDerWaalsContact O-N 3.09Å; G1996-T2000 PolarHBondContact O-OG1 2.97Å; A1997-T2000 PolarHBondContact O-N 2.98Å; A1997-T2000 PolarHBondContact O-OG1 3.42Å; C1998-T2000 VanDerWaalsContact C-N 3.34Å |
| 2001 | A | 72.9 | Confident | 77.2 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | trans | -63.2 | 138.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1944 A1997 S2003 V2006 | Y1944-A2001 HydrophobicContact CE2-CB 4.23Å; A1997-A2001 WeakPolarHBondContact O-CB 3.45Å; A1997-A2001 PolarHBondContact O-N 2.91Å; A2001-S2003 PolarHBondContact O-N 3.38Å; A2001-V2006 HydrophobicContact CB-CB 4.44Å; A2001-V2006 HydrophobicContact CB-CG1 4.46Å | ||
| 2002 | S | 69.1 | Low | 76.8 | Confident | 117 Ų | 117 | 47 Ų | 47 | 82% | 0.818 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -69.3 | -12 | 179 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 2003 | S | 65.9 | Low | 76.7 | Confident | 33 Ų | 33 | 43 Ų | 43 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -141 | 136.2 | 173.1 | 168.8 | 0 | 0 | 0 | 0 | 109.9 | A2001 E2005 V2006 G2007 | A2001-S2003 PolarHBondContact O-N 3.38Å; S2003-E2005 PolarHBondContact O-N 3.25Å; S2003-E2005 PolarHBondContact OG-N 2.79Å; S2003-V2006 PolarHBondContact O-N 2.95Å; S2003-V2006 VanDerWaalsContact O-N 3.09Å; S2003-G2007 PolarHBondContact O-N 3.3Å |
| 2004 | P | 67.3 | Low | 76.8 | Confident | 114 Ų | 114 | 42.3 Ų | 42.3 | 74% | 0.74 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.8 | -25.9 | 176.1 | 27.4 | -35 | 0 | 0 | 0 | 112.6 | V2006 G2007 Q2008 | P2004-V2006 VanDerWaalsContact C-N 3.32Å; P2004-V2006 PolarHBondContact O-N 3.04Å; P2004-G2007 PolarHBondContact O-N 2.93Å; P2004-Q2008 PolarHBondContact O-N 3.37Å |
| 2005 | E | 68.5 | Low | 76.6 | Confident | 134 Ų | 134 | 43.1 Ų | 43.1 | 63% | 0.626 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.8 | -37.8 | 173.5 | -62 | 178.7 | -171.8 | 0 | 0 | 112.2 | S2003 K2009 | S2003-E2005 PolarHBondContact O-N 3.25Å; S2003-E2005 PolarHBondContact OG-N 2.79Å; E2005-K2009 WeakPolarHBondContact O-CB 3.29Å; E2005-K2009 WeakPolarHBondContact O-CG 3.45Å; E2005-K2009 PolarHBondContact O-N 2.84Å |
| 2006 | V | 73.8 | Confident | 76.4 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 175.9 | 176.8 | 0 | 0 | 0 | 0 | 109.3 | A2001 S2003 P2004 Q2008 K2009 I2010 | A2001-V2006 HydrophobicContact CB-CB 4.44Å; A2001-V2006 HydrophobicContact CB-CG1 4.46Å; S2003-V2006 PolarHBondContact O-N 2.95Å; S2003-V2006 VanDerWaalsContact O-N 3.09Å; P2004-V2006 VanDerWaalsContact C-N 3.32Å; P2004-V2006 PolarHBondContact O-N 3.04Å; V2006-Q2008 PolarHBondContact O-N 3.42Å; V2006-K2009 PolarHBondContact O-N 2.71Å; V2006-I2010 HydrophobicContact CG1-CD1 3.9Å; V2006-I2010 HydrophobicContact CG1-CG1 4.47Å; V2006-I2010 VanDerWaalsContact O-CG1 3.26Å; V2006-I2010 WeakPolarHBondContact O-CG1 3.44Å; V2006-I2010 PolarHBondContact O-N 3.1Å |
| 2007 | G | 76.5 | Confident | 76.9 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.9 | -47.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1998 S2003 P2004 I2010 R2011 | C1998-G2007 PolarHBondContact SG-O 3.11Å; S2003-G2007 PolarHBondContact O-N 3.3Å; P2004-G2007 PolarHBondContact O-N 2.93Å; G2007-I2010 PolarHBondContact O-N 3.22Å; G2007-R2011 PolarHBondContact O-N 3.45Å |
| 2008 | Q | 73.2 | Confident | 77.1 | Confident | 79 Ų | 79 | 44.4 Ų | 44.4 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 179 | -174 | 64.3 | 3.2 | 0 | 0 | 112.5 | P2004 V2006 R2011 S2012 | P2004-Q2008 PolarHBondContact O-N 3.37Å; V2006-Q2008 PolarHBondContact O-N 3.42Å; Q2008-R2011 WeakPolarHBondContact O-CB 3.27Å; Q2008-R2011 PolarHBondContact O-N 2.99Å; Q2008-S2012 PolarHBondContact O-N 3.17Å; Q2008-S2012 PolarHBondContact O-OG 3.27Å |
| 2009 | K | 76.3 | Confident | 77 | Confident | 108 Ų | 108 | 45.5 Ų | 45.5 | 47% | 0.47 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.2 | -33.1 | 176.2 | -74.6 | 176.8 | -179 | 177.1 | 0 | 113.5 | E2005 V2006 S2012 A2013 M2064 | E2005-K2009 WeakPolarHBondContact O-CB 3.29Å; E2005-K2009 WeakPolarHBondContact O-CG 3.45Å; E2005-K2009 PolarHBondContact O-N 2.84Å; V2006-K2009 PolarHBondContact O-N 2.71Å; K2009-S2012 PolarHBondContact O-OG 3.02Å; K2009-A2013 WeakPolarHBondContact O-CB 3.47Å; K2009-A2013 PolarHBondContact O-N 3.44Å; K2009-M2064 HydrophobicContact CD-CE 3.88Å |
| 2010 | I | 83.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.2 | -45.1 | 171.5 | -65 | 164.6 | 0 | 0 | 0 | 109.4 | Y1944 M1951 T1994 V2006 G2007 V2014 A2061 L2062 | Y1944-I2010 HydrophobicContact CE2-CD1 4.34Å; M1951-I2010 HydrophobicContact CE-CG2 3.75Å; T1994-I2010 HydrophobicContact CG2-CG2 4.03Å; V2006-I2010 HydrophobicContact CG1-CD1 3.9Å; V2006-I2010 HydrophobicContact CG1-CG1 4.47Å; V2006-I2010 VanDerWaalsContact O-CG1 3.26Å; V2006-I2010 WeakPolarHBondContact O-CG1 3.44Å; V2006-I2010 PolarHBondContact O-N 3.1Å; G2007-I2010 PolarHBondContact O-N 3.22Å; I2010-V2014 HydrophobicContact CG2-CG2 4.43Å; I2010-V2014 WeakPolarHBondContact O-CB 3.41Å; I2010-V2014 VanDerWaalsContact O-CG2 3.28Å; I2010-V2014 WeakPolarHBondContact O-CG2 3.31Å; I2010-V2014 PolarHBondContact O-N 3.43Å; I2010-V2014 VanDerWaalsContact O-N 3.08Å; I2010-A2061 HydrophobicContact CG1-CB 3.83Å; I2010-L2062 HydrophobicContact CD1-CD2 4Å; I2010-L2062 HydrophobicContact CG1-CD2 4.32Å; I2010-L2062 HydrophobicContact CG2-CD2 4.41Å |
| 2011 | R | 81.7 | Confident | 78.1 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 20% | 0.204 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57 | -54 | 176.8 | -179.2 | -175.7 | -71.4 | 130.1 | -7.2 | 111.9 | T1933 G2007 Q2008 A2013 V2014 Q2015 | T1933-R2011 PolarHBondContact O-NE 3.37Å; G2007-R2011 PolarHBondContact O-N 3.45Å; Q2008-R2011 WeakPolarHBondContact O-CB 3.27Å; Q2008-R2011 PolarHBondContact O-N 2.99Å; R2011-A2013 PolarHBondContact O-N 3.07Å; R2011-V2014 PolarHBondContact O-N 3.22Å; R2011-Q2015 HydrophobicContact CG-CG 4.47Å; R2011-Q2015 WeakPolarHBondContact O-CG 3.39Å; R2011-Q2015 PolarHBondContact O-N 2.9Å |
| 2012 | S | 76.9 | Confident | 78.6 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -45.7 | -176.7 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | Q2008 K2009 V2014 Q2015 E2016 | Q2008-S2012 PolarHBondContact O-N 3.17Å; Q2008-S2012 PolarHBondContact O-OG 3.27Å; K2009-S2012 PolarHBondContact O-OG 3.02Å; S2012-V2014 VanDerWaalsContact C-N 3.3Å; S2012-V2014 PolarHBondContact O-N 2.84Å; S2012-Q2015 PolarHBondContact O-N 3.46Å; S2012-E2016 WeakPolarHBondContact O-CG 3.45Å; S2012-E2016 PolarHBondContact O-N 3.02Å |
| 2013 | A | 82.5 | Confident | 79.2 | Confident | 6 Ų | 6 | 39 Ų | 39 | 5% | 0.05 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.9 | -33.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | K2009 R2011 L2017 L2057 V2058 | K2009-A2013 WeakPolarHBondContact O-CB 3.47Å; K2009-A2013 PolarHBondContact O-N 3.44Å; R2011-A2013 PolarHBondContact O-N 3.07Å; A2013-L2017 WeakPolarHBondContact O-CB 3.22Å; A2013-L2017 PolarHBondContact O-N 3.16Å; A2013-L2057 HydrophobicContact CB-CB 4.2Å; A2013-V2058 VanDerWaalsContact C-CG2 3.48Å; A2013-V2058 HydrophobicContact CB-CB 4.46Å; A2013-V2058 HydrophobicContact CB-CG2 3.72Å; A2013-V2058 VanDerWaalsContact O-CG2 3.32Å; A2013-V2058 WeakPolarHBondContact O-CG2 3.33Å |
| 2014 | V | 88.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.7 | -37.7 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | T1933 M1951 Y1987 L1990 T1994 I2010 R2011 S2012 L2017 G2018 V2058 | T1933-V2014 HydrophobicContact CG2-CG1 4.37Å; M1951-V2014 HydrophobicContact CE-CG2 4.34Å; Y1987-V2014 HydrophobicContact CE2-CG1 4.23Å; Y1987-V2014 WeakPolarHBondContact CE2-O 3.5Å; Y1987-V2014 PolarHBondContact OH-O 3.29Å; L1990-V2014 HydrophobicContact CD2-CG1 4.49Å; L1990-V2014 HydrophobicContact CD2-CG2 4.43Å; L1990-V2014 HydrophobicContact CG-CG1 4.34Å; L1990-V2014 HydrophobicContact CG-CG2 4.37Å; T1994-V2014 HydrophobicContact CG2-CB 4.42Å; T1994-V2014 HydrophobicContact CG2-CG2 4.37Å; I2010-V2014 HydrophobicContact CG2-CG2 4.43Å; I2010-V2014 WeakPolarHBondContact O-CB 3.41Å; I2010-V2014 VanDerWaalsContact O-CG2 3.28Å; I2010-V2014 WeakPolarHBondContact O-CG2 3.31Å; I2010-V2014 PolarHBondContact O-N 3.43Å; I2010-V2014 VanDerWaalsContact O-N 3.08Å; R2011-V2014 PolarHBondContact O-N 3.22Å; S2012-V2014 VanDerWaalsContact C-N 3.3Å; S2012-V2014 PolarHBondContact O-N 2.84Å; V2014-L2017 PolarHBondContact O-N 3.36Å; V2014-G2018 PolarHBondContact O-N 3.43Å; V2014-V2058 HydrophobicContact CG2-CG1 3.88Å; V2014-V2058 HydrophobicContact CG2-CG2 3.85Å |
| 2015 | Q | 82.1 | Confident | 81.1 | Confident | 17 Ų | 17 | 32 Ų | 32 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 173.7 | -70.1 | 177.3 | -13 | 0 | 0 | 111.8 | I1930 T1933 D1934 R2011 S2012 G2018 T2019 | I1930-Q2015 HydrophobicContact CG2-CG 4.34Å; T1933-Q2015 WeakPolarHBondContact OG1-CG 3.42Å; T1933-Q2015 PolarHBondContact OG1-NE2 2.85Å; D1934-Q2015 PolarHBondContact OD1-NE2 3.28Å; R2011-Q2015 HydrophobicContact CG-CG 4.47Å; R2011-Q2015 WeakPolarHBondContact O-CG 3.39Å; R2011-Q2015 PolarHBondContact O-N 2.9Å; S2012-Q2015 PolarHBondContact O-N 3.46Å; Q2015-G2018 WeakPolarHBondContact O-CA 3.49Å; Q2015-G2018 PolarHBondContact O-N 3.13Å; Q2015-G2018 VanDerWaalsContact O-N 3.13Å; Q2015-T2019 PolarHBondContact O-N 3.45Å |
| 2016 | E | 77.8 | Confident | 81.7 | Confident | 63 Ų | 63 | 29.5 Ų | 29.5 | 29% | 0.294 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.1 | -73.8 | 173.9 | 177.4 | 0 | 0 | 112.4 | S2012 G2018 T2019 A2020 | S2012-E2016 WeakPolarHBondContact O-CG 3.45Å; S2012-E2016 PolarHBondContact O-N 3.02Å; E2016-G2018 PolarHBondContact O-N 3.12Å; E2016-T2019 WeakPolarHBondContact CA-OG1 3.39Å; E2016-T2019 PolarHBondContact O-N 2.89Å; E2016-T2019 VanDerWaalsContact O-N 3.14Å; E2016-T2019 PolarHBondContact O-OG1 2.91Å; E2016-A2020 PolarHBondContact O-N 3.44Å |
| 2017 | L | 88.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.7 | -35.5 | 172.4 | 178.3 | 59.1 | 0 | 0 | 0 | 112 | I1958 Y1987 L1990 A2013 V2014 A2020 C2021 T2051 V2055 V2058 | I1958-L2017 HydrophobicContact CD1-CD2 4.31Å; I1958-L2017 HydrophobicContact CG2-CD1 4.14Å; Y1987-L2017 HydrophobicContact CD2-CG 4.39Å; Y1987-L2017 HydrophobicContact CE2-CB 4.5Å; Y1987-L2017 HydrophobicContact CE2-CG 4.37Å; L1990-L2017 HydrophobicContact CD2-CD2 3.59Å; A2013-L2017 WeakPolarHBondContact O-CB 3.22Å; A2013-L2017 PolarHBondContact O-N 3.16Å; V2014-L2017 PolarHBondContact O-N 3.36Å; L2017-A2020 PolarHBondContact O-N 3.08Å; L2017-C2021 WeakPolarHBondContact O-CB 3.46Å; L2017-C2021 PolarHBondContact O-N 2.87Å; L2017-C2021 PolarHBondContact O-SG 3.05Å; L2017-T2051 HydrophobicContact CD1-CG2 3.86Å; L2017-V2055 HydrophobicContact CD1-CG2 3.69Å; L2017-V2055 HydrophobicContact CD2-CG2 3.92Å; L2017-V2055 HydrophobicContact CG-CG2 4.49Å; L2017-V2058 HydrophobicContact CB-CG2 4.37Å; L2017-V2058 HydrophobicContact CD2-CG2 4.16Å |
| 2018 | G | 84.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1987 V2014 Q2015 E2016 C2021 I2022 | Y1987-G2018 VanDerWaalsContact CE2-N 3.33Å; Y1987-G2018 WeakPolarHBondContact OH-CA 3.49Å; V2014-G2018 PolarHBondContact O-N 3.43Å; Q2015-G2018 WeakPolarHBondContact O-CA 3.49Å; Q2015-G2018 PolarHBondContact O-N 3.13Å; Q2015-G2018 VanDerWaalsContact O-N 3.13Å; E2016-G2018 PolarHBondContact O-N 3.12Å; G2018-C2021 PolarHBondContact O-N 2.83Å; G2018-I2022 WeakPolarHBondContact O-CG1 3.18Å; G2018-I2022 PolarHBondContact O-N 2.85Å |
| 2019 | T | 78.4 | Confident | 82.8 | Confident | 47 Ų | 47 | 28.5 Ų | 28.5 | 29% | 0.288 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 174.7 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | V1117 Q2015 E2016 C2021 I2022 E2023 | V1117-T2019 HydrophobicContact CG2-CG2 4.31Å; Q2015-T2019 PolarHBondContact O-N 3.45Å; E2016-T2019 WeakPolarHBondContact CA-OG1 3.39Å; E2016-T2019 PolarHBondContact O-N 2.89Å; E2016-T2019 VanDerWaalsContact O-N 3.14Å; E2016-T2019 PolarHBondContact O-OG1 2.91Å; T2019-C2021 PolarHBondContact O-N 3.42Å; T2019-I2022 WeakPolarHBondContact O-CB 3.4Å; T2019-I2022 PolarHBondContact O-N 3.25Å; T2019-E2023 PolarHBondContact O-N 3.16Å; T2019-E2023 VanDerWaalsContact O-N 3.1Å |
| 2020 | A | 82.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E2016 L2017 E2023 L2024 | E2016-A2020 PolarHBondContact O-N 3.44Å; L2017-A2020 PolarHBondContact O-N 3.08Å; A2020-E2023 PolarHBondContact O-N 2.74Å; A2020-L2024 WeakPolarHBondContact O-CB 3.43Å; A2020-L2024 PolarHBondContact O-N 2.85Å |
| 2021 | C | 88.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 174.4 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | I1926 L2017 G2018 T2019 E2023 L2024 I2025 | I1926-C2021 HydrophobicContact CD1-CB 4.34Å; L2017-C2021 WeakPolarHBondContact O-CB 3.46Å; L2017-C2021 PolarHBondContact O-N 2.87Å; L2017-C2021 PolarHBondContact O-SG 3.05Å; G2018-C2021 PolarHBondContact O-N 2.83Å; T2019-C2021 PolarHBondContact O-N 3.42Å; C2021-E2023 VanDerWaalsContact C-N 3.34Å; C2021-E2023 PolarHBondContact O-N 2.72Å; C2021-L2024 PolarHBondContact O-N 2.93Å; C2021-I2025 VanDerWaalsContact O-CB 3.28Å; C2021-I2025 WeakPolarHBondContact O-CB 3.33Å; C2021-I2025 WeakPolarHBondContact O-CD1 3.4Å; C2021-I2025 WeakPolarHBondContact O-CG1 3.34Å; C2021-I2025 PolarHBondContact O-N 3.09Å |
| 2022 | I | 83.9 | Confident | 82.1 | Confident | 14 Ų | 14 | 24.9 Ų | 24.9 | 7% | 0.072 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 174.4 | -77.7 | 166.1 | 0 | 0 | 0 | 110.9 | L1923 I1926 R1927 I1930 G2018 T2019 K2026 | L1923-I2022 HydrophobicContact CD2-CB 4.3Å; L1923-I2022 HydrophobicContact CD2-CG1 4.32Å; L1923-I2022 HydrophobicContact CD2-CG2 4.16Å; L1923-I2022 WeakPolarHBondContact CD2-O 3.3Å; I1926-I2022 HydrophobicContact CB-CG1 4.18Å; I1926-I2022 HydrophobicContact CG2-CD1 3.92Å; I1926-I2022 HydrophobicContact CG2-CG1 3.67Å; R1927-I2022 HydrophobicContact CG-CD1 3.68Å; I1930-I2022 HydrophobicContact CD1-CD1 3.8Å; G2018-I2022 WeakPolarHBondContact O-CG1 3.18Å; G2018-I2022 PolarHBondContact O-N 2.85Å; T2019-I2022 WeakPolarHBondContact O-CB 3.4Å; T2019-I2022 PolarHBondContact O-N 3.25Å; I2022-K2026 HydrophobicContact CG2-CD 4.24Å; I2022-K2026 WeakPolarHBondContact O-CB 3.42Å; I2022-K2026 VanDerWaalsContact O-CG 3.3Å; I2022-K2026 WeakPolarHBondContact O-CG 3.31Å; I2022-K2026 PolarHBondContact O-N 3.42Å |
| 2023 | E | 80.8 | Confident | 81.8 | Confident | 88 Ų | 88 | 26.2 Ų | 26.2 | 41% | 0.411 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66.2 | -49.8 | 177.3 | -68.8 | -168.3 | 178.1 | 0 | 0 | 112.2 | T2019 A2020 C2021 I2025 K2026 Y2027 | T2019-E2023 PolarHBondContact O-N 3.16Å; T2019-E2023 VanDerWaalsContact O-N 3.1Å; A2020-E2023 PolarHBondContact O-N 2.74Å; C2021-E2023 VanDerWaalsContact C-N 3.34Å; C2021-E2023 PolarHBondContact O-N 2.72Å; E2023-I2025 VanDerWaalsContact C-N 3.26Å; E2023-I2025 PolarHBondContact O-N 2.95Å; E2023-K2026 WeakPolarHBondContact O-CB 3.42Å; E2023-K2026 PolarHBondContact O-N 3.23Å; E2023-K2026 VanDerWaalsContact O-N 3.1Å; E2023-Y2027 HydrophobicContact CB-CD2 4.44Å; E2023-Y2027 HydrophobicContact CB-CE2 3.83Å; E2023-Y2027 WeakPolarHBondContact O-CD2 3.2Å; E2023-Y2027 PolarHBondContact O-N 3.23Å |
| 2024 | L | 87.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.2 | -43.4 | 177.8 | 176.5 | 61 | 0 | 0 | 0 | 111.8 | A1962 M1965 L1983 A2020 C2021 Y2027 A2028 L2044 A2048 T2051 | A1962-L2024 HydrophobicContact CB-CD2 3.6Å; M1965-L2024 HydrophobicContact CE-CG 4.46Å; M1965-L2024 HydrophobicContact SD-CD2 4.28Å; M1965-L2024 HydrophobicContact SD-CG 4.36Å; L1983-L2024 HydrophobicContact CD2-CD2 3.66Å; L1983-L2024 HydrophobicContact CD2-CG 4.27Å; A2020-L2024 WeakPolarHBondContact O-CB 3.43Å; A2020-L2024 PolarHBondContact O-N 2.85Å; C2021-L2024 PolarHBondContact O-N 2.93Å; L2024-Y2027 PolarHBondContact O-N 3.17Å; L2024-A2028 VanDerWaalsContact O-CB 3.28Å; L2024-A2028 WeakPolarHBondContact O-CB 3.43Å; L2024-A2028 PolarHBondContact O-N 3.38Å; L2024-L2044 HydrophobicContact CD1-CD1 3.65Å; L2024-L2044 HydrophobicContact CD1-CG 4.42Å; L2024-A2048 HydrophobicContact CD1-CB 4.02Å; L2024-T2051 HydrophobicContact CD2-CG2 4.26Å |
| 2025 | I | 86.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -74.2 | -35.2 | 180 | -66.4 | 165 | 0 | 0 | 0 | 111.4 | V1919 L1922 L1923 I1926 A1980 L1983 C2021 E2023 A2028 G2029 | V1919-I2025 HydrophobicContact CG1-CB 4.46Å; V1919-I2025 HydrophobicContact CG1-CG2 3.16Å; L1922-I2025 HydrophobicContact CB-CG2 4.35Å; L1922-I2025 HydrophobicContact CD1-CG2 4.37Å; L1923-I2025 HydrophobicContact CD2-CB 4.08Å; L1923-I2025 HydrophobicContact CD2-CG2 3.89Å; I1926-I2025 HydrophobicContact CD1-CD1 3.33Å; A1980-I2025 HydrophobicContact CB-CG1 4.33Å; A1980-I2025 HydrophobicContact CB-CG2 4.36Å; L1983-I2025 HydrophobicContact CD2-CD1 3.82Å; L1983-I2025 HydrophobicContact CD2-CG1 3.72Å; L1983-I2025 HydrophobicContact CG-CD1 4.33Å; C2021-I2025 VanDerWaalsContact O-CB 3.28Å; C2021-I2025 WeakPolarHBondContact O-CB 3.33Å; C2021-I2025 WeakPolarHBondContact O-CD1 3.4Å; C2021-I2025 WeakPolarHBondContact O-CG1 3.34Å; C2021-I2025 PolarHBondContact O-N 3.09Å; E2023-I2025 VanDerWaalsContact C-N 3.26Å; E2023-I2025 PolarHBondContact O-N 2.95Å; I2025-A2028 WeakPolarHBondContact O-CB 3.44Å; I2025-A2028 PolarHBondContact O-N 2.97Å; I2025-G2029 PolarHBondContact O-N 3.33Å |
| 2026 | K | 81.4 | Confident | 79.4 | Confident | 83 Ų | 83 | 37.1 Ų | 37.1 | 36% | 0.361 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 168.9 | -80.3 | 177.3 | 175.5 | -171.7 | 0 | 111.5 | E1110 L1923 I2022 E2023 G2029 A2030 | E1110-K2026 IonicContact OE2-NZ 2.8Å; L1923-K2026 HydrophobicContact CD1-CD 4.38Å; L1923-K2026 HydrophobicContact CD1-CG 3.56Å; L1923-K2026 HydrophobicContact CD2-CG 4.12Å; I2022-K2026 HydrophobicContact CG2-CD 4.24Å; I2022-K2026 WeakPolarHBondContact O-CB 3.42Å; I2022-K2026 VanDerWaalsContact O-CG 3.3Å; I2022-K2026 WeakPolarHBondContact O-CG 3.31Å; I2022-K2026 PolarHBondContact O-N 3.42Å; E2023-K2026 WeakPolarHBondContact O-CB 3.42Å; E2023-K2026 PolarHBondContact O-N 3.23Å; E2023-K2026 VanDerWaalsContact O-N 3.1Å; K2026-G2029 PolarHBondContact O-N 3.2Å; K2026-A2030 PolarHBondContact O-N 3.01Å |
| 2027 | Y | 83.9 | Confident | 79 | Confident | 69 Ų | 69 | 35.9 Ų | 35.9 | 27% | 0.271 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.1 | -37.1 | 177.7 | -56.6 | -44.1 | 0 | 0 | 0 | 112.3 | E2023 L2024 G2029 A2030 C2031 D2043 | E2023-Y2027 HydrophobicContact CB-CD2 4.44Å; E2023-Y2027 HydrophobicContact CB-CE2 3.83Å; E2023-Y2027 WeakPolarHBondContact O-CD2 3.2Å; E2023-Y2027 PolarHBondContact O-N 3.23Å; L2024-Y2027 PolarHBondContact O-N 3.17Å; Y2027-G2029 PolarHBondContact O-N 3.41Å; Y2027-A2030 PolarHBondContact O-N 3.3Å; Y2027-C2031 WeakPolarHBondContact O-CB 3.36Å; Y2027-C2031 PolarHBondContact O-N 3.09Å; Y2027-D2043 HydrophobicContact CD1-CB 3.55Å; Y2027-D2043 HydrophobicContact CD2-CB 4.12Å; Y2027-D2043 WeakPolarHBondContact CD2-O 3.41Å; Y2027-D2043 HydrophobicContact CE1-CB 3.81Å; Y2027-D2043 HydrophobicContact CE2-CB 4.35Å; Y2027-D2043 HydrophobicContact CG-CB 3.73Å |
| 2028 | A | 83.4 | Confident | 77.9 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1965 I1976 L2024 I2025 C2031 R2032 L2044 | M1965-A2028 HydrophobicContact CE-CB 3.35Å; I1976-A2028 HydrophobicContact CG2-CB 3.64Å; L2024-A2028 VanDerWaalsContact O-CB 3.28Å; L2024-A2028 WeakPolarHBondContact O-CB 3.43Å; L2024-A2028 PolarHBondContact O-N 3.38Å; I2025-A2028 WeakPolarHBondContact O-CB 3.44Å; I2025-A2028 PolarHBondContact O-N 2.97Å; A2028-C2031 PolarHBondContact O-N 2.89Å; A2028-R2032 PolarHBondContact O-N 3.3Å; A2028-L2044 HydrophobicContact CB-CD1 3.84Å |
| 2029 | G | 79.3 | Confident | 77.1 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | I2025 K2026 Y2027 C2031 R2032 A2033 | I2025-G2029 PolarHBondContact O-N 3.33Å; K2026-G2029 PolarHBondContact O-N 3.2Å; Y2027-G2029 PolarHBondContact O-N 3.41Å; G2029-C2031 VanDerWaalsContact C-N 3.3Å; G2029-C2031 PolarHBondContact O-N 3.29Å; G2029-R2032 PolarHBondContact O-N 3.3Å; G2029-A2033 WeakPolarHBondContact O-CB 3.46Å; G2029-A2033 PolarHBondContact O-N 3.07Å |
| 2030 | A | 73.9 | Confident | 76.7 | Confident | 40 Ų | 40 | 46.8 Ų | 46.8 | 33% | 0.331 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K2026 Y2027 N2034 | K2026-A2030 PolarHBondContact O-N 3.01Å; Y2027-A2030 PolarHBondContact O-N 3.3Å; A2030-N2034 PolarHBondContact O-N 2.67Å; A2030-N2034 PolarHBondContact O-ND2 3Å |
| 2031 | C | 77.5 | Confident | 76.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.1 | -40 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | Y2027 A2028 G2029 N2034 P2035 S2040 | Y2027-C2031 WeakPolarHBondContact O-CB 3.36Å; Y2027-C2031 PolarHBondContact O-N 3.09Å; A2028-C2031 PolarHBondContact O-N 2.89Å; G2029-C2031 VanDerWaalsContact C-N 3.3Å; G2029-C2031 PolarHBondContact O-N 3.29Å; C2031-N2034 CarbonylContact O-C 3.55Å; C2031-N2034 PolarHBondContact O-N 2.72Å; C2031-P2035 VanDerWaalsContact O-CA 3.3Å; C2031-P2035 WeakPolarHBondContact O-CA 3.32Å; C2031-P2035 VanDerWaalsContact O-N 3.13Å; C2031-S2040 WeakPolarHBondContact CA-OG 3.49Å |
| 2032 | R | 75.9 | Confident | 75.8 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 17% | 0.174 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 174.1 | -173.2 | 171.7 | -176.7 | 143.1 | 24 | 112.3 | S1914 E1915 V1973 E1974 A2028 G2029 N2034 | S1914-R2032 WeakPolarHBondContact O-CD 3.33Å; S1914-R2032 PolarHBondContact O-NE 3.45Å; S1914-R2032 VanDerWaalsContact O-NE 3.08Å; S1914-R2032 PolarHBondContact O-NH1 3.03Å; E1915-R2032 PolarHBondContact O-NE 3.39Å; V1973-R2032 HydrophobicContact CG1-CB 4.35Å; E1974-R2032 PolarHBondContact O-NH1 3.34Å; E1974-R2032 VanDerWaalsContact O-NH1 3.15Å; E1974-R2032 PolarHBondContact O-NH2 3.26Å; A2028-R2032 PolarHBondContact O-N 3.3Å; G2029-R2032 PolarHBondContact O-N 3.3Å; R2032-N2034 VanDerWaalsContact C-N 3.32Å |
| 2033 | A | 68.7 | Low | 75.5 | Confident | 65 Ų | 65 | 54.8 Ų | 54.8 | 54% | 0.537 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.1 | -30.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G2029 | G2029-A2033 WeakPolarHBondContact O-CB 3.46Å; G2029-A2033 PolarHBondContact O-N 3.07Å |
| 2034 | N | 68.1 | Low | 75.6 | Confident | 47 Ų | 47 | 50.6 Ų | 50.6 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | trans | -132.1 | 75.7 | 179.4 | -55.6 | -89 | 0 | 0 | 0 | 111.8 | R831 A2030 C2031 R2032 Q2036 D2037 | R831-N2034 PolarHBondContact NE-OD1 2.85Å; A2030-N2034 PolarHBondContact O-N 2.67Å; A2030-N2034 PolarHBondContact O-ND2 3Å; C2031-N2034 CarbonylContact O-C 3.55Å; C2031-N2034 PolarHBondContact O-N 2.72Å; R2032-N2034 VanDerWaalsContact C-N 3.32Å; N2034-Q2036 PolarHBondContact O-N 3.33Å; N2034-D2037 HydrophobicContact CB-CB 3.83Å; N2034-D2037 PolarHBondContact O-N 2.63Å | ||
| 2035 | P | 69.5 | Low | 75.2 | Confident | 55 Ų | 55 | 51.7 Ų | 51.7 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -7.5 | -172.8 | -27.6 | 36.4 | 0 | 0 | 0 | 116.9 | V1973 C2031 K2041 | V1973-P2035 HydrophobicContact CB-CB 4.42Å; V1973-P2035 HydrophobicContact CG1-CB 4.2Å; V1973-P2035 HydrophobicContact CG1-CG 4.16Å; V1973-P2035 HydrophobicContact CG2-CB 4.22Å; C2031-P2035 VanDerWaalsContact O-CA 3.3Å; C2031-P2035 WeakPolarHBondContact O-CA 3.32Å; C2031-P2035 VanDerWaalsContact O-N 3.13Å; P2035-K2041 VanDerWaalsContact O-CE 3.22Å; P2035-K2041 WeakPolarHBondContact O-CE 3.41Å; P2035-K2041 PolarHBondContact O-NZ 2.83Å |
| 2036 | Q | 66.3 | Low | 74.6 | Confident | 150 Ų | 150 | 54.6 Ų | 54.6 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -9.3 | -179.5 | -58.8 | -66.1 | -35.4 | 0 | 0 | 113 | N2034 H2038 | N2034-Q2036 PolarHBondContact O-N 3.33Å; Q2036-H2038 PolarHBondContact O-N 2.96Å; Q2036-H2038 VanDerWaalsContact O-N 3.17Å |
| 2037 | D | 67.6 | Low | 74.6 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | trans | -74.3 | 107.3 | -177.7 | -179.4 | -5.9 | 0 | 0 | 0 | 110.4 | N2034 F2039 S2040 K2041 | N2034-D2037 HydrophobicContact CB-CB 3.83Å; N2034-D2037 PolarHBondContact O-N 2.63Å; D2037-F2039 VanDerWaalsContact C-N 3.31Å; D2037-F2039 PolarHBondContact O-N 2.8Å; D2037-F2039 WeakPolarHBondContact OD1-CB 3.45Å; D2037-F2039 PolarHBondContact OD1-N 2.92Å; D2037-S2040 PolarHBondContact O-N 3.21Å; D2037-S2040 PolarHBondContact O-OG 3.03Å; D2037-S2040 PolarHBondContact OD1-N 3.41Å; D2037-K2041 PolarHBondContact O-N 3.18Å | ||
| 2038 | H | 67 | Low | 74.6 | Confident | 140 Ų | 140 | 47.7 Ų | 47.7 | 65% | 0.648 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.5 | -29.7 | -179.9 | -78.4 | -78 | 0 | 0 | 0 | 113.6 | Q2036 K2041 Q2042 | Q2036-H2038 PolarHBondContact O-N 2.96Å; Q2036-H2038 VanDerWaalsContact O-N 3.17Å; H2038-K2041 PolarHBondContact O-N 2.98Å; H2038-Q2042 PolarHBondContact O-N 3.09Å; H2038-Q2042 VanDerWaalsContact O-N 3.16Å |
| 2039 | F | 66.5 | Low | 74.5 | Confident | 132 Ų | 132 | 55.1 Ų | 55.1 | 58% | 0.579 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -67.6 | -45.2 | 177.3 | -66.2 | -80.5 | 0 | 0 | 0 | 110.2 | D2037 K2041 Q2042 D2043 | D2037-F2039 VanDerWaalsContact C-N 3.31Å; D2037-F2039 PolarHBondContact O-N 2.8Å; D2037-F2039 WeakPolarHBondContact OD1-CB 3.45Å; D2037-F2039 PolarHBondContact OD1-N 2.92Å; F2039-K2041 PolarHBondContact O-N 2.61Å; F2039-K2041 VanDerWaalsContact O-N 3.13Å; F2039-Q2042 PolarHBondContact O-N 3.17Å; F2039-D2043 PolarHBondContact O-N 3.34Å |
| 2040 | S | 71.5 | Confident | 74.4 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.4 | -28.8 | 176.9 | 76.9 | 0 | 0 | 0 | 0 | 113.9 | C2031 D2037 L2044 | C2031-S2040 WeakPolarHBondContact CA-OG 3.49Å; D2037-S2040 PolarHBondContact O-N 3.21Å; D2037-S2040 PolarHBondContact O-OG 3.03Å; D2037-S2040 PolarHBondContact OD1-N 3.41Å; S2040-L2044 VanDerWaalsContact O-CB 3.3Å; S2040-L2044 WeakPolarHBondContact O-CB 3.29Å; S2040-L2044 PolarHBondContact O-N 2.85Å; S2040-L2044 VanDerWaalsContact O-N 3.13Å |
| 2041 | K | 76.1 | Confident | 75 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 9% | 0.087 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -80.9 | -30.2 | 176.7 | -63.7 | -175.2 | -169.9 | -164.5 | 0 | 113.2 | S1969 Y1970 P2035 D2037 H2038 F2039 A2045 | S1969-K2041 WeakPolarHBondContact O-CE 3.44Å; S1969-K2041 PolarHBondContact O-NZ 3.02Å; Y1970-K2041 HydrophobicContact CD1-CD 4.46Å; Y1970-K2041 HydrophobicContact CE1-CD 4.23Å; P2035-K2041 VanDerWaalsContact O-CE 3.22Å; P2035-K2041 WeakPolarHBondContact O-CE 3.41Å; P2035-K2041 PolarHBondContact O-NZ 2.83Å; D2037-K2041 PolarHBondContact O-N 3.18Å; H2038-K2041 PolarHBondContact O-N 2.98Å; F2039-K2041 PolarHBondContact O-N 2.61Å; F2039-K2041 VanDerWaalsContact O-N 3.13Å; K2041-A2045 PolarHBondContact O-N 3.17Å |
| 2042 | Q | 75.5 | Confident | 75.2 | Confident | 113 Ų | 113 | 58.6 Ų | 58.6 | 53% | 0.528 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.1 | -48.9 | 171.9 | -176.5 | 173.6 | -14.3 | 0 | 0 | 110.4 | H2038 F2039 L2044 A2045 D2046 | H2038-Q2042 PolarHBondContact O-N 3.09Å; H2038-Q2042 VanDerWaalsContact O-N 3.16Å; F2039-Q2042 PolarHBondContact O-N 3.17Å; Q2042-L2044 PolarHBondContact O-N 2.87Å; Q2042-A2045 WeakPolarHBondContact O-CA 3.41Å; Q2042-A2045 WeakPolarHBondContact O-CB 3.28Å; Q2042-A2045 PolarHBondContact O-N 3.13Å; Q2042-D2046 PolarHBondContact O-N 3.29Å |
| 2043 | D | 77.8 | Confident | 75.4 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 27% | 0.267 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.1 | -39.8 | 175.9 | -62.7 | -19 | 0 | 0 | 0 | 110.9 | Y2027 F2039 A2045 D2046 G2047 | Y2027-D2043 HydrophobicContact CD1-CB 3.55Å; Y2027-D2043 HydrophobicContact CD2-CB 4.12Å; Y2027-D2043 WeakPolarHBondContact CD2-O 3.41Å; Y2027-D2043 HydrophobicContact CE1-CB 3.81Å; Y2027-D2043 HydrophobicContact CE2-CB 4.35Å; Y2027-D2043 HydrophobicContact CG-CB 3.73Å; F2039-D2043 PolarHBondContact O-N 3.34Å; D2043-A2045 PolarHBondContact O-N 3.1Å; D2043-D2046 PolarHBondContact O-N 3.37Å; D2043-G2047 PolarHBondContact O-N 3.41Å |
| 2044 | L | 83.2 | Confident | 76 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 173.1 | -177.1 | 74.7 | 0 | 0 | 0 | 113.2 | M1965 L2024 A2028 S2040 Q2042 A2048 | M1965-L2044 HydrophobicContact CE-CD1 4.44Å; L2024-L2044 HydrophobicContact CD1-CD1 3.65Å; L2024-L2044 HydrophobicContact CD1-CG 4.42Å; A2028-L2044 HydrophobicContact CB-CD1 3.84Å; S2040-L2044 VanDerWaalsContact O-CB 3.3Å; S2040-L2044 WeakPolarHBondContact O-CB 3.29Å; S2040-L2044 PolarHBondContact O-N 2.85Å; S2040-L2044 VanDerWaalsContact O-N 3.13Å; Q2042-L2044 PolarHBondContact O-N 2.87Å; L2044-A2048 VanDerWaalsContact O-CB 3.3Å; L2044-A2048 WeakPolarHBondContact O-CB 3.42Å; L2044-A2048 PolarHBondContact O-N 3.03Å |
| 2045 | A | 78.7 | Confident | 76.9 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 19% | 0.19 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.4 | -34.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1966 K2041 Q2042 D2043 R2049 | V1966-A2045 HydrophobicContact CG1-CB 4.14Å; V1966-A2045 HydrophobicContact CG2-CB 4.39Å; K2041-A2045 PolarHBondContact O-N 3.17Å; Q2042-A2045 WeakPolarHBondContact O-CA 3.41Å; Q2042-A2045 WeakPolarHBondContact O-CB 3.28Å; Q2042-A2045 PolarHBondContact O-N 3.13Å; D2043-A2045 PolarHBondContact O-N 3.1Å; A2045-R2049 PolarHBondContact O-N 3.4Å |
| 2046 | D | 75.2 | Confident | 77.4 | Confident | 60 Ų | 60 | 57 Ų | 57 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.7 | -47.2 | 175.1 | -67.2 | -20.1 | 0 | 0 | 0 | 110.8 | Q2042 D2043 A2048 R2049 H2050 | Q2042-D2046 PolarHBondContact O-N 3.29Å; D2043-D2046 PolarHBondContact O-N 3.37Å; D2046-A2048 VanDerWaalsContact C-N 3.28Å; D2046-A2048 PolarHBondContact O-N 3.08Å; D2046-R2049 PolarHBondContact O-N 3.42Å; D2046-R2049 VanDerWaalsContact O-N 3.16Å; D2046-R2049 IonicContact OD1-CZ 2.69Å; D2046-R2049 IonicContact OD1-NE 2.71Å; D2046-R2049 IonicContact OD1-NH2 3.79Å; D2046-R2049 PolarHBondContact OD1-NH2 2.97Å; D2046-H2050 PolarHBondContact O-N 3.48Å |
| 2047 | G | 81 | Confident | 78.1 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61 | -33.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D2043 T2051 | D2043-G2047 PolarHBondContact O-N 3.41Å; G2047-T2051 WeakPolarHBondContact O-CB 3.3Å; G2047-T2051 PolarHBondContact O-N 3.19Å; G2047-T2051 PolarHBondContact O-OG1 3.18Å |
| 2048 | A | 84.9 | Confident | 79 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | A1962 V1966 L2024 L2044 D2046 V2052 | A1962-A2048 HydrophobicContact CB-CB 4.5Å; V1966-A2048 HydrophobicContact CG2-CB 3.63Å; L2024-A2048 HydrophobicContact CD1-CB 4.02Å; L2044-A2048 VanDerWaalsContact O-CB 3.3Å; L2044-A2048 WeakPolarHBondContact O-CB 3.42Å; L2044-A2048 PolarHBondContact O-N 3.03Å; D2046-A2048 VanDerWaalsContact C-N 3.28Å; D2046-A2048 PolarHBondContact O-N 3.08Å; A2048-V2052 WeakPolarHBondContact O-CG2 3.4Å; A2048-V2052 PolarHBondContact O-N 3.45Å |
| 2049 | R | 80 | Confident | 79.7 | Confident | 158 Ų | 158 | 46.9 Ų | 46.9 | 60% | 0.596 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -64.6 | -48.7 | 173.8 | -73.6 | -171.8 | -76 | -169.8 | 0.8 | 111.5 | A2045 D2046 T2051 V2052 E2053 | A2045-R2049 PolarHBondContact O-N 3.4Å; D2046-R2049 PolarHBondContact O-N 3.42Å; D2046-R2049 VanDerWaalsContact O-N 3.16Å; D2046-R2049 IonicContact OD1-CZ 2.69Å; D2046-R2049 IonicContact OD1-NE 2.71Å; D2046-R2049 IonicContact OD1-NH2 3.79Å; D2046-R2049 PolarHBondContact OD1-NH2 2.97Å; R2049-T2051 VanDerWaalsContact C-N 3.29Å; R2049-T2051 PolarHBondContact O-N 2.91Å; R2049-V2052 WeakPolarHBondContact O-CB 3.46Å; R2049-V2052 PolarHBondContact O-N 3.43Å; R2049-E2053 PolarHBondContact O-N 3.04Å |
| 2050 | H | 78.5 | Confident | 80.2 | Confident | 80 Ų | 80 | 43 Ų | 43 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.4 | -41.7 | 177.9 | -170 | 47.8 | 0 | 0 | 0 | 112.1 | D2046 V2052 E2053 S2054 | D2046-H2050 PolarHBondContact O-N 3.48Å; H2050-V2052 VanDerWaalsContact C-N 3.33Å; H2050-V2052 PolarHBondContact O-N 3.33Å; H2050-E2053 IonicContact ND1-OE2 3.16Å; H2050-E2053 WeakPolarHBondContact O-CB 3.49Å; H2050-E2053 PolarHBondContact O-N 3.08Å; H2050-S2054 PolarHBondContact O-N 2.86Å; H2050-S2054 PolarHBondContact O-OG 2.63Å |
| 2051 | T | 85.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -40.3 | 174.9 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | I1958 A1962 L2017 L2024 G2047 R2049 S2054 V2055 | I1958-T2051 HydrophobicContact CG2-CG2 4Å; A1962-T2051 HydrophobicContact CB-CG2 4.05Å; L2017-T2051 HydrophobicContact CD1-CG2 3.86Å; L2024-T2051 HydrophobicContact CD2-CG2 4.26Å; G2047-T2051 WeakPolarHBondContact O-CB 3.3Å; G2047-T2051 PolarHBondContact O-N 3.19Å; G2047-T2051 PolarHBondContact O-OG1 3.18Å; R2049-T2051 VanDerWaalsContact C-N 3.29Å; R2049-T2051 PolarHBondContact O-N 2.91Å; T2051-S2054 PolarHBondContact O-N 2.81Å; T2051-V2055 WeakPolarHBondContact O-CG2 3.4Å; T2051-V2055 PolarHBondContact O-N 2.96Å |
| 2052 | V | 82.2 | Confident | 80.7 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 26% | 0.255 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.8 | -36.6 | 177.2 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | Q1963 A2048 R2049 H2050 V2055 A2056 | Q1963-V2052 HydrophobicContact CG-CG2 4.09Å; A2048-V2052 WeakPolarHBondContact O-CG2 3.4Å; A2048-V2052 PolarHBondContact O-N 3.45Å; R2049-V2052 WeakPolarHBondContact O-CB 3.46Å; R2049-V2052 PolarHBondContact O-N 3.43Å; H2050-V2052 VanDerWaalsContact C-N 3.33Å; H2050-V2052 PolarHBondContact O-N 3.33Å; V2052-V2055 PolarHBondContact O-N 3.29Å; V2052-A2056 PolarHBondContact O-N 3.41Å; V2052-A2056 VanDerWaalsContact O-N 3.1Å |
| 2053 | E | 79.1 | Confident | 80.6 | Confident | 115 Ų | 115 | 42.9 Ų | 42.9 | 54% | 0.537 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.8 | -46.7 | 174 | -68.5 | 166.1 | 178.8 | 0 | 0 | 111.6 | R2049 H2050 V2055 A2056 L2057 | R2049-E2053 PolarHBondContact O-N 3.04Å; H2050-E2053 IonicContact ND1-OE2 3.16Å; H2050-E2053 WeakPolarHBondContact O-CB 3.49Å; H2050-E2053 PolarHBondContact O-N 3.08Å; E2053-V2055 VanDerWaalsContact C-N 3.31Å; E2053-V2055 PolarHBondContact O-N 2.83Å; E2053-A2056 WeakPolarHBondContact O-CA 3.35Å; E2053-A2056 VanDerWaalsContact O-CB 3.3Å; E2053-A2056 WeakPolarHBondContact O-CB 3.42Å; E2053-A2056 PolarHBondContact O-N 3.43Å; E2053-L2057 PolarHBondContact O-N 2.93Å; E2053-L2057 VanDerWaalsContact O-N 3.14Å |
| 2054 | S | 81.9 | Confident | 80.2 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -38.3 | 174.7 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | H2050 T2051 A2056 L2057 V2058 | H2050-S2054 PolarHBondContact O-N 2.86Å; H2050-S2054 PolarHBondContact O-OG 2.63Å; T2051-S2054 PolarHBondContact O-N 2.81Å; S2054-A2056 VanDerWaalsContact C-N 3.28Å; S2054-A2056 PolarHBondContact O-N 3.49Å; S2054-L2057 WeakPolarHBondContact O-CB 3.41Å; S2054-L2057 PolarHBondContact O-N 2.83Å; S2054-V2058 PolarHBondContact O-N 3.36Å; S2054-V2058 VanDerWaalsContact O-N 3.11Å |
| 2055 | V | 87.1 | Confident | 79.3 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.4 | -39.4 | 171.2 | 165.3 | 0 | 0 | 0 | 0 | 111.4 | C1955 I1958 L2017 T2051 V2052 E2053 L2057 V2058 L2059 | C1955-V2055 HydrophobicContact CB-CG1 4Å; C1955-V2055 WeakPolarHBondContact O-CG1 3.39Å; I1958-V2055 HydrophobicContact CB-CG2 4.38Å; I1958-V2055 HydrophobicContact CG2-CG2 3.79Å; L2017-V2055 HydrophobicContact CD1-CG2 3.69Å; L2017-V2055 HydrophobicContact CD2-CG2 3.92Å; L2017-V2055 HydrophobicContact CG-CG2 4.49Å; T2051-V2055 WeakPolarHBondContact O-CG2 3.4Å; T2051-V2055 PolarHBondContact O-N 2.96Å; V2052-V2055 PolarHBondContact O-N 3.29Å; E2053-V2055 VanDerWaalsContact C-N 3.31Å; E2053-V2055 PolarHBondContact O-N 2.83Å; V2055-L2057 VanDerWaalsContact C-N 3.32Å; V2055-L2057 PolarHBondContact O-N 3.13Å; V2055-V2058 PolarHBondContact O-N 3.17Å; V2055-L2059 HydrophobicContact CG1-CD1 3.89Å; V2055-L2059 HydrophobicContact CG1-CG 4.23Å; V2055-L2059 WeakPolarHBondContact O-CB 3.36Å; V2055-L2059 VanDerWaalsContact O-CG 3.31Å; V2055-L2059 WeakPolarHBondContact O-CG 3.37Å; V2055-L2059 PolarHBondContact O-N 2.93Å |
| 2056 | A | 80.6 | Confident | 78.7 | Confident | 58 Ų | 58 | 45.3 Ų | 45.3 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64 | -36.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V2052 E2053 S2054 L2059 A2060 | V2052-A2056 PolarHBondContact O-N 3.41Å; V2052-A2056 VanDerWaalsContact O-N 3.1Å; E2053-A2056 WeakPolarHBondContact O-CA 3.35Å; E2053-A2056 VanDerWaalsContact O-CB 3.3Å; E2053-A2056 WeakPolarHBondContact O-CB 3.42Å; E2053-A2056 PolarHBondContact O-N 3.43Å; S2054-A2056 VanDerWaalsContact C-N 3.28Å; S2054-A2056 PolarHBondContact O-N 3.49Å; A2056-L2059 PolarHBondContact O-N 3.22Å; A2056-A2060 WeakPolarHBondContact O-CB 3.19Å; A2056-A2060 PolarHBondContact O-N 2.96Å |
| 2057 | L | 80.2 | Confident | 78.5 | Confident | 91 Ų | 91 | 45.7 Ų | 45.7 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 173.6 | -63.4 | 175.7 | 0 | 0 | 0 | 112 | A2013 E2053 S2054 V2055 L2059 A2060 A2061 | A2013-L2057 HydrophobicContact CB-CB 4.2Å; E2053-L2057 PolarHBondContact O-N 2.93Å; E2053-L2057 VanDerWaalsContact O-N 3.14Å; S2054-L2057 WeakPolarHBondContact O-CB 3.41Å; S2054-L2057 PolarHBondContact O-N 2.83Å; V2055-L2057 VanDerWaalsContact C-N 3.32Å; V2055-L2057 PolarHBondContact O-N 3.13Å; L2057-L2059 PolarHBondContact O-N 3.05Å; L2057-A2060 WeakPolarHBondContact O-CB 3.48Å; L2057-A2060 PolarHBondContact O-N 3.14Å; L2057-A2060 VanDerWaalsContact O-N 3.17Å; L2057-A2061 PolarHBondContact O-N 2.96Å |
| 2058 | V | 85.4 | Confident | 78 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 176 | 178.9 | 0 | 0 | 0 | 0 | 111 | C1955 A2013 V2014 L2017 S2054 V2055 A2060 A2061 L2062 | C1955-V2058 VanDerWaalsContact SG-CG1 3.59Å; A2013-V2058 VanDerWaalsContact C-CG2 3.48Å; A2013-V2058 HydrophobicContact CB-CB 4.46Å; A2013-V2058 HydrophobicContact CB-CG2 3.72Å; A2013-V2058 VanDerWaalsContact O-CG2 3.32Å; A2013-V2058 WeakPolarHBondContact O-CG2 3.33Å; V2014-V2058 HydrophobicContact CG2-CG1 3.88Å; V2014-V2058 HydrophobicContact CG2-CG2 3.85Å; L2017-V2058 HydrophobicContact CB-CG2 4.37Å; L2017-V2058 HydrophobicContact CD2-CG2 4.16Å; S2054-V2058 PolarHBondContact O-N 3.36Å; S2054-V2058 VanDerWaalsContact O-N 3.11Å; V2055-V2058 PolarHBondContact O-N 3.17Å; V2058-A2060 VanDerWaalsContact C-N 3.31Å; V2058-A2060 PolarHBondContact O-N 3.37Å; V2058-A2061 PolarHBondContact O-N 3.42Å; V2058-L2062 HydrophobicContact CG1-CD1 3.96Å; V2058-L2062 HydrophobicContact CG1-CG 4.46Å; V2058-L2062 WeakPolarHBondContact O-CG 3.45Å; V2058-L2062 PolarHBondContact O-N 3.3Å |
| 2059 | L | 81.8 | Confident | 77.6 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 12% | 0.12 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -36.5 | 176.1 | -70.3 | 176.6 | 0 | 0 | 0 | 112.1 | I1952 C1955 V2055 A2056 L2057 R2063 | I1952-L2059 HydrophobicContact CB-CD2 4.25Å; I1952-L2059 HydrophobicContact CG1-CD2 3.84Å; I1952-L2059 HydrophobicContact CG2-CD2 4.11Å; C1955-L2059 HydrophobicContact CB-CD2 3.83Å; C1955-L2059 HydrophobicContact CB-CG 4.17Å; V2055-L2059 HydrophobicContact CG1-CD1 3.89Å; V2055-L2059 HydrophobicContact CG1-CG 4.23Å; V2055-L2059 WeakPolarHBondContact O-CB 3.36Å; V2055-L2059 VanDerWaalsContact O-CG 3.31Å; V2055-L2059 WeakPolarHBondContact O-CG 3.37Å; V2055-L2059 PolarHBondContact O-N 2.93Å; A2056-L2059 PolarHBondContact O-N 3.22Å; L2057-L2059 PolarHBondContact O-N 3.05Å; L2059-R2063 VanDerWaalsContact O-CB 3.29Å; L2059-R2063 WeakPolarHBondContact O-CB 3.24Å; L2059-R2063 VanDerWaalsContact O-CD 3.27Å; L2059-R2063 WeakPolarHBondContact O-CD 3.48Å; L2059-R2063 WeakPolarHBondContact O-CG 3.33Å; L2059-R2063 PolarHBondContact O-N 3.5Å |
| 2060 | A | 77.6 | Confident | 77.3 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A2056 L2057 V2058 R2063 M2064 | A2056-A2060 WeakPolarHBondContact O-CB 3.19Å; A2056-A2060 PolarHBondContact O-N 2.96Å; L2057-A2060 WeakPolarHBondContact O-CB 3.48Å; L2057-A2060 PolarHBondContact O-N 3.14Å; L2057-A2060 VanDerWaalsContact O-N 3.17Å; V2058-A2060 VanDerWaalsContact C-N 3.31Å; V2058-A2060 PolarHBondContact O-N 3.37Å; A2060-R2063 PolarHBondContact O-N 2.93Å; A2060-M2064 WeakPolarHBondContact O-CG 3.27Å; A2060-M2064 PolarHBondContact O-N 3.35Å |
| 2061 | A | 79.1 | Confident | 77.3 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -49.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I2010 L2057 V2058 R2063 M2064 | I2010-A2061 HydrophobicContact CG1-CB 3.83Å; L2057-A2061 PolarHBondContact O-N 2.96Å; V2058-A2061 PolarHBondContact O-N 3.42Å; A2061-R2063 VanDerWaalsContact C-N 3.32Å; A2061-R2063 PolarHBondContact O-N 3.15Å; A2061-M2064 WeakPolarHBondContact O-CB 3.41Å; A2061-M2064 PolarHBondContact O-N 2.81Å; A2061-M2064 VanDerWaalsContact O-N 3.12Å |
| 2062 | L | 79.3 | Confident | 77 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.2 | -35.5 | 177.7 | -70 | 170.7 | 0 | 0 | 0 | 113.2 | Q1948 M1951 I1952 I2010 V2058 M2064 G2065 | Q1948-L2062 HydrophobicContact CG-CB 4.41Å; Q1948-L2062 PolarHBondContact NE2-O 3.23Å; M1951-L2062 HydrophobicContact CB-CD1 3.7Å; M1951-L2062 HydrophobicContact CB-CD2 4.45Å; M1951-L2062 HydrophobicContact CE-CD1 4.32Å; M1951-L2062 HydrophobicContact CE-CD2 4.01Å; M1951-L2062 HydrophobicContact SD-CD2 3.84Å; I1952-L2062 HydrophobicContact CG1-CD1 4.01Å; I2010-L2062 HydrophobicContact CD1-CD2 4Å; I2010-L2062 HydrophobicContact CG1-CD2 4.32Å; I2010-L2062 HydrophobicContact CG2-CD2 4.41Å; V2058-L2062 HydrophobicContact CG1-CD1 3.96Å; V2058-L2062 HydrophobicContact CG1-CG 4.46Å; V2058-L2062 WeakPolarHBondContact O-CG 3.45Å; V2058-L2062 PolarHBondContact O-N 3.3Å; L2062-M2064 VanDerWaalsContact C-N 3.27Å; L2062-M2064 PolarHBondContact O-N 2.78Å; L2062-G2065 PolarHBondContact O-N 3.2Å |
| 2063 | R | 72.5 | Confident | 76.6 | Confident | 129 Ų | 129 | 35.6 Ų | 35.6 | 49% | 0.487 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.6 | -20.9 | 176.5 | -77.2 | 166.8 | -177.3 | 176.2 | 0.8 | 113.3 | L2059 A2060 A2061 G2065 | L2059-R2063 VanDerWaalsContact O-CB 3.29Å; L2059-R2063 WeakPolarHBondContact O-CB 3.24Å; L2059-R2063 VanDerWaalsContact O-CD 3.27Å; L2059-R2063 WeakPolarHBondContact O-CD 3.48Å; L2059-R2063 WeakPolarHBondContact O-CG 3.33Å; L2059-R2063 PolarHBondContact O-N 3.5Å; A2060-R2063 PolarHBondContact O-N 2.93Å; A2061-R2063 VanDerWaalsContact C-N 3.32Å; A2061-R2063 PolarHBondContact O-N 3.15Å; R2063-G2065 VanDerWaalsContact C-N 3.3Å |
| 2064 | M | 69.9 | Low | 76.4 | Confident | 93 Ų | 93 | 34.2 Ų | 34.2 | 46% | 0.458 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.2 | -28.5 | 174 | -65.9 | -161.5 | -69.2 | 0 | 0 | 112.6 | K2009 A2060 A2061 L2062 | K2009-M2064 HydrophobicContact CD-CE 3.88Å; A2060-M2064 WeakPolarHBondContact O-CG 3.27Å; A2060-M2064 PolarHBondContact O-N 3.35Å; A2061-M2064 WeakPolarHBondContact O-CB 3.41Å; A2061-M2064 PolarHBondContact O-N 2.81Å; A2061-M2064 VanDerWaalsContact O-N 3.12Å; L2062-M2064 VanDerWaalsContact C-N 3.27Å; L2062-M2064 PolarHBondContact O-N 2.78Å |
| 2065 | G | 64 | Low | 76.5 | Confident | 25 Ų | 25 | 34.2 Ų | 34.2 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -78 | -38.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L2062 R2063 | L2062-G2065 PolarHBondContact O-N 3.2Å; R2063-G2065 VanDerWaalsContact C-N 3.3Å |
| 2066 | A | 67.5 | Low | 76.1 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | trans | -151.2 | 86.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1944 Q1948 Q2070 | Y1944-A2066 HydrophobicContact CE1-CB 4.48Å; Q1948-A2066 PolarHBondContact NE2-O 3.09Å; A2066-Q2070 PolarHBondContact O-N 2.94Å | ||
| 2067 | K | 69.4 | Low | 75.8 | Confident | 68 Ų | 68 | 36 Ų | 36 | 30% | 0.296 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69.4 | -40.6 | 179.2 | -68.3 | -175.8 | 179.8 | -178.9 | 0 | 114.4 | Q2070 A2071 E2137 | K2067-Q2070 PolarHBondContact O-N 3.27Å; K2067-A2071 PolarHBondContact O-N 3.04Å; K2067-E2137 IonicContact NZ-OE1 2.76Å |
| 2068 | G | 71.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.4 | -42.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q2070 A2071 C2072 Q2136 | G2068-Q2070 VanDerWaalsContact C-N 3.31Å; G2068-Q2070 PolarHBondContact O-N 3.36Å; G2068-A2071 WeakPolarHBondContact O-CB 3.49Å; G2068-A2071 PolarHBondContact O-N 3.17Å; G2068-C2072 PolarHBondContact O-N 3.49Å; G2068-C2072 PolarHBondContact O-SG 2.98Å; G2068-Q2136 WeakPolarHBondContact CA-O 3.4Å; G2068-Q2136 VanDerWaalsContact CA-OE1 3.22Å; G2068-Q2136 PolarHBondContact N-O 3.38Å |
| 2069 | T | 76.5 | Confident | 75.7 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.1 | -42.6 | 170.7 | -50.3 | 0 | 0 | 0 | 0 | 111.7 | V1945 A2071 C2072 I2073 Q2136 K2194 | V1945-T2069 HydrophobicContact CG1-CG2 3.56Å; V1945-T2069 HydrophobicContact CG2-CG2 4.39Å; T2069-A2071 PolarHBondContact O-N 3.22Å; T2069-C2072 WeakPolarHBondContact O-CB 3.48Å; T2069-C2072 PolarHBondContact O-N 3.22Å; T2069-I2073 HydrophobicContact CG2-CD1 4.31Å; T2069-I2073 WeakPolarHBondContact O-CG1 3.49Å; T2069-I2073 PolarHBondContact O-N 3.23Å; T2069-Q2136 VanDerWaalsContact N-OE1 3.13Å; T2069-K2194 HydrophobicContact CG2-CD 4.41Å; T2069-K2194 HydrophobicContact CG2-CG 3.88Å |
| 2070 | Q | 73.2 | Confident | 75.6 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 176.6 | -173.7 | 58.9 | 39.2 | 0 | 0 | 112.6 | A2066 K2067 G2068 C2072 I2073 N2074 | A2066-Q2070 PolarHBondContact O-N 2.94Å; K2067-Q2070 PolarHBondContact O-N 3.27Å; G2068-Q2070 VanDerWaalsContact C-N 3.31Å; G2068-Q2070 PolarHBondContact O-N 3.36Å; Q2070-C2072 VanDerWaalsContact C-N 3.31Å; Q2070-C2072 PolarHBondContact O-N 3.16Å; Q2070-I2073 PolarHBondContact O-N 3.01Å; Q2070-N2074 PolarHBondContact NE2-OD1 3.35Å; Q2070-N2074 PolarHBondContact O-N 3.12Å; Q2070-N2074 PolarHBondContact O-OD1 3.42Å |
| 2071 | A | 77.6 | Confident | 75.4 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K2067 G2068 T2069 A2075 A2140 A2143 | K2067-A2071 PolarHBondContact O-N 3.04Å; G2068-A2071 WeakPolarHBondContact O-CB 3.49Å; G2068-A2071 PolarHBondContact O-N 3.17Å; T2069-A2071 PolarHBondContact O-N 3.22Å; A2071-A2075 WeakPolarHBondContact O-CB 3.33Å; A2071-A2075 PolarHBondContact O-N 2.91Å; A2071-A2140 HydrophobicContact CB-CB 3.73Å; A2071-A2143 HydrophobicContact CB-CB 4.28Å |
| 2072 | C | 81.1 | Confident | 75.5 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 172.9 | -64.1 | 0 | 0 | 0 | 0 | 112.7 | G2068 T2069 Q2070 A2075 A2076 I2190 | G2068-C2072 PolarHBondContact O-N 3.49Å; G2068-C2072 PolarHBondContact O-SG 2.98Å; T2069-C2072 WeakPolarHBondContact O-CB 3.48Å; T2069-C2072 PolarHBondContact O-N 3.22Å; Q2070-C2072 VanDerWaalsContact C-N 3.31Å; Q2070-C2072 PolarHBondContact O-N 3.16Å; C2072-A2075 PolarHBondContact O-N 3.49Å; C2072-A2076 WeakPolarHBondContact O-CB 3.4Å; C2072-A2076 PolarHBondContact O-N 2.96Å; C2072-I2190 HydrophobicContact CB-CG2 3.77Å; C2072-I2190 WeakPolarHBondContact O-CG2 3.44Å |
| 2073 | I | 73.2 | Confident | 75.5 | Confident | 48 Ų | 48 | 38.4 Ų | 38.4 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.5 | -48.5 | 176.6 | -68.2 | 166.5 | 0 | 0 | 0 | 110.7 | T2069 Q2070 A2075 A2076 S2077 K2194 | T2069-I2073 HydrophobicContact CG2-CD1 4.31Å; T2069-I2073 WeakPolarHBondContact O-CG1 3.49Å; T2069-I2073 PolarHBondContact O-N 3.23Å; Q2070-I2073 PolarHBondContact O-N 3.01Å; I2073-A2075 VanDerWaalsContact C-N 3.29Å; I2073-A2075 PolarHBondContact O-N 2.97Å; I2073-A2076 PolarHBondContact O-N 3.4Å; I2073-S2077 PolarHBondContact O-N 2.88Å; I2073-K2194 HydrophobicContact CG1-CD 4.33Å |
| 2074 | N | 75.5 | Confident | 75.6 | Confident | 86 Ų | 86 | 33.9 Ų | 33.9 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 175.4 | -70.9 | 7.9 | 0 | 0 | 0 | 110.7 | Q2070 S2077 T2078 | Q2070-N2074 PolarHBondContact NE2-OD1 3.35Å; Q2070-N2074 PolarHBondContact O-N 3.12Å; Q2070-N2074 PolarHBondContact O-OD1 3.42Å; N2074-S2077 WeakPolarHBondContact O-CB 3.28Å; N2074-S2077 PolarHBondContact O-N 3.19Å; N2074-T2078 PolarHBondContact O-N 2.93Å; N2074-T2078 PolarHBondContact O-OG1 3.45Å; N2074-T2078 VanDerWaalsContact O-OG1 3.13Å |
| 2075 | A | 82.4 | Confident | 76 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A2071 C2072 I2073 S2077 T2078 V2079 A2143 V2147 I2190 | A2071-A2075 WeakPolarHBondContact O-CB 3.33Å; A2071-A2075 PolarHBondContact O-N 2.91Å; C2072-A2075 PolarHBondContact O-N 3.49Å; I2073-A2075 VanDerWaalsContact C-N 3.29Å; I2073-A2075 PolarHBondContact O-N 2.97Å; A2075-S2077 VanDerWaalsContact C-N 3.32Å; A2075-S2077 PolarHBondContact O-N 3.35Å; A2075-T2078 PolarHBondContact O-N 3.13Å; A2075-V2079 VanDerWaalsContact O-CG2 3.27Å; A2075-V2079 WeakPolarHBondContact O-CG2 3.24Å; A2075-V2079 PolarHBondContact O-N 3.34Å; A2075-A2143 HydrophobicContact CB-CB 4.29Å; A2075-V2147 VanDerWaalsContact CA-CG2 3.49Å; A2075-V2147 HydrophobicContact CB-CG2 3.28Å; A2075-I2190 HydrophobicContact CB-CD1 3.94Å; A2075-I2190 HydrophobicContact CB-CG2 4.24Å |
| 2076 | A | 79.9 | Confident | 76.9 | Confident | 16 Ų | 16 | 30 Ų | 30 | 13% | 0.132 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C2072 I2073 V2079 S2080 I2190 | C2072-A2076 WeakPolarHBondContact O-CB 3.4Å; C2072-A2076 PolarHBondContact O-N 2.96Å; I2073-A2076 PolarHBondContact O-N 3.4Å; A2076-V2079 PolarHBondContact O-N 2.98Å; A2076-S2080 PolarHBondContact O-N 3.34Å; A2076-S2080 PolarHBondContact O-OG 3.11Å; A2076-S2080 VanDerWaalsContact O-OG 3.05Å; A2076-I2190 HydrophobicContact CB-CG2 4.14Å |
| 2077 | S | 74 | Confident | 77.4 | Confident | 84 Ų | 84 | 32.1 Ų | 32.1 | 59% | 0.587 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -61.2 | -45.2 | 175.5 | -168.4 | 0 | 0 | 0 | 0 | 112.3 | I2073 N2074 A2075 S2080 G2081 | I2073-S2077 PolarHBondContact O-N 2.88Å; N2074-S2077 WeakPolarHBondContact O-CB 3.28Å; N2074-S2077 PolarHBondContact O-N 3.19Å; A2075-S2077 VanDerWaalsContact C-N 3.32Å; A2075-S2077 PolarHBondContact O-N 3.35Å; S2077-S2080 PolarHBondContact O-N 2.96Å; S2077-G2081 PolarHBondContact O-N 3.1Å |
| 2078 | T | 78.5 | Confident | 77.7 | Confident | 65 Ų | 65 | 30.1 Ų | 30.1 | 40% | 0.399 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 176.6 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | N2074 A2075 S2080 G2081 I2082 V2147 | N2074-T2078 PolarHBondContact O-N 2.93Å; N2074-T2078 PolarHBondContact O-OG1 3.45Å; N2074-T2078 VanDerWaalsContact O-OG1 3.13Å; A2075-T2078 PolarHBondContact O-N 3.13Å; T2078-S2080 PolarHBondContact O-N 2.99Å; T2078-G2081 WeakPolarHBondContact O-CA 3.35Å; T2078-G2081 PolarHBondContact O-N 2.97Å; T2078-G2081 VanDerWaalsContact O-N 3.12Å; T2078-I2082 HydrophobicContact CG2-CD1 4.44Å; T2078-I2082 WeakPolarHBondContact O-CG1 3.32Å; T2078-I2082 PolarHBondContact O-N 3.38Å; T2078-V2147 HydrophobicContact CG2-CG1 3.69Å |
| 2079 | V | 84.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | A2075 A2076 G2081 I2082 I2083 I2150 A2183 L2186 I2190 | A2075-V2079 VanDerWaalsContact O-CG2 3.27Å; A2075-V2079 WeakPolarHBondContact O-CG2 3.24Å; A2075-V2079 PolarHBondContact O-N 3.34Å; A2076-V2079 PolarHBondContact O-N 2.98Å; V2079-G2081 VanDerWaalsContact C-N 3.3Å; V2079-G2081 PolarHBondContact O-N 3.23Å; V2079-I2082 WeakPolarHBondContact O-CB 3.35Å; V2079-I2082 PolarHBondContact O-N 2.99Å; V2079-I2083 HydrophobicContact CG1-CD1 4.18Å; V2079-I2083 WeakPolarHBondContact O-CG1 3.33Å; V2079-I2083 PolarHBondContact O-N 3.29Å; V2079-I2150 HydrophobicContact CG2-CG2 4.1Å; V2079-A2183 HydrophobicContact CG1-CB 4.34Å; V2079-A2183 WeakPolarHBondContact CG1-O 3.4Å; V2079-L2186 HydrophobicContact CG2-CD2 4.08Å; V2079-L2186 HydrophobicContact CG2-CG 4.43Å; V2079-I2190 HydrophobicContact CG2-CD1 4.18Å |
| 2080 | S | 79 | Confident | 78.3 | Confident | 65 Ų | 65 | 31.7 Ų | 31.7 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.4 | -38.5 | 171.6 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | A2076 S2077 T2078 I2083 G2084 | A2076-S2080 PolarHBondContact O-N 3.34Å; A2076-S2080 PolarHBondContact O-OG 3.11Å; A2076-S2080 VanDerWaalsContact O-OG 3.05Å; S2077-S2080 PolarHBondContact O-N 2.96Å; T2078-S2080 PolarHBondContact O-N 2.99Å; S2080-I2083 PolarHBondContact O-N 3.44Å; S2080-G2084 PolarHBondContact O-N 3.38Å |
| 2081 | G | 73.6 | Confident | 78.2 | Confident | 46 Ų | 46 | 33 Ų | 33 | 47% | 0.474 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.1 | -39.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S2077 T2078 V2079 G2084 D2085 | S2077-G2081 PolarHBondContact O-N 3.1Å; T2078-G2081 WeakPolarHBondContact O-CA 3.35Å; T2078-G2081 PolarHBondContact O-N 2.97Å; T2078-G2081 VanDerWaalsContact O-N 3.12Å; V2079-G2081 VanDerWaalsContact C-N 3.3Å; V2079-G2081 PolarHBondContact O-N 3.23Å; G2081-G2084 PolarHBondContact O-N 2.99Å; G2081-D2085 PolarHBondContact O-N 3.06Å; G2081-D2085 VanDerWaalsContact O-N 3.08Å |
| 2082 | I | 82.1 | Confident | 78.1 | Confident | 14 Ų | 14 | 33.1 Ų | 33.1 | 7% | 0.072 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -41.1 | 173.6 | -62.7 | 164.8 | 0 | 0 | 0 | 110.7 | T2078 V2079 G2084 D2085 L2086 I2150 V2151 | T2078-I2082 HydrophobicContact CG2-CD1 4.44Å; T2078-I2082 WeakPolarHBondContact O-CG1 3.32Å; T2078-I2082 PolarHBondContact O-N 3.38Å; V2079-I2082 WeakPolarHBondContact O-CB 3.35Å; V2079-I2082 PolarHBondContact O-N 2.99Å; I2082-G2084 VanDerWaalsContact C-N 3.33Å; I2082-G2084 PolarHBondContact O-N 2.81Å; I2082-D2085 WeakPolarHBondContact O-CB 3.49Å; I2082-D2085 PolarHBondContact O-N 3.43Å; I2082-L2086 HydrophobicContact CG2-CD1 3.91Å; I2082-L2086 HydrophobicContact CG2-CG 4.19Å; I2082-L2086 WeakPolarHBondContact O-CB 3.38Å; I2082-L2086 VanDerWaalsContact O-CG 3.29Å; I2082-L2086 WeakPolarHBondContact O-CG 3.32Å; I2082-L2086 PolarHBondContact O-N 2.86Å; I2082-I2150 HydrophobicContact CD1-CG1 4.47Å; I2082-I2150 HydrophobicContact CD1-CG2 3.77Å; I2082-V2151 HydrophobicContact CD1-CB 4.44Å; I2082-V2151 HydrophobicContact CD1-CG2 3.54Å; I2082-V2151 HydrophobicContact CG1-CG2 4.32Å |
| 2083 | I | 80.1 | Confident | 77.8 | Confident | 31 Ų | 31 | 33 Ų | 33 | 16% | 0.159 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.6 | -43.3 | 176.4 | -67.8 | 165 | 0 | 0 | 0 | 110.6 | V2079 S2080 D2085 L2086 D2087 A2183 A2184 | V2079-I2083 HydrophobicContact CG1-CD1 4.18Å; V2079-I2083 WeakPolarHBondContact O-CG1 3.33Å; V2079-I2083 PolarHBondContact O-N 3.29Å; S2080-I2083 PolarHBondContact O-N 3.44Å; I2083-D2085 VanDerWaalsContact C-N 3.35Å; I2083-D2085 PolarHBondContact O-N 2.9Å; I2083-L2086 PolarHBondContact O-N 3.12Å; I2083-D2087 WeakPolarHBondContact O-CB 3.36Å; I2083-D2087 PolarHBondContact O-N 3.42Å; I2083-A2183 HydrophobicContact CD1-CB 4.42Å; I2083-A2183 HydrophobicContact CG1-CB 3.86Å; I2083-A2184 HydrophobicContact CD1-CB 4.49Å |
| 2084 | G | 74.6 | Confident | 77.8 | Confident | 34 Ų | 34 | 33.6 Ų | 33.6 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.4 | -34.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S2080 G2081 I2082 T2088 | S2080-G2084 PolarHBondContact O-N 3.38Å; G2081-G2084 PolarHBondContact O-N 2.99Å; I2082-G2084 VanDerWaalsContact C-N 3.33Å; I2082-G2084 PolarHBondContact O-N 2.81Å; G2084-T2088 WeakPolarHBondContact O-CB 3.39Å; G2084-T2088 PolarHBondContact O-N 3.29Å; G2084-T2088 PolarHBondContact O-OG1 2.91Å |
| 2085 | D | 78 | Confident | 77.5 | Confident | 36 Ų | 36 | 30 Ų | 30 | 19% | 0.193 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.1 | -41.5 | 174.6 | -159.2 | 81.5 | 0 | 0 | 0 | 111.6 | G2081 I2082 I2083 T2088 T2089 K2158 K2523 | G2081-D2085 PolarHBondContact O-N 3.06Å; G2081-D2085 VanDerWaalsContact O-N 3.08Å; I2082-D2085 WeakPolarHBondContact O-CB 3.49Å; I2082-D2085 PolarHBondContact O-N 3.43Å; I2083-D2085 VanDerWaalsContact C-N 3.35Å; I2083-D2085 PolarHBondContact O-N 2.9Å; D2085-T2088 PolarHBondContact O-N 2.85Å; D2085-T2089 PolarHBondContact O-N 2.75Å; D2085-T2089 PolarHBondContact O-OG1 3Å; D2085-K2158 IonicContact OD2-NZ 3.19Å; D2085-K2158 PolarHBondContact OD2-NZ 3.39Å; D2085-K2523 IonicContact OD1-NZ 3.75Å; D2085-K2523 PolarHBondContact OD1-NZ 2.89Å |
| 2086 | L | 82.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 173.3 | -69.7 | 172.3 | 0 | 0 | 0 | 111.7 | I2082 I2083 T2089 I2090 K2158 I2176 V2179 K2180 A2183 | I2082-L2086 HydrophobicContact CG2-CD1 3.91Å; I2082-L2086 HydrophobicContact CG2-CG 4.19Å; I2082-L2086 WeakPolarHBondContact O-CB 3.38Å; I2082-L2086 VanDerWaalsContact O-CG 3.29Å; I2082-L2086 WeakPolarHBondContact O-CG 3.32Å; I2082-L2086 PolarHBondContact O-N 2.86Å; I2083-L2086 PolarHBondContact O-N 3.12Å; L2086-T2089 CarbonylContact O-C 3.14Å; L2086-T2089 WeakPolarHBondContact O-CA 3.45Å; L2086-T2089 WeakPolarHBondContact O-CB 3.35Å; L2086-T2089 PolarHBondContact O-N 3.4Å; L2086-T2089 VanDerWaalsContact O-N 3.11Å; L2086-I2090 VanDerWaalsContact O-CG1 3.31Å; L2086-I2090 WeakPolarHBondContact O-CG1 3.48Å; L2086-I2090 PolarHBondContact O-N 2.95Å; L2086-K2158 HydrophobicContact CD2-CG 4.4Å; L2086-I2176 HydrophobicContact CB-CG2 4.39Å; L2086-I2176 HydrophobicContact CD2-CG2 3.94Å; L2086-V2179 HydrophobicContact CD1-CG1 4.05Å; L2086-V2179 HydrophobicContact CD2-CG1 3.71Å; L2086-K2180 HydrophobicContact CD1-CB 4.31Å; L2086-A2183 HydrophobicContact CD1-CB 4.33Å |
| 2087 | D | 79.1 | Confident | 76.6 | Confident | 51 Ų | 51 | 29.6 Ų | 29.6 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.6 | -45 | 174.4 | -85.7 | -35.3 | 0 | 0 | 0 | 111.6 | I2083 T2089 I2090 M2091 K2180 | I2083-D2087 WeakPolarHBondContact O-CB 3.36Å; I2083-D2087 PolarHBondContact O-N 3.42Å; D2087-T2089 PolarHBondContact O-N 2.87Å; D2087-I2090 PolarHBondContact O-N 3.23Å; D2087-M2091 WeakPolarHBondContact O-CG 3.3Å; D2087-M2091 PolarHBondContact O-N 3.17Å; D2087-K2180 VanDerWaalsContact CG-NZ 3.27Å; D2087-K2180 WeakPolarHBondContact OD1-CE 3.42Å; D2087-K2180 IonicContact OD1-NZ 2.63Å; D2087-K2180 PolarHBondContact OD1-NZ 2.93Å; D2087-K2180 IonicContact OD2-NZ 2.77Å; D2087-K2180 PolarHBondContact OD2-NZ 2.79Å; D2087-K2180 VanDerWaalsContact OD2-NZ 3.09Å |
| 2088 | T | 75.4 | Confident | 76.6 | Confident | 25 Ų | 25 | 26.2 Ų | 26.2 | 15% | 0.153 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.7 | -38.7 | 172.5 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | G2084 D2085 M2091 F2092 A2527 | G2084-T2088 WeakPolarHBondContact O-CB 3.39Å; G2084-T2088 PolarHBondContact O-N 3.29Å; G2084-T2088 PolarHBondContact O-OG1 2.91Å; D2085-T2088 PolarHBondContact O-N 2.85Å; T2088-M2091 PolarHBondContact O-N 3.15Å; T2088-F2092 HydrophobicContact CG2-CD2 4.07Å; T2088-F2092 HydrophobicContact CG2-CE2 3.67Å; T2088-F2092 HydrophobicContact CG2-CZ 4.48Å; T2088-F2092 VanDerWaalsContact O-CD2 3.3Å; T2088-F2092 WeakPolarHBondContact O-CD2 3.46Å; T2088-F2092 PolarHBondContact O-N 2.58Å; T2088-F2092 VanDerWaalsContact O-N 3.09Å; T2088-A2527 HydrophobicContact CG2-CB 4.37Å |
| 2089 | T | 81 | Confident | 76.2 | Confident | 15 Ų | 15 | 26.6 Ų | 26.6 | 9% | 0.092 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.6 | -40.7 | 177.5 | -51.1 | 0 | 0 | 0 | 0 | 112.3 | D2085 L2086 D2087 M2091 F2092 A2093 L2098 K2158 I2176 | D2085-T2089 PolarHBondContact O-N 2.75Å; D2085-T2089 PolarHBondContact O-OG1 3Å; L2086-T2089 CarbonylContact O-C 3.14Å; L2086-T2089 WeakPolarHBondContact O-CA 3.45Å; L2086-T2089 WeakPolarHBondContact O-CB 3.35Å; L2086-T2089 PolarHBondContact O-N 3.4Å; L2086-T2089 VanDerWaalsContact O-N 3.11Å; D2087-T2089 PolarHBondContact O-N 2.87Å; T2089-M2091 VanDerWaalsContact C-N 3.26Å; T2089-M2091 PolarHBondContact O-N 2.97Å; T2089-F2092 PolarHBondContact O-N 3.09Å; T2089-A2093 PolarHBondContact O-N 3.25Å; T2089-L2098 HydrophobicContact CG2-CD1 4.25Å; T2089-L2098 HydrophobicContact CG2-CD2 4.23Å; T2089-K2158 HydrophobicContact CG2-CD 4.37Å; T2089-K2158 HydrophobicContact CG2-CG 4.04Å; T2089-I2176 HydrophobicContact CG2-CD1 3.82Å |
| 2090 | I | 79.3 | Confident | 75.3 | Confident | 19 Ų | 19 | 29 Ų | 29 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59 | -39.8 | 172.6 | -69.4 | 161.7 | 0 | 0 | 0 | 110.2 | L2086 D2087 A2093 T2094 V2173 I2176 N2177 K2180 | L2086-I2090 VanDerWaalsContact O-CG1 3.31Å; L2086-I2090 WeakPolarHBondContact O-CG1 3.48Å; L2086-I2090 PolarHBondContact O-N 2.95Å; D2087-I2090 PolarHBondContact O-N 3.23Å; I2090-A2093 PolarHBondContact O-N 2.86Å; I2090-T2094 VanDerWaalsContact O-CB 3.28Å; I2090-T2094 WeakPolarHBondContact O-CB 3.22Å; I2090-T2094 PolarHBondContact O-N 3.24Å; I2090-T2094 PolarHBondContact O-OG1 2.92Å; I2090-V2173 HydrophobicContact CG2-CG1 4.48Å; I2090-I2176 HydrophobicContact CD1-CG2 4.05Å; I2090-I2176 HydrophobicContact CG1-CB 3.93Å; I2090-I2176 HydrophobicContact CG1-CG2 3.49Å; I2090-I2176 VanDerWaalsContact CG1-CG2 3.49Å; I2090-N2177 WeakPolarHBondContact CD1-OD1 3.35Å; I2090-K2180 HydrophobicContact CD1-CD 3.9Å |
| 2091 | M | 70.7 | Confident | 74.6 | Confident | 44 Ų | 44 | 33.4 Ų | 33.4 | 22% | 0.217 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.9 | -40.6 | 178.6 | -65.7 | 166.2 | 83.2 | 0 | 0 | 111.8 | D2087 T2088 T2089 T2094 A2095 A2530 H2531 V2534 | D2087-M2091 WeakPolarHBondContact O-CG 3.3Å; D2087-M2091 PolarHBondContact O-N 3.17Å; T2088-M2091 PolarHBondContact O-N 3.15Å; T2089-M2091 VanDerWaalsContact C-N 3.26Å; T2089-M2091 PolarHBondContact O-N 2.97Å; M2091-T2094 PolarHBondContact O-N 3.18Å; M2091-A2095 VanDerWaalsContact O-CB 3.31Å; M2091-A2095 WeakPolarHBondContact O-CB 3.4Å; M2091-A2095 PolarHBondContact O-N 3.18Å; M2091-A2530 HydrophobicContact CB-CB 3.76Å; M2091-A2530 HydrophobicContact CE-CB 4.46Å; M2091-H2531 HydrophobicContact CE-CB 3.55Å; M2091-V2534 HydrophobicContact CB-CG2 4.04Å; M2091-V2534 WeakPolarHBondContact O-CG2 3.2Å |
| 2092 | F | 75.3 | Confident | 74.2 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68 | -38 | 173.1 | -72.9 | -49.2 | 0 | 0 | 0 | 113.4 | T2088 T2089 A2095 G2096 T2097 L2098 A2530 L2533 K2558 | T2088-F2092 HydrophobicContact CG2-CD2 4.07Å; T2088-F2092 HydrophobicContact CG2-CE2 3.67Å; T2088-F2092 HydrophobicContact CG2-CZ 4.48Å; T2088-F2092 VanDerWaalsContact O-CD2 3.3Å; T2088-F2092 WeakPolarHBondContact O-CD2 3.46Å; T2088-F2092 PolarHBondContact O-N 2.58Å; T2088-F2092 VanDerWaalsContact O-N 3.09Å; T2089-F2092 PolarHBondContact O-N 3.09Å; F2092-A2095 PolarHBondContact O-N 2.89Å; F2092-G2096 PolarHBondContact O-N 3.38Å; F2092-T2097 VanDerWaalsContact CD1-OG1 3.26Å; F2092-T2097 WeakPolarHBondContact CD1-OG1 3.42Å; F2092-T2097 PolarHBondContact O-N 3.48Å; F2092-T2097 PolarHBondContact O-OG1 2.94Å; F2092-T2097 VanDerWaalsContact O-OG1 3.13Å; F2092-L2098 PolarHBondContact O-N 3.19Å; F2092-A2530 HydrophobicContact CD1-CB 3.99Å; F2092-A2530 HydrophobicContact CE1-CB 3.77Å; F2092-A2530 HydrophobicContact CE2-CB 4.41Å; F2092-A2530 HydrophobicContact CG-CB 4.42Å; F2092-A2530 HydrophobicContact CZ-CB 4Å; F2092-L2533 HydrophobicContact CD1-CD1 4.47Å; F2092-L2533 HydrophobicContact CE1-CD1 4.21Å; F2092-K2558 HydrophobicContact CD2-CD 4.39Å; F2092-K2558 HydrophobicContact CE1-CD 4.43Å; F2092-K2558 HydrophobicContact CE2-CD 4.11Å; F2092-K2558 HydrophobicContact CE2-CG 4.26Å; F2092-K2558 HydrophobicContact CZ-CB 4.15Å; F2092-K2558 HydrophobicContact CZ-CD 4.13Å; F2092-K2558 HydrophobicContact CZ-CG 4.08Å |
| 2093 | A | 75.2 | Confident | 73.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T2089 I2090 A2095 G2096 L2098 Q2172 V2173 I2176 | T2089-A2093 PolarHBondContact O-N 3.25Å; I2090-A2093 PolarHBondContact O-N 2.86Å; A2093-A2095 VanDerWaalsContact C-N 3.3Å; A2093-A2095 PolarHBondContact O-N 2.93Å; A2093-G2096 PolarHBondContact O-N 3.08Å; A2093-L2098 HydrophobicContact CB-CB 4.38Å; A2093-L2098 HydrophobicContact CB-CD2 4.05Å; A2093-Q2172 HydrophobicContact CB-CB 3.89Å; A2093-V2173 HydrophobicContact CB-CG2 3.86Å; A2093-I2176 HydrophobicContact CB-CD1 4.12Å |
| 2094 | T | 73.7 | Confident | 72.4 | Confident | 60 Ų | 60 | 50.8 Ų | 50.8 | 37% | 0.368 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 112 | I2090 M2091 G2096 K2537 | I2090-T2094 VanDerWaalsContact O-CB 3.28Å; I2090-T2094 WeakPolarHBondContact O-CB 3.22Å; I2090-T2094 PolarHBondContact O-N 3.24Å; I2090-T2094 PolarHBondContact O-OG1 2.92Å; M2091-T2094 PolarHBondContact O-N 3.18Å; T2094-G2096 VanDerWaalsContact C-N 3.32Å; T2094-K2537 WeakPolarHBondContact O-CD 3.22Å; T2094-K2537 WeakPolarHBondContact O-CE 3.04Å; T2094-K2537 PolarHBondContact O-NZ 3.19Å |
| 2095 | A | 68.4 | Low | 72.1 | Confident | 9 Ų | 9 | 51.2 Ų | 51.2 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.6 | -28.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M2091 F2092 A2093 T2097 L2533 K2537 | M2091-A2095 VanDerWaalsContact O-CB 3.31Å; M2091-A2095 WeakPolarHBondContact O-CB 3.4Å; M2091-A2095 PolarHBondContact O-N 3.18Å; F2092-A2095 PolarHBondContact O-N 2.89Å; A2093-A2095 VanDerWaalsContact C-N 3.3Å; A2093-A2095 PolarHBondContact O-N 2.93Å; A2095-T2097 HydrophobicContact CB-CG2 4.33Å; A2095-L2533 HydrophobicContact CB-CB 4.26Å; A2095-K2537 PolarHBondContact O-NZ 2.83Å |
| 2096 | G | 69.7 | Low | 71.9 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 6% | 0.062 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 30.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F2092 A2093 T2094 Q2551 | F2092-G2096 PolarHBondContact O-N 3.38Å; A2093-G2096 PolarHBondContact O-N 3.08Å; T2094-G2096 VanDerWaalsContact C-N 3.32Å; G2096-Q2551 PolarHBondContact O-NE2 3.31Å |
| 2097 | T | 73.3 | Confident | 71.7 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | trans | -113.1 | 4.4 | 178.3 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | F2092 A2095 N2099 Q2551 N2555 | F2092-T2097 VanDerWaalsContact CD1-OG1 3.26Å; F2092-T2097 WeakPolarHBondContact CD1-OG1 3.42Å; F2092-T2097 PolarHBondContact O-N 3.48Å; F2092-T2097 PolarHBondContact O-OG1 2.94Å; F2092-T2097 VanDerWaalsContact O-OG1 3.13Å; A2095-T2097 HydrophobicContact CB-CG2 4.33Å; T2097-N2099 PolarHBondContact O-N 3.37Å; T2097-Q2551 HydrophobicContact CG2-CG 3.62Å; T2097-N2555 WeakPolarHBondContact CB-OD1 3.35Å; T2097-N2555 WeakPolarHBondContact CG2-OD1 3.09Å | ||
| 2098 | L | 74.1 | Confident | 71.7 | Confident | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | trans | -88.7 | 96.6 | 170.6 | -166.2 | 70.7 | 0 | 0 | 0 | 109.1 | T2089 F2092 A2093 A2161 A2162 Q2172 I2176 | T2089-L2098 HydrophobicContact CG2-CD1 4.25Å; T2089-L2098 HydrophobicContact CG2-CD2 4.23Å; F2092-L2098 PolarHBondContact O-N 3.19Å; A2093-L2098 HydrophobicContact CB-CB 4.38Å; A2093-L2098 HydrophobicContact CB-CD2 4.05Å; L2098-A2161 HydrophobicContact CD2-CB 4.24Å; L2098-A2162 HydrophobicContact CD1-CB 4.49Å; L2098-A2162 HydrophobicContact CG-CB 4.36Å; L2098-Q2172 HydrophobicContact CD2-CB 4.42Å; L2098-Q2172 PolarHBondContact O-NE2 3.47Å; L2098-I2176 HydrophobicContact CD2-CD1 4.09Å | ||
| 2099 | N | 70.5 | Confident | 71.8 | Confident | 74 Ų | 74 | 57.6 Ų | 57.6 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | trans | -106.2 | 154.7 | 174.9 | -66.6 | -30.7 | 0 | 0 | 0 | 109.5 | T2097 S2166 | T2097-N2099 PolarHBondContact O-N 3.37Å; N2099-S2166 PolarHBondContact OD1-OG 2.84Å | ||
| 2100 | P | 65.7 | Low | 71.9 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 32% | 0.318 | 31% | 0.313 | S | S | . | . | trans | -60.6 | 143.4 | 173.3 | 25.3 | -34.2 | 0 | 0 | 0 | 111.1 | R2102 A2162 | P2100-R2102 VanDerWaalsContact C-N 3.32Å; P2100-A2162 WeakPolarHBondContact CA-O 3.36Å; P2100-A2162 WeakPolarHBondContact CB-O 3.44Å; P2100-A2162 WeakPolarHBondContact CD-O 3.45Å | ||
| 2101 | E | 65.2 | Low | 72 | Confident | 159 Ų | 159 | 62.3 Ų | 62.3 | 74% | 0.743 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -75 | -26.7 | -179.8 | -66.6 | -167.8 | 166 | 0 | 0 | 111.9 | ||
| 2102 | R | 64.9 | Low | 72.6 | Confident | 179 Ų | 179 | 65.8 Ų | 65.8 | 68% | 0.675 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -123.1 | 136.9 | 176.1 | -51.6 | 179.5 | -174.9 | 165.5 | -0.1 | 110.2 | P2100 G2104 E2105 | P2100-R2102 VanDerWaalsContact C-N 3.32Å; R2102-G2104 PolarHBondContact O-N 2.9Å; R2102-G2104 VanDerWaalsContact O-N 3.09Å; R2102-E2105 HydrophobicContact CB-CG 4Å; R2102-E2105 VanDerWaalsContact CD-OE1 3.27Å; R2102-E2105 WeakPolarHBondContact CD-OE1 3.32Å; R2102-E2105 WeakPolarHBondContact CG-OE1 3.47Å; R2102-E2105 PolarHBondContact N-OE2 3.36Å; R2102-E2105 IonicContact NE-OE1 3.74Å; R2102-E2105 PolarHBondContact O-N 3.4Å |
| 2103 | E | 59 | Low | 73 | Confident | 210 Ų | 210 | 66.6 Ų | 66.6 | 98% | 0.981 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 111.9 | 174.9 | -65.1 | -172.6 | 151.4 | 0 | 0 | 109.9 | ||
| 2104 | G | 65.2 | Low | 73.5 | Confident | 67 Ų | 67 | 66.6 Ų | 66.6 | 69% | 0.691 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.9 | 1.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | R2102 | R2102-G2104 PolarHBondContact O-N 2.9Å; R2102-G2104 VanDerWaalsContact O-N 3.09Å |
| 2105 | E | 69.1 | Low | 74 | Confident | 43 Ų | 43 | 65.9 Ų | 65.9 | 20% | 0.201 | 35% | 0.345 | C | S | . | . | trans | -62 | 135.4 | 172.8 | -77 | 170.5 | 161.1 | 0 | 0 | 112 | R2102 A2163 | R2102-E2105 HydrophobicContact CB-CG 4Å; R2102-E2105 VanDerWaalsContact CD-OE1 3.27Å; R2102-E2105 WeakPolarHBondContact CD-OE1 3.32Å; R2102-E2105 WeakPolarHBondContact CG-OE1 3.47Å; R2102-E2105 PolarHBondContact N-OE2 3.36Å; R2102-E2105 IonicContact NE-OE1 3.74Å; R2102-E2105 PolarHBondContact O-N 3.4Å; E2105-A2163 HydrophobicContact CB-CB 3.99Å | ||
| 2106 | V | 72.9 | Confident | 74.9 | Confident | 78 Ų | 78 | 73 Ų | 73 | 47% | 0.473 | 37% | 0.37 | S | S | . | . | trans | -120.7 | 145.9 | 179.9 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | S2108 D2109 | V2106-S2108 WeakPolarHBondContact CB-OG 3.31Å; V2106-S2108 WeakPolarHBondContact CG1-OG 3.36Å; V2106-S2108 PolarHBondContact O-N 3.26Å; V2106-D2109 PolarHBondContact N-OD2 3.39Å; V2106-D2109 WeakPolarHBondContact O-CB 3.28Å; V2106-D2109 PolarHBondContact O-N 3.35Å | ||
| 2107 | F | 79.4 | Confident | 75.8 | Confident | 11 Ų | 11 | 73 Ų | 73 | 5% | 0.048 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -53 | -28.9 | -179.5 | -174.9 | -98.8 | 0 | 0 | 0 | 114.3 | D2109 R2111 G2160 L2164 V2175 V2227 V2230 | F2107-D2109 PolarHBondContact O-N 2.83Å; F2107-R2111 PolarHBondContact O-N 3.39Å; F2107-G2160 WeakPolarHBondContact CD2-O 3.46Å; F2107-L2164 HydrophobicContact CB-CD2 3.88Å; F2107-L2164 HydrophobicContact CB-CG 4.31Å; F2107-L2164 HydrophobicContact CD2-CD1 3.84Å; F2107-L2164 HydrophobicContact CD2-CD2 4.02Å; F2107-L2164 HydrophobicContact CD2-CG 3.83Å; F2107-L2164 HydrophobicContact CE2-CD1 4.14Å; F2107-L2164 HydrophobicContact CG-CD2 4.09Å; F2107-L2164 HydrophobicContact CG-CG 4.37Å; F2107-V2175 HydrophobicContact CE2-CG1 4.41Å; F2107-V2175 HydrophobicContact CE2-CG2 4.17Å; F2107-V2175 HydrophobicContact CZ-CG2 4.36Å; F2107-V2227 HydrophobicContact CE1-CG1 4.28Å; F2107-V2227 HydrophobicContact CZ-CG1 4.29Å; F2107-V2230 HydrophobicContact CD1-CB 4.2Å; F2107-V2230 HydrophobicContact CD1-CG1 3.68Å; F2107-V2230 HydrophobicContact CD2-CG1 4.19Å; F2107-V2230 HydrophobicContact CE1-CB 3.71Å; F2107-V2230 HydrophobicContact CE1-CG1 3.67Å; F2107-V2230 HydrophobicContact CE1-CG2 4.33Å; F2107-V2230 HydrophobicContact CE2-CG1 4.19Å; F2107-V2230 HydrophobicContact CG-CG1 3.95Å; F2107-V2230 HydrophobicContact CZ-CB 3.95Å; F2107-V2230 HydrophobicContact CZ-CG1 3.93Å; F2107-V2230 HydrophobicContact CZ-CG2 4.06Å |
| 2108 | S | 77.7 | Confident | 76.4 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -53.2 | -34.1 | 174.1 | 44.5 | 0 | 0 | 0 | 0 | 113.6 | V2106 R2111 | V2106-S2108 WeakPolarHBondContact CB-OG 3.31Å; V2106-S2108 WeakPolarHBondContact CG1-OG 3.36Å; V2106-S2108 PolarHBondContact O-N 3.26Å; S2108-R2111 WeakPolarHBondContact O-CB 3.31Å; S2108-R2111 PolarHBondContact O-N 2.84Å |
| 2109 | D | 78.6 | Confident | 77.1 | Confident | 100 Ų | 100 | 79 Ų | 79 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -77.7 | -32.3 | -165.5 | -49.5 | -18.9 | 0 | 0 | 0 | 110.6 | V2106 F2107 | V2106-D2109 PolarHBondContact N-OD2 3.39Å; V2106-D2109 WeakPolarHBondContact O-CB 3.28Å; V2106-D2109 PolarHBondContact O-N 3.35Å; F2107-D2109 PolarHBondContact O-N 2.83Å |
| 2110 | H | 82.9 | Confident | 78 | Confident | 33 Ų | 33 | 77.3 Ų | 77.3 | 15% | 0.153 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -87.4 | -20.1 | 174.8 | -60.5 | -71.4 | 0 | 0 | 0 | 113.1 | E2112 A2113 I2114 V2156 S2159 | H2110-E2112 PolarHBondContact O-N 2.83Å; H2110-A2113 WeakPolarHBondContact O-CB 3.41Å; H2110-A2113 PolarHBondContact O-N 2.77Å; H2110-A2113 VanDerWaalsContact O-N 3.09Å; H2110-I2114 WeakPolarHBondContact O-CG1 3.39Å; H2110-I2114 PolarHBondContact O-N 3.06Å; H2110-V2156 HydrophobicContact CB-CG1 4.49Å; H2110-S2159 WeakPolarHBondContact CE1-CB 3.45Å |
| 2111 | R | 81.3 | Confident | 79.2 | Confident | 100 Ų | 100 | 75 Ų | 75 | 38% | 0.377 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -51.3 | -48.6 | -172.5 | -170 | -175.6 | 71.2 | 166.8 | -0.7 | 113.4 | F2107 S2108 A2113 I2114 L2115 V2227 E2231 | F2107-R2111 PolarHBondContact O-N 3.39Å; S2108-R2111 WeakPolarHBondContact O-CB 3.31Å; S2108-R2111 PolarHBondContact O-N 2.84Å; R2111-A2113 VanDerWaalsContact C-N 3.35Å; R2111-A2113 PolarHBondContact O-N 2.8Å; R2111-I2114 PolarHBondContact O-N 3.44Å; R2111-L2115 HydrophobicContact CG-CD1 4.41Å; R2111-L2115 VanDerWaalsContact O-CG 3.32Å; R2111-L2115 WeakPolarHBondContact O-CG 3.29Å; R2111-L2115 PolarHBondContact O-N 3.18Å; R2111-V2227 HydrophobicContact CG-CG1 3.77Å; R2111-E2231 VanDerWaalsContact CD-OE1 3.24Å; R2111-E2231 WeakPolarHBondContact CD-OE1 3.49Å; R2111-E2231 IonicContact CZ-OE1 3.92Å; R2111-E2231 IonicContact CZ-OE2 2.66Å; R2111-E2231 IonicContact NE-OE1 3.27Å; R2111-E2231 VanDerWaalsContact NH1-CD 3.29Å; R2111-E2231 IonicContact NH1-OE1 2.66Å; R2111-E2231 PolarHBondContact NH1-OE1 2.82Å; R2111-E2231 IonicContact NH1-OE2 3.47Å; R2111-E2231 PolarHBondContact NH1-OE2 2.83Å |
| 2112 | E | 82.6 | Confident | 80.3 | Confident | 117 Ų | 117 | 69 Ų | 69 | 55% | 0.547 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.3 | -34.2 | -176.6 | -159.9 | -168 | -144.1 | 0 | 0 | 112.3 | H2110 L2115 R2116 | H2110-E2112 PolarHBondContact O-N 2.83Å; E2112-L2115 PolarHBondContact O-N 3.02Å; E2112-R2116 WeakPolarHBondContact O-CB 3.42Å; E2112-R2116 WeakPolarHBondContact O-CG 3.32Å; E2112-R2116 PolarHBondContact O-N 2.88Å; E2112-R2116 IonicContact OE2-CZ 3.87Å; E2112-R2116 IonicContact OE2-NE 3.36Å; E2112-R2116 PolarHBondContact OE2-NE 3.16Å; E2112-R2116 IonicContact OE2-NH2 3.61Å; E2112-R2116 PolarHBondContact OE2-NH2 3.09Å |
| 2113 | A | 84 | Confident | 81.6 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | H2110 R2111 L2115 R2116 T2117 V2156 | H2110-A2113 WeakPolarHBondContact O-CB 3.41Å; H2110-A2113 PolarHBondContact O-N 2.77Å; H2110-A2113 VanDerWaalsContact O-N 3.09Å; R2111-A2113 VanDerWaalsContact C-N 3.35Å; R2111-A2113 PolarHBondContact O-N 2.8Å; A2113-L2115 VanDerWaalsContact C-N 3.35Å; A2113-L2115 PolarHBondContact O-N 3.33Å; A2113-R2116 PolarHBondContact O-N 2.81Å; A2113-T2117 PolarHBondContact O-N 3.01Å; A2113-T2117 PolarHBondContact O-OG1 3.19Å; A2113-V2156 HydrophobicContact CB-CG1 3.49Å; A2113-V2156 VanDerWaalsContact CB-CG1 3.49Å; A2113-V2156 HydrophobicContact CB-CG2 4.32Å |
| 2114 | I | 85.5 | Confident | 83 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 173.4 | -56.9 | 169.5 | 0 | 0 | 0 | 110.4 | H2110 R2111 R2116 T2117 A2118 L2153 V2156 V2157 V2227 | H2110-I2114 WeakPolarHBondContact O-CG1 3.39Å; H2110-I2114 PolarHBondContact O-N 3.06Å; R2111-I2114 PolarHBondContact O-N 3.44Å; I2114-R2116 PolarHBondContact O-N 2.94Å; I2114-T2117 WeakPolarHBondContact CA-OG1 3.49Å; I2114-T2117 PolarHBondContact O-OG1 3.12Å; I2114-A2118 WeakPolarHBondContact O-CB 3.27Å; I2114-A2118 PolarHBondContact O-N 3.12Å; I2114-L2153 HydrophobicContact CG2-CD1 4.04Å; I2114-V2156 HydrophobicContact CG1-CG1 3.63Å; I2114-V2157 HydrophobicContact CD1-CG2 4.14Å; I2114-V2157 HydrophobicContact CG1-CG2 4.01Å; I2114-V2157 HydrophobicContact CG2-CG2 3.97Å; I2114-V2227 HydrophobicContact CD1-CG2 4.44Å; I2114-V2227 HydrophobicContact CG2-CG2 3.8Å |
| 2115 | L | 84 | Confident | 84.2 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 178.5 | -66.7 | 175 | 0 | 0 | 0 | 112.8 | R2111 E2112 A2113 K2119 L2224 | R2111-L2115 HydrophobicContact CG-CD1 4.41Å; R2111-L2115 VanDerWaalsContact O-CG 3.32Å; R2111-L2115 WeakPolarHBondContact O-CG 3.29Å; R2111-L2115 PolarHBondContact O-N 3.18Å; E2112-L2115 PolarHBondContact O-N 3.02Å; A2113-L2115 VanDerWaalsContact C-N 3.35Å; A2113-L2115 PolarHBondContact O-N 3.33Å; L2115-K2119 WeakPolarHBondContact O-CG 3.45Å; L2115-K2119 PolarHBondContact O-N 2.64Å; L2115-L2224 HydrophobicContact CD2-CD2 3.44Å; L2115-L2224 VanDerWaalsContact CD2-CD2 3.44Å |
| 2116 | R | 86.9 | Confident | 85.2 | Confident | 159 Ų | 159 | 56.8 Ų | 56.8 | 60% | 0.6 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -69.8 | -48.6 | 176.9 | -77.5 | -172.8 | -102.5 | 144 | -9.6 | 111.8 | E2112 A2113 I2114 K2119 A2120 | E2112-R2116 WeakPolarHBondContact O-CB 3.42Å; E2112-R2116 WeakPolarHBondContact O-CG 3.32Å; E2112-R2116 PolarHBondContact O-N 2.88Å; E2112-R2116 IonicContact OE2-CZ 3.87Å; E2112-R2116 IonicContact OE2-NE 3.36Å; E2112-R2116 PolarHBondContact OE2-NE 3.16Å; E2112-R2116 IonicContact OE2-NH2 3.61Å; E2112-R2116 PolarHBondContact OE2-NH2 3.09Å; A2113-R2116 PolarHBondContact O-N 2.81Å; I2114-R2116 PolarHBondContact O-N 2.94Å; R2116-K2119 PolarHBondContact O-N 3.3Å; R2116-A2120 PolarHBondContact O-N 3.49Å |
| 2117 | T | 88.9 | Confident | 85.9 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -45 | 176.3 | 38.1 | 0 | 0 | 0 | 0 | 112.5 | A2113 I2114 K2119 A2120 L2121 T2149 M2152 L2153 | A2113-T2117 PolarHBondContact O-N 3.01Å; A2113-T2117 PolarHBondContact O-OG1 3.19Å; I2114-T2117 WeakPolarHBondContact CA-OG1 3.49Å; I2114-T2117 PolarHBondContact O-OG1 3.12Å; T2117-K2119 VanDerWaalsContact C-N 3.28Å; T2117-K2119 PolarHBondContact O-N 3.09Å; T2117-A2120 PolarHBondContact O-N 3.08Å; T2117-L2121 PolarHBondContact O-N 2.75Å; T2117-L2121 VanDerWaalsContact O-N 3.15Å; T2117-T2149 WeakPolarHBondContact O-CG2 3.4Å; T2117-M2152 HydrophobicContact CG2-CB 4.11Å; T2117-M2152 HydrophobicContact CG2-CE 3.57Å; T2117-M2152 HydrophobicContact CG2-CG 3.65Å; T2117-M2152 HydrophobicContact CG2-SD 4.23Å; T2117-L2153 HydrophobicContact CG2-CB 4.49Å; T2117-L2153 WeakPolarHBondContact OG1-CD1 3.46Å |
| 2118 | A | 87 | Confident | 86.3 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -34.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | I2114 V2220 L2224 | I2114-A2118 WeakPolarHBondContact O-CB 3.27Å; I2114-A2118 PolarHBondContact O-N 3.12Å; A2118-V2220 HydrophobicContact CB-CG1 4.1Å; A2118-L2224 HydrophobicContact CB-CD2 3.89Å |
| 2119 | K | 87.8 | Confident | 86.8 | Confident | 143 Ų | 143 | 53.5 Ų | 53.5 | 62% | 0.622 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -69.4 | -43.3 | 174.7 | -76.9 | 175.4 | 178.3 | -179.6 | 0 | 112.7 | L2115 R2116 T2117 L2121 V2122 | L2115-K2119 WeakPolarHBondContact O-CG 3.45Å; L2115-K2119 PolarHBondContact O-N 2.64Å; R2116-K2119 PolarHBondContact O-N 3.3Å; T2117-K2119 VanDerWaalsContact C-N 3.28Å; T2117-K2119 PolarHBondContact O-N 3.09Å; K2119-L2121 PolarHBondContact O-N 2.94Å; K2119-V2122 PolarHBondContact O-N 2.78Å |
| 2120 | A | 89.3 | Confident | 87.1 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.4 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R2116 T2117 V2122 E2123 D2124 T2149 | R2116-A2120 PolarHBondContact O-N 3.49Å; T2117-A2120 PolarHBondContact O-N 3.08Å; A2120-V2122 VanDerWaalsContact C-N 3.25Å; A2120-V2122 PolarHBondContact O-N 3.02Å; A2120-E2123 PolarHBondContact O-N 2.77Å; A2120-D2124 PolarHBondContact O-N 3.09Å; A2120-T2149 HydrophobicContact CB-CG2 3.86Å |
| 2121 | L | 90.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.8 | -26.2 | -178.9 | -167.1 | 55.8 | 0 | 0 | 0 | 113.8 | T2117 K2119 T2125 T2149 I2150 L2153 V2182 L2186 M2216 V2220 | T2117-L2121 PolarHBondContact O-N 2.75Å; T2117-L2121 VanDerWaalsContact O-N 3.15Å; K2119-L2121 PolarHBondContact O-N 2.94Å; L2121-T2125 WeakPolarHBondContact O-CB 3.26Å; L2121-T2125 PolarHBondContact O-N 2.84Å; L2121-T2125 PolarHBondContact O-OG1 2.75Å; L2121-T2149 HydrophobicContact CB-CG2 3.75Å; L2121-T2149 HydrophobicContact CD1-CG2 4.12Å; L2121-T2149 HydrophobicContact CG-CG2 4.45Å; L2121-I2150 HydrophobicContact CD2-CD1 4.17Å; L2121-L2153 HydrophobicContact CD2-CD2 3.8Å; L2121-V2182 HydrophobicContact CD2-CG1 3.47Å; L2121-V2182 VanDerWaalsContact CD2-CG1 3.47Å; L2121-L2186 HydrophobicContact CD1-CD2 4.21Å; L2121-M2216 HydrophobicContact CD1-CE 4.01Å; L2121-M2216 HydrophobicContact CD2-CE 3.45Å; L2121-M2216 VanDerWaalsContact CD2-CE 3.45Å; L2121-M2216 HydrophobicContact CG-CE 3.52Å; L2121-V2220 HydrophobicContact CD2-CG2 4.38Å |
| 2122 | V | 89.8 | Confident | 87 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.9 | -34.8 | 172.8 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | K2119 A2120 T2125 K2126 V2220 | K2119-V2122 PolarHBondContact O-N 2.78Å; A2120-V2122 VanDerWaalsContact C-N 3.25Å; A2120-V2122 PolarHBondContact O-N 3.02Å; V2122-T2125 WeakPolarHBondContact O-CB 3.27Å; V2122-K2126 PolarHBondContact O-N 2.72Å; V2122-V2220 HydrophobicContact CG2-CB 4.3Å; V2122-V2220 HydrophobicContact CG2-CG1 3.78Å |
| 2123 | E | 90.4 | Very high | 86.7 | Confident | 103 Ų | 103 | 41.6 Ų | 41.6 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -74.1 | -40.4 | 174.6 | -57.7 | -52.5 | 138 | 0 | 0 | 111.3 | A2120 T2125 K2126 A2127 | A2120-E2123 PolarHBondContact O-N 2.77Å; E2123-T2125 VanDerWaalsContact C-N 3.27Å; E2123-T2125 PolarHBondContact O-N 2.87Å; E2123-K2126 WeakPolarHBondContact O-CB 3.4Å; E2123-K2126 PolarHBondContact O-N 3.4Å; E2123-K2126 VanDerWaalsContact O-N 3.08Å; E2123-K2126 IonicContact OE1-NZ 2.81Å; E2123-K2126 PolarHBondContact OE1-NZ 2.85Å; E2123-K2126 WeakPolarHBondContact OE2-CD 3.32Å; E2123-K2126 WeakPolarHBondContact OE2-CE 3.38Å; E2123-K2126 IonicContact OE2-NZ 3.17Å; E2123-K2126 PolarHBondContact OE2-NZ 2.89Å; E2123-A2127 PolarHBondContact O-N 2.91Å |
| 2124 | D | 90.2 | Very high | 86.4 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -38.2 | 171.5 | -67.7 | -33.2 | 0 | 0 | 0 | 111.8 | A2120 K2126 A2127 L2128 A2146 T2149 | A2120-D2124 PolarHBondContact O-N 3.09Å; D2124-K2126 VanDerWaalsContact C-N 3.34Å; D2124-K2126 PolarHBondContact O-N 2.64Å; D2124-A2127 PolarHBondContact O-N 3.42Å; D2124-L2128 PolarHBondContact O-N 2.81Å; D2124-A2146 HydrophobicContact CB-CB 4.01Å; D2124-T2149 WeakPolarHBondContact OD2-CB 3.24Å; D2124-T2149 PolarHBondContact OD2-OG1 2.9Å |
| 2125 | T | 89.7 | Confident | 86.1 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 174.1 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | L2121 V2122 E2123 V2129 L2189 A2213 M2216 V2217 | L2121-T2125 WeakPolarHBondContact O-CB 3.26Å; L2121-T2125 PolarHBondContact O-N 2.84Å; L2121-T2125 PolarHBondContact O-OG1 2.75Å; V2122-T2125 WeakPolarHBondContact O-CB 3.27Å; E2123-T2125 VanDerWaalsContact C-N 3.27Å; E2123-T2125 PolarHBondContact O-N 2.87Å; T2125-V2129 WeakPolarHBondContact O-CG2 3.35Å; T2125-V2129 PolarHBondContact O-N 2.64Å; T2125-L2189 HydrophobicContact CG2-CD2 3.81Å; T2125-A2213 HydrophobicContact CG2-CB 4.13Å; T2125-M2216 HydrophobicContact CG2-CB 4.3Å; T2125-M2216 HydrophobicContact CG2-CG 4.1Å; T2125-M2216 WeakPolarHBondContact OG1-CG 3.34Å; T2125-V2217 HydrophobicContact CG2-CG2 4.38Å |
| 2126 | K | 89.6 | Confident | 85.9 | Confident | 116 Ų | 116 | 45.5 Ų | 45.5 | 50% | 0.504 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 174.5 | -63.2 | 173 | -159.9 | 162.6 | 0 | 111.6 | V2122 E2123 D2124 L2128 V2129 A2130 | V2122-K2126 PolarHBondContact O-N 2.72Å; E2123-K2126 WeakPolarHBondContact O-CB 3.4Å; E2123-K2126 PolarHBondContact O-N 3.4Å; E2123-K2126 VanDerWaalsContact O-N 3.08Å; E2123-K2126 IonicContact OE1-NZ 2.81Å; E2123-K2126 PolarHBondContact OE1-NZ 2.85Å; E2123-K2126 WeakPolarHBondContact OE2-CD 3.32Å; E2123-K2126 WeakPolarHBondContact OE2-CE 3.38Å; E2123-K2126 IonicContact OE2-NZ 3.17Å; E2123-K2126 PolarHBondContact OE2-NZ 2.89Å; D2124-K2126 VanDerWaalsContact C-N 3.34Å; D2124-K2126 PolarHBondContact O-N 2.64Å; K2126-L2128 VanDerWaalsContact C-N 3.32Å; K2126-L2128 PolarHBondContact O-N 3.33Å; K2126-V2129 PolarHBondContact O-N 3.31Å; K2126-A2130 PolarHBondContact O-N 3.16Å |
| 2127 | A | 88.8 | Confident | 85.5 | Confident | 42 Ų | 42 | 43.4 Ų | 43.4 | 35% | 0.347 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.1 | -38.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | E2123 D2124 A2130 G2131 A2142 | E2123-A2127 PolarHBondContact O-N 2.91Å; D2124-A2127 PolarHBondContact O-N 3.42Å; A2127-A2130 PolarHBondContact O-N 2.94Å; A2127-G2131 PolarHBondContact O-N 2.9Å; A2127-A2142 HydrophobicContact CB-CB 4.08Å |
| 2128 | L | 87.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 173.5 | -83.1 | 168.2 | 0 | 0 | 0 | 112.6 | D2124 K2126 A2130 G2131 A2132 L2139 A2142 A2143 A2146 L2186 L2189 I2190 T2193 | D2124-L2128 PolarHBondContact O-N 2.81Å; K2126-L2128 VanDerWaalsContact C-N 3.32Å; K2126-L2128 PolarHBondContact O-N 3.33Å; L2128-A2130 VanDerWaalsContact C-N 3.34Å; L2128-A2130 PolarHBondContact O-N 2.98Å; L2128-G2131 PolarHBondContact O-N 3.46Å; L2128-A2132 PolarHBondContact O-N 3.41Å; L2128-A2132 VanDerWaalsContact O-N 3.1Å; L2128-L2139 HydrophobicContact CD2-CD1 4.44Å; L2128-A2142 HydrophobicContact CD2-CB 4.18Å; L2128-A2142 HydrophobicContact CG-CB 4.29Å; L2128-A2143 HydrophobicContact CD2-CB 4.22Å; L2128-A2146 HydrophobicContact CD1-CB 3.83Å; L2128-L2186 HydrophobicContact CD1-CD1 4.1Å; L2128-L2189 HydrophobicContact CD1-CD2 3.88Å; L2128-L2189 HydrophobicContact CD1-CG 4.33Å; L2128-I2190 HydrophobicContact CD1-CG1 4.36Å; L2128-T2193 HydrophobicContact CD2-CG2 4.24Å |
| 2129 | V | 87.5 | Confident | 85.1 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 21% | 0.212 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -38.6 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | T2125 K2126 L2209 A2213 | T2125-V2129 WeakPolarHBondContact O-CG2 3.35Å; T2125-V2129 PolarHBondContact O-N 2.64Å; K2126-V2129 PolarHBondContact O-N 3.31Å; V2129-L2209 HydrophobicContact CG2-CD1 4.27Å; V2129-L2209 HydrophobicContact CG2-CG 4.27Å; V2129-A2213 HydrophobicContact CG2-CB 3.56Å |
| 2130 | A | 85.1 | Confident | 84.8 | Confident | 60 Ų | 60 | 42.9 Ų | 42.9 | 50% | 0.496 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.1 | -39.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K2126 A2127 L2128 A2132 A2133 | K2126-A2130 PolarHBondContact O-N 3.16Å; A2127-A2130 PolarHBondContact O-N 2.94Å; L2128-A2130 VanDerWaalsContact C-N 3.34Å; L2128-A2130 PolarHBondContact O-N 2.98Å; A2130-A2132 VanDerWaalsContact C-N 3.34Å; A2130-A2132 PolarHBondContact O-N 2.95Å; A2130-A2133 PolarHBondContact O-N 3.48Å |
| 2131 | G | 81.5 | Confident | 84.6 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -29.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A2127 L2128 A2133 S2134 | A2127-G2131 PolarHBondContact O-N 2.9Å; L2128-G2131 PolarHBondContact O-N 3.46Å; G2131-A2133 PolarHBondContact O-N 2.87Å; G2131-S2134 PolarHBondContact O-N 3.26Å |
| 2132 | A | 80.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -35.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L2128 A2130 T2193 A2196 G2198 M2206 L2209 | L2128-A2132 PolarHBondContact O-N 3.41Å; L2128-A2132 VanDerWaalsContact O-N 3.1Å; A2130-A2132 VanDerWaalsContact C-N 3.34Å; A2130-A2132 PolarHBondContact O-N 2.95Å; A2132-T2193 HydrophobicContact CB-CG2 4.1Å; A2132-A2196 HydrophobicContact CB-CB 4.42Å; A2132-G2198 PolarHBondContact O-N 2.66Å; A2132-G2198 VanDerWaalsContact O-N 3.12Å; A2132-M2206 HydrophobicContact CB-CE 4.49Å; A2132-L2209 HydrophobicContact CB-CD2 3.35Å |
| 2133 | A | 76 | Confident | 84.3 | Confident | 36 Ų | 36 | 43.2 Ų | 43.2 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 3.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A2130 G2131 F2201 M2206 | A2130-A2133 PolarHBondContact O-N 3.48Å; G2131-A2133 PolarHBondContact O-N 2.87Å; A2133-F2201 HydrophobicContact CB-CD2 4.05Å; A2133-F2201 HydrophobicContact CB-CE1 3.98Å; A2133-F2201 HydrophobicContact CB-CE2 3.46Å; A2133-F2201 VanDerWaalsContact CB-CE2 3.46Å; A2133-F2201 HydrophobicContact CB-CZ 3.42Å; A2133-F2201 VanDerWaalsContact CB-CZ 3.42Å; A2133-M2206 HydrophobicContact CB-CE 3.95Å |
| 2134 | S | 78.2 | Confident | 84.2 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -115 | -152 | -177.9 | 82.4 | 0 | 0 | 0 | 0 | 112 | G2131 Q2138 | G2131-S2134 PolarHBondContact O-N 3.26Å; S2134-Q2138 VanDerWaalsContact CB-OE1 3.23Å; S2134-Q2138 WeakPolarHBondContact OG-CB 3.34Å; S2134-Q2138 PolarHBondContact OG-OE1 3.18Å |
| 2135 | S | 79.8 | Confident | 84.1 | Confident | 56 Ų | 56 | 45.8 Ų | 45.8 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | trans | -76.7 | 149.1 | -177 | 75.4 | 0 | 0 | 0 | 0 | 112.1 | E2137 Q2138 L2139 | S2135-E2137 PolarHBondContact O-N 3.42Å; S2135-Q2138 PolarHBondContact O-N 2.81Å; S2135-Q2138 VanDerWaalsContact O-N 3.1Å; S2135-Q2138 PolarHBondContact OG-N 3.48Å; S2135-L2139 PolarHBondContact O-N 2.9Å | ||
| 2136 | Q | 79.5 | Confident | 84.1 | Confident | 55 Ų | 55 | 45.6 Ų | 45.6 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -53.2 | -23.7 | 172.7 | -72.4 | -68.9 | -43.5 | 0 | 0 | 113.3 | G2068 T2069 A2140 S2197 | G2068-Q2136 WeakPolarHBondContact CA-O 3.4Å; G2068-Q2136 VanDerWaalsContact CA-OE1 3.22Å; G2068-Q2136 PolarHBondContact N-O 3.38Å; T2069-Q2136 VanDerWaalsContact N-OE1 3.13Å; Q2136-A2140 PolarHBondContact O-N 3.03Å; Q2136-S2197 PolarHBondContact NE2-OG 3.08Å |
| 2137 | E | 78.8 | Confident | 84 | Confident | 114 Ų | 114 | 41.1 Ų | 41.1 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -80.3 | -43.5 | 178.3 | -168.3 | 154.2 | -112.7 | 0 | 0 | 112.5 | K2067 S2135 L2139 A2140 V2141 | K2067-E2137 IonicContact NZ-OE1 2.76Å; S2135-E2137 PolarHBondContact O-N 3.42Å; E2137-L2139 VanDerWaalsContact C-N 3.32Å; E2137-L2139 PolarHBondContact O-N 2.86Å; E2137-A2140 WeakPolarHBondContact O-CB 3.49Å; E2137-A2140 PolarHBondContact O-N 3.47Å; E2137-V2141 PolarHBondContact O-N 2.97Å |
| 2138 | Q | 81.5 | Confident | 84 | Confident | 121 Ų | 121 | 48.2 Ų | 48.2 | 57% | 0.565 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64 | -39.8 | 173.3 | -72.6 | -178.1 | -4.3 | 0 | 0 | 111.5 | S2134 S2135 A2140 V2141 A2142 | S2134-Q2138 VanDerWaalsContact CB-OE1 3.23Å; S2134-Q2138 WeakPolarHBondContact OG-CB 3.34Å; S2134-Q2138 PolarHBondContact OG-OE1 3.18Å; S2135-Q2138 PolarHBondContact O-N 2.81Å; S2135-Q2138 VanDerWaalsContact O-N 3.1Å; S2135-Q2138 PolarHBondContact OG-N 3.48Å; Q2138-A2140 VanDerWaalsContact C-N 3.31Å; Q2138-A2140 PolarHBondContact O-N 3.43Å; Q2138-V2141 PolarHBondContact O-N 3.44Å; Q2138-A2142 WeakPolarHBondContact O-CB 3.48Å; Q2138-A2142 PolarHBondContact O-N 2.99Å |
| 2139 | L | 85.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 173.3 | 177.9 | 55.3 | 0 | 0 | 0 | 112.2 | L2128 S2135 E2137 A2142 A2143 T2193 S2197 | L2128-L2139 HydrophobicContact CD2-CD1 4.44Å; S2135-L2139 PolarHBondContact O-N 2.9Å; E2137-L2139 VanDerWaalsContact C-N 3.32Å; E2137-L2139 PolarHBondContact O-N 2.86Å; L2139-A2142 PolarHBondContact O-N 3.43Å; L2139-A2143 WeakPolarHBondContact O-CB 3.39Å; L2139-A2143 PolarHBondContact O-N 3.32Å; L2139-T2193 HydrophobicContact CD1-CG2 3.36Å; L2139-S2197 WeakPolarHBondContact CD2-OG 3.44Å |
| 2140 | A | 81.4 | Confident | 84.3 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2071 Q2136 E2137 Q2138 A2143 Q2144 | A2071-A2140 HydrophobicContact CB-CB 3.73Å; Q2136-A2140 PolarHBondContact O-N 3.03Å; E2137-A2140 WeakPolarHBondContact O-CB 3.49Å; E2137-A2140 PolarHBondContact O-N 3.47Å; Q2138-A2140 VanDerWaalsContact C-N 3.31Å; Q2138-A2140 PolarHBondContact O-N 3.43Å; A2140-A2143 PolarHBondContact O-N 3.16Å; A2140-Q2144 WeakPolarHBondContact O-CG 3.33Å; A2140-Q2144 PolarHBondContact O-N 2.83Å |
| 2141 | V | 85.9 | Confident | 84.4 | Confident | 75 Ų | 75 | 47 Ų | 47 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.2 | -43.3 | 177.5 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | E2137 Q2138 A2143 Q2144 N2145 | E2137-V2141 PolarHBondContact O-N 2.97Å; Q2138-V2141 PolarHBondContact O-N 3.44Å; V2141-A2143 PolarHBondContact O-N 2.86Å; V2141-Q2144 PolarHBondContact O-N 3.12Å; V2141-N2145 WeakPolarHBondContact O-CB 3.41Å; V2141-N2145 PolarHBondContact O-N 3Å |
| 2142 | A | 86.5 | Confident | 84.8 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 5% | 0.05 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A2127 L2128 Q2138 L2139 A2146 | A2127-A2142 HydrophobicContact CB-CB 4.08Å; L2128-A2142 HydrophobicContact CD2-CB 4.18Å; L2128-A2142 HydrophobicContact CG-CB 4.29Å; Q2138-A2142 WeakPolarHBondContact O-CB 3.48Å; Q2138-A2142 PolarHBondContact O-N 2.99Å; L2139-A2142 PolarHBondContact O-N 3.43Å; A2142-A2146 WeakPolarHBondContact O-CB 3.33Å; A2142-A2146 PolarHBondContact O-N 3.45Å; A2142-A2146 VanDerWaalsContact O-N 3.11Å |
| 2143 | A | 87.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A2071 A2075 L2128 L2139 A2140 V2141 A2146 V2147 | A2071-A2143 HydrophobicContact CB-CB 4.28Å; A2075-A2143 HydrophobicContact CB-CB 4.29Å; L2128-A2143 HydrophobicContact CD2-CB 4.22Å; L2139-A2143 WeakPolarHBondContact O-CB 3.39Å; L2139-A2143 PolarHBondContact O-N 3.32Å; A2140-A2143 PolarHBondContact O-N 3.16Å; V2141-A2143 PolarHBondContact O-N 2.86Å; A2143-A2146 PolarHBondContact O-N 3.15Å; A2143-V2147 VanDerWaalsContact O-CG2 3.29Å; A2143-V2147 WeakPolarHBondContact O-CG2 3.39Å; A2143-V2147 PolarHBondContact O-N 2.86Å; A2143-V2147 VanDerWaalsContact O-N 3.13Å |
| 2144 | Q | 87.3 | Confident | 85.8 | Confident | 108 Ų | 108 | 50 Ų | 50 | 51% | 0.505 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 178.1 | -74.1 | 176.4 | -16.9 | 0 | 0 | 112.7 | A2140 V2141 V2147 R2148 | A2140-Q2144 WeakPolarHBondContact O-CG 3.33Å; A2140-Q2144 PolarHBondContact O-N 2.83Å; V2141-Q2144 PolarHBondContact O-N 3.12Å; Q2144-V2147 PolarHBondContact O-N 2.82Å; Q2144-R2148 PolarHBondContact O-N 3.29Å |
| 2145 | N | 88.9 | Confident | 86.1 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63 | -48 | 176.3 | -72.8 | -15 | 0 | 0 | 0 | 111.2 | V2141 V2147 R2148 T2149 | V2141-N2145 WeakPolarHBondContact O-CB 3.41Å; V2141-N2145 PolarHBondContact O-N 3Å; N2145-V2147 VanDerWaalsContact C-N 3.26Å; N2145-V2147 PolarHBondContact O-N 2.88Å; N2145-R2148 PolarHBondContact O-N 3.07Å; N2145-R2148 VanDerWaalsContact O-N 3.11Å; N2145-T2149 PolarHBondContact O-N 3.47Å; N2145-T2149 PolarHBondContact O-OG1 3.27Å; N2145-T2149 VanDerWaalsContact O-OG1 3.12Å |
| 2146 | A | 89.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.6 | -39.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | D2124 L2128 A2142 A2143 T2149 I2150 L2186 | D2124-A2146 HydrophobicContact CB-CB 4.01Å; L2128-A2146 HydrophobicContact CD1-CB 3.83Å; A2142-A2146 WeakPolarHBondContact O-CB 3.33Å; A2142-A2146 PolarHBondContact O-N 3.45Å; A2142-A2146 VanDerWaalsContact O-N 3.11Å; A2143-A2146 PolarHBondContact O-N 3.15Å; A2146-T2149 PolarHBondContact O-N 3.48Å; A2146-I2150 WeakPolarHBondContact O-CG2 3.37Å; A2146-I2150 PolarHBondContact O-N 3.33Å; A2146-L2186 HydrophobicContact CB-CD1 4.12Å |
| 2147 | V | 88 | Confident | 86.8 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -48.8 | 174.3 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | A2075 T2078 A2143 Q2144 N2145 T2149 I2150 V2151 | A2075-V2147 VanDerWaalsContact CA-CG2 3.49Å; A2075-V2147 HydrophobicContact CB-CG2 3.28Å; T2078-V2147 HydrophobicContact CG2-CG1 3.69Å; A2143-V2147 VanDerWaalsContact O-CG2 3.29Å; A2143-V2147 WeakPolarHBondContact O-CG2 3.39Å; A2143-V2147 PolarHBondContact O-N 2.86Å; A2143-V2147 VanDerWaalsContact O-N 3.13Å; Q2144-V2147 PolarHBondContact O-N 2.82Å; N2145-V2147 VanDerWaalsContact C-N 3.26Å; N2145-V2147 PolarHBondContact O-N 2.88Å; V2147-T2149 VanDerWaalsContact C-N 3.25Å; V2147-T2149 PolarHBondContact O-N 3.05Å; V2147-I2150 VanDerWaalsContact O-CG2 3.23Å; V2147-I2150 WeakPolarHBondContact O-CG2 3.47Å; V2147-I2150 PolarHBondContact O-N 3.25Å; V2147-V2151 HydrophobicContact CG1-CG2 4.39Å; V2147-V2151 WeakPolarHBondContact O-CG2 3.46Å; V2147-V2151 PolarHBondContact O-N 3.41Å |
| 2148 | R | 87.6 | Confident | 87 | Confident | 191 Ų | 191 | 44.4 Ų | 44.4 | 72% | 0.721 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -58.1 | -41.4 | 177.9 | -178.9 | 179.1 | -79.3 | -175.2 | -5.8 | 110.9 | Q2144 N2145 M2152 | Q2144-R2148 PolarHBondContact O-N 3.29Å; N2145-R2148 PolarHBondContact O-N 3.07Å; N2145-R2148 VanDerWaalsContact O-N 3.11Å; R2148-M2152 WeakPolarHBondContact O-CB 3.07Å; R2148-M2152 PolarHBondContact O-N 3.09Å; R2148-M2152 VanDerWaalsContact O-N 3.1Å |
| 2149 | T | 89.9 | Confident | 87 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 9% | 0.086 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.2 | -42.3 | 178.9 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | T2117 A2120 L2121 D2124 N2145 A2146 V2147 M2152 L2153 | T2117-T2149 WeakPolarHBondContact O-CG2 3.4Å; A2120-T2149 HydrophobicContact CB-CG2 3.86Å; L2121-T2149 HydrophobicContact CB-CG2 3.75Å; L2121-T2149 HydrophobicContact CD1-CG2 4.12Å; L2121-T2149 HydrophobicContact CG-CG2 4.45Å; D2124-T2149 WeakPolarHBondContact OD2-CB 3.24Å; D2124-T2149 PolarHBondContact OD2-OG1 2.9Å; N2145-T2149 PolarHBondContact O-N 3.47Å; N2145-T2149 PolarHBondContact O-OG1 3.27Å; N2145-T2149 VanDerWaalsContact O-OG1 3.12Å; A2146-T2149 PolarHBondContact O-N 3.48Å; V2147-T2149 VanDerWaalsContact C-N 3.25Å; V2147-T2149 PolarHBondContact O-N 3.05Å; T2149-M2152 PolarHBondContact O-N 3.21Å; T2149-L2153 WeakPolarHBondContact O-CB 3.36Å; T2149-L2153 PolarHBondContact O-N 3.23Å |
| 2150 | I | 91.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.4 | -33.6 | 177.4 | -170.6 | 59.8 | 0 | 0 | 0 | 112.7 | V2079 I2082 L2121 A2146 V2147 L2153 S2154 V2179 V2182 A2183 L2186 | V2079-I2150 HydrophobicContact CG2-CG2 4.1Å; I2082-I2150 HydrophobicContact CD1-CG1 4.47Å; I2082-I2150 HydrophobicContact CD1-CG2 3.77Å; L2121-I2150 HydrophobicContact CD2-CD1 4.17Å; A2146-I2150 WeakPolarHBondContact O-CG2 3.37Å; A2146-I2150 PolarHBondContact O-N 3.33Å; V2147-I2150 VanDerWaalsContact O-CG2 3.23Å; V2147-I2150 WeakPolarHBondContact O-CG2 3.47Å; V2147-I2150 PolarHBondContact O-N 3.25Å; I2150-L2153 HydrophobicContact CD1-CB 4.42Å; I2150-L2153 HydrophobicContact CD1-CD2 3.98Å; I2150-L2153 PolarHBondContact O-N 2.77Å; I2150-S2154 WeakPolarHBondContact O-CB 3.38Å; I2150-S2154 PolarHBondContact O-N 3.34Å; I2150-S2154 PolarHBondContact O-OG 3.33Å; I2150-V2179 HydrophobicContact CD1-CG2 4.38Å; I2150-V2182 HydrophobicContact CD1-CG1 4.11Å; I2150-A2183 HydrophobicContact CD1-CB 4.18Å; I2150-A2183 HydrophobicContact CG1-CB 4.19Å; I2150-L2186 HydrophobicContact CB-CD2 3.65Å; I2150-L2186 HydrophobicContact CG1-CD2 4.04Å; I2150-L2186 HydrophobicContact CG2-CD2 3.59Å |
| 2151 | V | 87.9 | Confident | 86.9 | Confident | 54 Ų | 54 | 40 Ų | 40 | 33% | 0.327 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.8 | -53.7 | 170.7 | 171.2 | 0 | 0 | 0 | 0 | 109.2 | I2082 V2147 L2153 S2154 E2155 | I2082-V2151 HydrophobicContact CD1-CB 4.44Å; I2082-V2151 HydrophobicContact CD1-CG2 3.54Å; I2082-V2151 HydrophobicContact CG1-CG2 4.32Å; V2147-V2151 HydrophobicContact CG1-CG2 4.39Å; V2147-V2151 WeakPolarHBondContact O-CG2 3.46Å; V2147-V2151 PolarHBondContact O-N 3.41Å; V2151-L2153 VanDerWaalsContact C-N 3.34Å; V2151-L2153 PolarHBondContact O-N 3.28Å; V2151-S2154 PolarHBondContact O-N 3.17Å; V2151-S2154 VanDerWaalsContact O-N 3.12Å; V2151-S2154 PolarHBondContact O-OG 3.25Å; V2151-E2155 PolarHBondContact O-N 2.88Å |
| 2152 | M | 89 | Confident | 86.5 | Confident | 100 Ų | 100 | 36.8 Ų | 36.8 | 49% | 0.493 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 179.1 | -170.8 | 167.3 | 62.7 | 0 | 0 | 112.4 | T2117 R2148 T2149 V2156 | T2117-M2152 HydrophobicContact CG2-CB 4.11Å; T2117-M2152 HydrophobicContact CG2-CE 3.57Å; T2117-M2152 HydrophobicContact CG2-CG 3.65Å; T2117-M2152 HydrophobicContact CG2-SD 4.23Å; R2148-M2152 WeakPolarHBondContact O-CB 3.07Å; R2148-M2152 PolarHBondContact O-N 3.09Å; R2148-M2152 VanDerWaalsContact O-N 3.1Å; T2149-M2152 PolarHBondContact O-N 3.21Å; M2152-V2156 WeakPolarHBondContact O-CB 3.49Å; M2152-V2156 VanDerWaalsContact O-CG2 3.24Å; M2152-V2156 WeakPolarHBondContact O-CG2 3.36Å; M2152-V2156 PolarHBondContact O-N 3.39Å; M2152-V2156 VanDerWaalsContact O-N 3.14Å |
| 2153 | L | 90.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 174.6 | -178.3 | 61.6 | 0 | 0 | 0 | 111.7 | I2114 T2117 L2121 T2149 I2150 V2151 V2157 V2179 V2182 L2223 | I2114-L2153 HydrophobicContact CG2-CD1 4.04Å; T2117-L2153 HydrophobicContact CG2-CB 4.49Å; T2117-L2153 WeakPolarHBondContact OG1-CD1 3.46Å; L2121-L2153 HydrophobicContact CD2-CD2 3.8Å; T2149-L2153 WeakPolarHBondContact O-CB 3.36Å; T2149-L2153 PolarHBondContact O-N 3.23Å; I2150-L2153 HydrophobicContact CD1-CB 4.42Å; I2150-L2153 HydrophobicContact CD1-CD2 3.98Å; I2150-L2153 PolarHBondContact O-N 2.77Å; V2151-L2153 VanDerWaalsContact C-N 3.34Å; V2151-L2153 PolarHBondContact O-N 3.28Å; L2153-V2157 HydrophobicContact CD1-CG2 4.12Å; L2153-V2157 WeakPolarHBondContact O-CB 3.37Å; L2153-V2157 VanDerWaalsContact O-CG2 3.23Å; L2153-V2157 WeakPolarHBondContact O-CG2 3.44Å; L2153-V2157 PolarHBondContact O-N 3.33Å; L2153-V2179 HydrophobicContact CD2-CG2 4.12Å; L2153-V2179 HydrophobicContact CG-CG2 3.91Å; L2153-V2182 HydrophobicContact CD2-CG1 4.13Å; L2153-L2223 HydrophobicContact CD1-CD2 4.14Å; L2153-L2223 HydrophobicContact CD2-CD2 4Å; L2153-L2223 HydrophobicContact CG-CD2 4.48Å |
| 2154 | S | 87.9 | Confident | 85.5 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.7 | -42.3 | -179.2 | 73.2 | 0 | 0 | 0 | 0 | 112.7 | I2150 V2151 V2157 K2158 | I2150-S2154 WeakPolarHBondContact O-CB 3.38Å; I2150-S2154 PolarHBondContact O-N 3.34Å; I2150-S2154 PolarHBondContact O-OG 3.33Å; V2151-S2154 PolarHBondContact O-N 3.17Å; V2151-S2154 VanDerWaalsContact O-N 3.12Å; V2151-S2154 PolarHBondContact O-OG 3.25Å; S2154-V2157 PolarHBondContact O-N 3.41Å; S2154-K2158 WeakPolarHBondContact O-CG 3.48Å; S2154-K2158 PolarHBondContact O-N 2.99Å |
| 2155 | E | 84.6 | Confident | 84.7 | Confident | 91 Ų | 91 | 36.5 Ų | 36.5 | 43% | 0.425 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.6 | -48.7 | 176.4 | -65.9 | -57.6 | 154.3 | 0 | 0 | 111.5 | V2151 V2157 K2158 S2159 | V2151-E2155 PolarHBondContact O-N 2.88Å; E2155-V2157 VanDerWaalsContact C-N 3.28Å; E2155-V2157 PolarHBondContact O-N 2.8Å; E2155-K2158 VanDerWaalsContact CD-CE 3.44Å; E2155-K2158 PolarHBondContact O-N 2.86Å; E2155-K2158 VanDerWaalsContact O-N 3.11Å; E2155-K2158 IonicContact OE1-NZ 3.51Å; E2155-K2158 PolarHBondContact OE1-NZ 2.92Å; E2155-K2158 WeakPolarHBondContact OE2-CE 3.37Å; E2155-K2158 IonicContact OE2-NZ 2.65Å; E2155-K2158 PolarHBondContact OE2-NZ 2.62Å; E2155-S2159 PolarHBondContact O-N 2.93Å; E2155-S2159 PolarHBondContact O-OG 2.62Å |
| 2156 | V | 86.4 | Confident | 83.6 | Confident | 28 Ų | 28 | 35.8 Ų | 35.8 | 17% | 0.17 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -36.1 | 179 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | H2110 A2113 I2114 M2152 G2160 | H2110-V2156 HydrophobicContact CB-CG1 4.49Å; A2113-V2156 HydrophobicContact CB-CG1 3.49Å; A2113-V2156 VanDerWaalsContact CB-CG1 3.49Å; A2113-V2156 HydrophobicContact CB-CG2 4.32Å; I2114-V2156 HydrophobicContact CG1-CG1 3.63Å; M2152-V2156 WeakPolarHBondContact O-CB 3.49Å; M2152-V2156 VanDerWaalsContact O-CG2 3.24Å; M2152-V2156 WeakPolarHBondContact O-CG2 3.36Å; M2152-V2156 PolarHBondContact O-N 3.39Å; M2152-V2156 VanDerWaalsContact O-N 3.14Å; V2156-G2160 PolarHBondContact O-N 3.42Å |
| 2157 | V | 87.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71 | -36.8 | 174.5 | 169.6 | 0 | 0 | 0 | 0 | 112.1 | I2114 L2153 S2154 E2155 G2160 A2161 V2175 V2179 | I2114-V2157 HydrophobicContact CD1-CG2 4.14Å; I2114-V2157 HydrophobicContact CG1-CG2 4.01Å; I2114-V2157 HydrophobicContact CG2-CG2 3.97Å; L2153-V2157 HydrophobicContact CD1-CG2 4.12Å; L2153-V2157 WeakPolarHBondContact O-CB 3.37Å; L2153-V2157 VanDerWaalsContact O-CG2 3.23Å; L2153-V2157 WeakPolarHBondContact O-CG2 3.44Å; L2153-V2157 PolarHBondContact O-N 3.33Å; S2154-V2157 PolarHBondContact O-N 3.41Å; E2155-V2157 VanDerWaalsContact C-N 3.28Å; E2155-V2157 PolarHBondContact O-N 2.8Å; V2157-G2160 PolarHBondContact O-N 2.94Å; V2157-A2161 WeakPolarHBondContact O-CB 3.14Å; V2157-A2161 PolarHBondContact O-N 3.17Å; V2157-V2175 HydrophobicContact CG1-CG1 3.84Å; V2157-V2179 HydrophobicContact CB-CB 4.29Å; V2157-V2179 HydrophobicContact CB-CG1 4.01Å; V2157-V2179 HydrophobicContact CG1-CB 3.99Å; V2157-V2179 HydrophobicContact CG1-CG1 3.44Å; V2157-V2179 VanDerWaalsContact CG1-CG1 3.44Å; V2157-V2179 HydrophobicContact CG2-CB 4.2Å; V2157-V2179 HydrophobicContact CG2-CG1 4.46Å; V2157-V2179 HydrophobicContact CG2-CG2 4.33Å |
| 2158 | K | 83.6 | Confident | 81.8 | Confident | 33 Ų | 33 | 46.3 Ų | 46.3 | 14% | 0.143 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 173.2 | -77 | -177.3 | -65.1 | 175.4 | 0 | 111.5 | D2085 L2086 T2089 S2154 E2155 A2161 A2162 | D2085-K2158 IonicContact OD2-NZ 3.19Å; D2085-K2158 PolarHBondContact OD2-NZ 3.39Å; L2086-K2158 HydrophobicContact CD2-CG 4.4Å; T2089-K2158 HydrophobicContact CG2-CD 4.37Å; T2089-K2158 HydrophobicContact CG2-CG 4.04Å; S2154-K2158 WeakPolarHBondContact O-CG 3.48Å; S2154-K2158 PolarHBondContact O-N 2.99Å; E2155-K2158 VanDerWaalsContact CD-CE 3.44Å; E2155-K2158 PolarHBondContact O-N 2.86Å; E2155-K2158 VanDerWaalsContact O-N 3.11Å; E2155-K2158 IonicContact OE1-NZ 3.51Å; E2155-K2158 PolarHBondContact OE1-NZ 2.92Å; E2155-K2158 WeakPolarHBondContact OE2-CE 3.37Å; E2155-K2158 IonicContact OE2-NZ 2.65Å; E2155-K2158 PolarHBondContact OE2-NZ 2.62Å; K2158-A2161 PolarHBondContact O-N 3.05Å; K2158-A2162 PolarHBondContact O-N 3.27Å |
| 2159 | S | 81.8 | Confident | 81 | Confident | 46 Ų | 46 | 38.3 Ų | 38.3 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 174.6 | -51.7 | 0 | 0 | 0 | 0 | 111.8 | H2110 E2155 A2161 A2162 A2163 | H2110-S2159 WeakPolarHBondContact CE1-CB 3.45Å; E2155-S2159 PolarHBondContact O-N 2.93Å; E2155-S2159 PolarHBondContact O-OG 2.62Å; S2159-A2161 VanDerWaalsContact C-N 3.29Å; S2159-A2161 PolarHBondContact O-N 3.36Å; S2159-A2162 PolarHBondContact O-N 3.02Å; S2159-A2162 VanDerWaalsContact O-N 3.11Å; S2159-A2163 PolarHBondContact O-N 3.14Å |
| 2160 | G | 81.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.7 | -39.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F2107 V2156 V2157 | F2107-G2160 WeakPolarHBondContact CD2-O 3.46Å; V2156-G2160 PolarHBondContact O-N 3.42Å; V2157-G2160 PolarHBondContact O-N 2.94Å |
| 2161 | A | 81.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.2 | -36.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L2098 V2157 K2158 S2159 A2163 L2164 Q2172 I2176 | L2098-A2161 HydrophobicContact CD2-CB 4.24Å; V2157-A2161 WeakPolarHBondContact O-CB 3.14Å; V2157-A2161 PolarHBondContact O-N 3.17Å; K2158-A2161 PolarHBondContact O-N 3.05Å; S2159-A2161 VanDerWaalsContact C-N 3.29Å; S2159-A2161 PolarHBondContact O-N 3.36Å; A2161-A2163 VanDerWaalsContact C-N 3.34Å; A2161-L2164 WeakPolarHBondContact O-CB 3.27Å; A2161-L2164 PolarHBondContact O-N 3.47Å; A2161-Q2172 WeakPolarHBondContact O-CG 3.26Å; A2161-Q2172 PolarHBondContact O-NE2 2.94Å; A2161-I2176 HydrophobicContact CB-CD1 3.8Å; A2161-I2176 HydrophobicContact CB-CG1 3.63Å |
| 2162 | A | 77.6 | Confident | 79 | Confident | 8 Ų | 8 | 39.3 Ų | 39.3 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.7 | -32.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L2098 P2100 K2158 S2159 L2164 | L2098-A2162 HydrophobicContact CD1-CB 4.49Å; L2098-A2162 HydrophobicContact CG-CB 4.36Å; P2100-A2162 WeakPolarHBondContact CA-O 3.36Å; P2100-A2162 WeakPolarHBondContact CB-O 3.44Å; P2100-A2162 WeakPolarHBondContact CD-O 3.45Å; K2158-A2162 PolarHBondContact O-N 3.27Å; S2159-A2162 PolarHBondContact O-N 3.02Å; S2159-A2162 VanDerWaalsContact O-N 3.11Å; A2162-L2164 PolarHBondContact O-N 3.24Å |
| 2163 | A | 78.2 | Confident | 78.6 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -12.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E2105 S2159 A2161 | E2105-A2163 HydrophobicContact CB-CB 3.99Å; S2159-A2163 PolarHBondContact O-N 3.14Å; A2161-A2163 VanDerWaalsContact C-N 3.34Å |
| 2164 | L | 75.5 | Confident | 78.1 | Confident | 17 Ų | 17 | 36.5 Ų | 36.5 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -83.7 | 125.6 | 166.9 | -64.4 | 162.6 | 0 | 0 | 0 | 108.2 | F2107 A2161 A2162 A2171 Q2172 V2175 V2230 | F2107-L2164 HydrophobicContact CB-CD2 3.88Å; F2107-L2164 HydrophobicContact CB-CG 4.31Å; F2107-L2164 HydrophobicContact CD2-CD1 3.84Å; F2107-L2164 HydrophobicContact CD2-CD2 4.02Å; F2107-L2164 HydrophobicContact CD2-CG 3.83Å; F2107-L2164 HydrophobicContact CE2-CD1 4.14Å; F2107-L2164 HydrophobicContact CG-CD2 4.09Å; F2107-L2164 HydrophobicContact CG-CG 4.37Å; A2161-L2164 WeakPolarHBondContact O-CB 3.27Å; A2161-L2164 PolarHBondContact O-N 3.47Å; A2162-L2164 PolarHBondContact O-N 3.24Å; L2164-A2171 HydrophobicContact CD1-CB 3.77Å; L2164-A2171 HydrophobicContact CD2-CB 4.43Å; L2164-Q2172 HydrophobicContact CB-CG 4.01Å; L2164-Q2172 PolarHBondContact O-NE2 3.43Å; L2164-V2175 HydrophobicContact CD1-CG2 4.42Å; L2164-V2230 HydrophobicContact CD1-CG1 4.35Å; L2164-V2230 HydrophobicContact CD2-CG1 3.85Å |
| 2165 | T | 68.8 | Low | 77.9 | Confident | 82 Ų | 82 | 36.3 Ų | 36.3 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | trans | -60 | 152.2 | -175.9 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | Q2167 N2168 | T2165-Q2167 PolarHBondContact O-N 2.72Å; T2165-N2168 PolarHBondContact O-N 2.69Å | ||
| 2166 | S | 67.4 | Low | 77.9 | Confident | 54 Ų | 54 | 32 Ų | 32 | 38% | 0.378 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -63.6 | -8.7 | 178.5 | 50.8 | 0 | 0 | 0 | 0 | 114.6 | N2099 N2168 | N2099-S2166 PolarHBondContact OD1-OG 2.84Å; S2166-N2168 VanDerWaalsContact C-N 3.33Å |
| 2167 | Q | 66.7 | Low | 77.8 | Confident | 187 Ų | 187 | 32.5 Ų | 32.5 | 87% | 0.874 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -72.6 | -23.8 | 167.2 | -64.3 | -174.7 | -3.5 | 0 | 0 | 112.9 | T2165 | T2165-Q2167 PolarHBondContact O-N 2.72Š|
| 2168 | N | 71.8 | Confident | 77.6 | Confident | 56 Ų | 56 | 32.9 Ų | 32.9 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -111.5 | 43.3 | 179.3 | -159.8 | -3.8 | 0 | 0 | 0 | 111.1 | T2165 S2166 E2170 A2171 Q2172 R2236 | T2165-N2168 PolarHBondContact O-N 2.69Å; S2166-N2168 VanDerWaalsContact C-N 3.33Å; N2168-E2170 PolarHBondContact O-N 3.15Å; N2168-E2170 VanDerWaalsContact O-N 3.09Å; N2168-A2171 HydrophobicContact CB-CB 4.34Å; N2168-A2171 VanDerWaalsContact CG-CB 3.48Å; N2168-A2171 WeakPolarHBondContact O-CB 3.45Å; N2168-A2171 PolarHBondContact O-N 2.93Å; N2168-A2171 VanDerWaalsContact OD1-CB 3.28Å; N2168-A2171 WeakPolarHBondContact OD1-CB 3.26Å; N2168-A2171 PolarHBondContact OD1-N 3.44Å; N2168-Q2172 PolarHBondContact O-N 3.46Å; N2168-R2236 PolarHBondContact OD1-NH2 3.38Å |
| 2169 | A | 71.7 | Confident | 77.9 | Confident | 23 Ų | 23 | 31.3 Ų | 31.3 | 19% | 0.19 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.1 | -28.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q2172 V2173 | A2169-Q2172 WeakPolarHBondContact O-CB 3.44Å; A2169-Q2172 PolarHBondContact O-N 3.31Å; A2169-V2173 WeakPolarHBondContact O-CG2 2.89Å; A2169-V2173 PolarHBondContact O-N 2.93Å |
| 2170 | E | 70.4 | Confident | 78.2 | Confident | 89 Ų | 89 | 31.8 Ų | 31.8 | 42% | 0.416 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -70.3 | -30.1 | 174.7 | -58.5 | -161.9 | 166.3 | 0 | 0 | 113.1 | N2168 L2174 | N2168-E2170 PolarHBondContact O-N 3.15Å; N2168-E2170 VanDerWaalsContact O-N 3.09Å; E2170-L2174 VanDerWaalsContact O-CB 3.25Å; E2170-L2174 WeakPolarHBondContact O-CB 3.08Å; E2170-L2174 PolarHBondContact O-N 3.27Å |
| 2171 | A | 73.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67 | -43.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L2164 N2168 V2173 L2174 V2175 R2236 | L2164-A2171 HydrophobicContact CD1-CB 3.77Å; L2164-A2171 HydrophobicContact CD2-CB 4.43Å; N2168-A2171 HydrophobicContact CB-CB 4.34Å; N2168-A2171 VanDerWaalsContact CG-CB 3.48Å; N2168-A2171 WeakPolarHBondContact O-CB 3.45Å; N2168-A2171 PolarHBondContact O-N 2.93Å; N2168-A2171 VanDerWaalsContact OD1-CB 3.28Å; N2168-A2171 WeakPolarHBondContact OD1-CB 3.26Å; N2168-A2171 PolarHBondContact OD1-N 3.44Å; A2171-V2173 PolarHBondContact O-N 3.21Å; A2171-L2174 PolarHBondContact O-N 3.26Å; A2171-V2175 WeakPolarHBondContact O-CG2 3.35Å; A2171-V2175 PolarHBondContact O-N 3.5Å; A2171-R2236 VanDerWaalsContact CB-NH2 3.33Å |
| 2172 | Q | 82.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.8 | -53.8 | 177.1 | -56 | -175.6 | -31.6 | 0 | 0 | 110 | A2093 L2098 A2161 L2164 N2168 A2169 L2174 V2175 I2176 | A2093-Q2172 HydrophobicContact CB-CB 3.89Å; L2098-Q2172 HydrophobicContact CD2-CB 4.42Å; L2098-Q2172 PolarHBondContact O-NE2 3.47Å; A2161-Q2172 WeakPolarHBondContact O-CG 3.26Å; A2161-Q2172 PolarHBondContact O-NE2 2.94Å; L2164-Q2172 HydrophobicContact CB-CG 4.01Å; L2164-Q2172 PolarHBondContact O-NE2 3.43Å; N2168-Q2172 PolarHBondContact O-N 3.46Å; A2169-Q2172 WeakPolarHBondContact O-CB 3.44Å; A2169-Q2172 PolarHBondContact O-N 3.31Å; Q2172-L2174 PolarHBondContact O-N 3.02Å; Q2172-V2175 PolarHBondContact O-N 3.46Å; Q2172-I2176 HydrophobicContact CB-CD1 4.47Å; Q2172-I2176 VanDerWaalsContact O-CD1 3.31Å; Q2172-I2176 WeakPolarHBondContact O-CD1 3.12Å; Q2172-I2176 WeakPolarHBondContact O-CG1 3.36Å; Q2172-I2176 PolarHBondContact O-N 2.93Å |
| 2173 | V | 81.4 | Confident | 79.2 | Confident | 23 Ų | 23 | 33.1 Ų | 33.1 | 14% | 0.139 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -39.1 | 179.6 | 171.9 | 0 | 0 | 0 | 0 | 112.3 | I2090 A2093 A2169 A2171 N2177 | I2090-V2173 HydrophobicContact CG2-CG1 4.48Å; A2093-V2173 HydrophobicContact CB-CG2 3.86Å; A2169-V2173 WeakPolarHBondContact O-CG2 2.89Å; A2169-V2173 PolarHBondContact O-N 2.93Å; A2171-V2173 PolarHBondContact O-N 3.21Å; V2173-N2177 VanDerWaalsContact CG1-ND2 3.33Å; V2173-N2177 WeakPolarHBondContact CG1-ND2 3.27Å; V2173-N2177 VanDerWaalsContact O-CB 3.3Å; V2173-N2177 WeakPolarHBondContact O-CB 3.33Å; V2173-N2177 PolarHBondContact O-N 3.49Å; V2173-N2177 PolarHBondContact O-ND2 2.87Å; V2173-N2177 VanDerWaalsContact O-ND2 3.09Å |
| 2174 | L | 80 | Confident | 79.6 | Confident | 17 Ų | 17 | 34.6 Ų | 34.6 | 9% | 0.089 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 177.6 | -177.4 | 106.3 | 0 | 0 | 0 | 112.3 | E2170 A2171 Q2172 A2178 T2226 V2230 A2240 I2297 | E2170-L2174 VanDerWaalsContact O-CB 3.25Å; E2170-L2174 WeakPolarHBondContact O-CB 3.08Å; E2170-L2174 PolarHBondContact O-N 3.27Å; A2171-L2174 PolarHBondContact O-N 3.26Å; Q2172-L2174 PolarHBondContact O-N 3.02Å; L2174-A2178 PolarHBondContact O-N 3.43Å; L2174-T2226 HydrophobicContact CD2-CG2 3.65Å; L2174-T2226 HydrophobicContact CG-CG2 4Å; L2174-V2230 HydrophobicContact CD2-CG2 4.38Å; L2174-A2240 HydrophobicContact CD1-CB 4.07Å; L2174-I2297 HydrophobicContact CD1-CG2 4.45Å |
| 2175 | V | 82.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.8 | -40.7 | -179.4 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | F2107 V2157 L2164 A2171 Q2172 A2178 V2179 T2226 V2230 | F2107-V2175 HydrophobicContact CE2-CG1 4.41Å; F2107-V2175 HydrophobicContact CE2-CG2 4.17Å; F2107-V2175 HydrophobicContact CZ-CG2 4.36Å; V2157-V2175 HydrophobicContact CG1-CG1 3.84Å; L2164-V2175 HydrophobicContact CD1-CG2 4.42Å; A2171-V2175 WeakPolarHBondContact O-CG2 3.35Å; A2171-V2175 PolarHBondContact O-N 3.5Å; Q2172-V2175 PolarHBondContact O-N 3.46Å; V2175-A2178 PolarHBondContact O-N 3.27Å; V2175-V2179 PolarHBondContact O-N 2.74Å; V2175-T2226 HydrophobicContact CG2-CG2 4.45Å; V2175-V2230 HydrophobicContact CG2-CG2 3.54Å |
| 2176 | I | 85.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.2 | -38.5 | 179.8 | -55.3 | 157.3 | 0 | 0 | 0 | 111 | L2086 T2089 I2090 A2093 L2098 A2161 Q2172 A2178 V2179 K2180 | L2086-I2176 HydrophobicContact CB-CG2 4.39Å; L2086-I2176 HydrophobicContact CD2-CG2 3.94Å; T2089-I2176 HydrophobicContact CG2-CD1 3.82Å; I2090-I2176 HydrophobicContact CD1-CG2 4.05Å; I2090-I2176 HydrophobicContact CG1-CB 3.93Å; I2090-I2176 HydrophobicContact CG1-CG2 3.49Å; I2090-I2176 VanDerWaalsContact CG1-CG2 3.49Å; A2093-I2176 HydrophobicContact CB-CD1 4.12Å; L2098-I2176 HydrophobicContact CD2-CD1 4.09Å; A2161-I2176 HydrophobicContact CB-CD1 3.8Å; A2161-I2176 HydrophobicContact CB-CG1 3.63Å; Q2172-I2176 HydrophobicContact CB-CD1 4.47Å; Q2172-I2176 VanDerWaalsContact O-CD1 3.31Å; Q2172-I2176 WeakPolarHBondContact O-CD1 3.12Å; Q2172-I2176 WeakPolarHBondContact O-CG1 3.36Å; Q2172-I2176 PolarHBondContact O-N 2.93Å; I2176-A2178 VanDerWaalsContact C-N 3.32Å; I2176-A2178 PolarHBondContact O-N 2.99Å; I2176-V2179 WeakPolarHBondContact O-CG1 3.45Å; I2176-V2179 PolarHBondContact O-N 2.87Å; I2176-K2180 PolarHBondContact O-N 3.32Å |
| 2177 | N | 83.3 | Confident | 82.1 | Confident | 38 Ų | 38 | 28.2 Ų | 28.2 | 20% | 0.203 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.9 | -39.7 | 172.3 | -83 | -41.8 | 0 | 0 | 0 | 112.2 | I2090 V2173 V2179 K2180 D2181 | I2090-N2177 WeakPolarHBondContact CD1-OD1 3.35Å; V2173-N2177 VanDerWaalsContact CG1-ND2 3.33Å; V2173-N2177 WeakPolarHBondContact CG1-ND2 3.27Å; V2173-N2177 VanDerWaalsContact O-CB 3.3Å; V2173-N2177 WeakPolarHBondContact O-CB 3.33Å; V2173-N2177 PolarHBondContact O-N 3.49Å; V2173-N2177 PolarHBondContact O-ND2 2.87Å; V2173-N2177 VanDerWaalsContact O-ND2 3.09Å; N2177-V2179 VanDerWaalsContact C-N 3.33Å; N2177-V2179 PolarHBondContact O-N 2.82Å; N2177-K2180 WeakPolarHBondContact O-CB 3.46Å; N2177-K2180 PolarHBondContact O-N 3.11Å; N2177-K2180 VanDerWaalsContact O-N 3.17Å; N2177-D2181 PolarHBondContact O-N 3.01Å |
| 2178 | A | 84.1 | Confident | 83.1 | Confident | 9 Ų | 9 | 22.4 Ų | 22.4 | 7% | 0.074 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.6 | -33.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L2174 V2175 I2176 V2182 L2223 T2226 | L2174-A2178 PolarHBondContact O-N 3.43Å; V2175-A2178 PolarHBondContact O-N 3.27Å; I2176-A2178 VanDerWaalsContact C-N 3.32Å; I2176-A2178 PolarHBondContact O-N 2.99Å; A2178-V2182 WeakPolarHBondContact O-CG2 3.41Å; A2178-V2182 PolarHBondContact O-N 3.44Å; A2178-L2223 HydrophobicContact CB-CB 4.45Å; A2178-L2223 HydrophobicContact CB-CD1 3.66Å; A2178-T2226 HydrophobicContact CB-CG2 3.95Å |
| 2179 | V | 89.7 | Confident | 84 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -78.8 | -31.5 | 171.7 | 69 | 0 | 0 | 0 | 0 | 112.4 | L2086 I2150 L2153 V2157 V2175 I2176 N2177 D2181 V2182 A2183 | L2086-V2179 HydrophobicContact CD1-CG1 4.05Å; L2086-V2179 HydrophobicContact CD2-CG1 3.71Å; I2150-V2179 HydrophobicContact CD1-CG2 4.38Å; L2153-V2179 HydrophobicContact CD2-CG2 4.12Å; L2153-V2179 HydrophobicContact CG-CG2 3.91Å; V2157-V2179 HydrophobicContact CB-CB 4.29Å; V2157-V2179 HydrophobicContact CB-CG1 4.01Å; V2157-V2179 HydrophobicContact CG1-CB 3.99Å; V2157-V2179 HydrophobicContact CG1-CG1 3.44Å; V2157-V2179 VanDerWaalsContact CG1-CG1 3.44Å; V2157-V2179 HydrophobicContact CG2-CB 4.2Å; V2157-V2179 HydrophobicContact CG2-CG1 4.46Å; V2157-V2179 HydrophobicContact CG2-CG2 4.33Å; V2175-V2179 PolarHBondContact O-N 2.74Å; I2176-V2179 WeakPolarHBondContact O-CG1 3.45Å; I2176-V2179 PolarHBondContact O-N 2.87Å; N2177-V2179 VanDerWaalsContact C-N 3.33Å; N2177-V2179 PolarHBondContact O-N 2.82Å; V2179-D2181 VanDerWaalsContact C-N 3.3Å; V2179-D2181 PolarHBondContact O-N 3.1Å; V2179-V2182 PolarHBondContact O-N 2.93Å; V2179-A2183 PolarHBondContact O-N 2.91Å |
| 2180 | K | 87.1 | Confident | 84.8 | Confident | 56 Ų | 56 | 18.7 Ų | 18.7 | 24% | 0.243 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.2 | -41.9 | 170.6 | 179.2 | 179.5 | 171.6 | 173 | 0 | 111.3 | L2086 D2087 I2090 I2176 N2177 V2182 A2183 A2184 | L2086-K2180 HydrophobicContact CD1-CB 4.31Å; D2087-K2180 VanDerWaalsContact CG-NZ 3.27Å; D2087-K2180 WeakPolarHBondContact OD1-CE 3.42Å; D2087-K2180 IonicContact OD1-NZ 2.63Å; D2087-K2180 PolarHBondContact OD1-NZ 2.93Å; D2087-K2180 IonicContact OD2-NZ 2.77Å; D2087-K2180 PolarHBondContact OD2-NZ 2.79Å; D2087-K2180 VanDerWaalsContact OD2-NZ 3.09Å; I2090-K2180 HydrophobicContact CD1-CD 3.9Å; I2176-K2180 PolarHBondContact O-N 3.32Å; N2177-K2180 WeakPolarHBondContact O-CB 3.46Å; N2177-K2180 PolarHBondContact O-N 3.11Å; N2177-K2180 VanDerWaalsContact O-N 3.17Å; K2180-V2182 VanDerWaalsContact C-N 3.3Å; K2180-V2182 PolarHBondContact O-N 2.95Å; K2180-A2183 PolarHBondContact O-N 3.36Å; K2180-A2184 WeakPolarHBondContact O-CB 3.47Å; K2180-A2184 PolarHBondContact O-N 3.37Å |
| 2181 | D | 85 | Confident | 85.5 | Confident | 36 Ų | 36 | 19.7 Ų | 19.7 | 19% | 0.193 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.2 | -32.5 | 177 | -66.9 | -22.8 | 0 | 0 | 0 | 112.9 | N2177 V2179 A2185 N2219 R2304 | N2177-D2181 PolarHBondContact O-N 3.01Å; V2179-D2181 VanDerWaalsContact C-N 3.3Å; V2179-D2181 PolarHBondContact O-N 3.1Å; D2181-A2185 WeakPolarHBondContact O-CB 3.47Å; D2181-A2185 PolarHBondContact O-N 3.12Å; D2181-A2185 VanDerWaalsContact O-N 3.08Å; D2181-N2219 PolarHBondContact O-ND2 3.05Å; D2181-R2304 IonicContact OD1-CZ 2.74Å; D2181-R2304 IonicContact OD1-NH1 3.96Å; D2181-R2304 IonicContact OD1-NH2 3.58Å; D2181-R2304 PolarHBondContact OD1-NH2 3.23Å; D2181-R2304 IonicContact OD2-CZ 3.77Å; D2181-R2304 IonicContact OD2-NH1 3.66Å; D2181-R2304 PolarHBondContact OD2-NH1 3.26Å; D2181-R2304 IonicContact OD2-NH2 2.69Å; D2181-R2304 PolarHBondContact OD2-NH2 3.3Å; D2181-R2304 VanDerWaalsContact OD2-NH2 3.15Å |
| 2182 | V | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -73.2 | -42.3 | 173 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L2121 I2150 L2153 A2178 V2179 K2180 A2185 L2186 M2216 N2219 V2220 L2223 | L2121-V2182 HydrophobicContact CD2-CG1 3.47Å; L2121-V2182 VanDerWaalsContact CD2-CG1 3.47Å; I2150-V2182 HydrophobicContact CD1-CG1 4.11Å; L2153-V2182 HydrophobicContact CD2-CG1 4.13Å; A2178-V2182 WeakPolarHBondContact O-CG2 3.41Å; A2178-V2182 PolarHBondContact O-N 3.44Å; V2179-V2182 PolarHBondContact O-N 2.93Å; K2180-V2182 VanDerWaalsContact C-N 3.3Å; K2180-V2182 PolarHBondContact O-N 2.95Å; V2182-A2185 PolarHBondContact O-N 3.43Å; V2182-L2186 WeakPolarHBondContact O-CB 3.5Å; V2182-L2186 PolarHBondContact O-N 3.37Å; V2182-M2216 HydrophobicContact CG1-CE 3.67Å; V2182-M2216 HydrophobicContact CG1-SD 4.33Å; V2182-N2219 HydrophobicContact CG2-CB 4.1Å; V2182-V2220 HydrophobicContact CG1-CG2 3.87Å; V2182-V2220 HydrophobicContact CG2-CG2 4.04Å; V2182-L2223 HydrophobicContact CG2-CB 4.15Å; V2182-L2223 HydrophobicContact CG2-CD2 4.18Å |
| 2183 | A | 88.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V2079 I2083 L2086 I2150 V2179 K2180 L2186 S2187 | V2079-A2183 HydrophobicContact CG1-CB 4.34Å; V2079-A2183 WeakPolarHBondContact CG1-O 3.4Å; I2083-A2183 HydrophobicContact CD1-CB 4.42Å; I2083-A2183 HydrophobicContact CG1-CB 3.86Å; L2086-A2183 HydrophobicContact CD1-CB 4.33Å; I2150-A2183 HydrophobicContact CD1-CB 4.18Å; I2150-A2183 HydrophobicContact CG1-CB 4.19Å; V2179-A2183 PolarHBondContact O-N 2.91Å; K2180-A2183 PolarHBondContact O-N 3.36Å; A2183-L2186 PolarHBondContact O-N 3.15Å; A2183-S2187 PolarHBondContact O-N 2.93Å |
| 2184 | A | 85.2 | Confident | 86.3 | Confident | 39 Ų | 39 | 21.8 Ų | 21.8 | 32% | 0.322 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I2083 K2180 L2186 S2187 S2188 | I2083-A2184 HydrophobicContact CD1-CB 4.49Å; K2180-A2184 WeakPolarHBondContact O-CB 3.47Å; K2180-A2184 PolarHBondContact O-N 3.37Å; A2184-L2186 VanDerWaalsContact C-N 3.32Å; A2184-L2186 PolarHBondContact O-N 3.25Å; A2184-S2187 WeakPolarHBondContact O-CB 3.16Å; A2184-S2187 PolarHBondContact O-N 2.81Å; A2184-S2188 PolarHBondContact O-N 2.96Å; A2184-S2188 PolarHBondContact O-OG 3.19Å |
| 2185 | A | 87.2 | Confident | 86.2 | Confident | 7 Ų | 7 | 24.2 Ų | 24.2 | 6% | 0.058 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D2181 V2182 S2188 L2189 V2215 M2216 N2219 | D2181-A2185 WeakPolarHBondContact O-CB 3.47Å; D2181-A2185 PolarHBondContact O-N 3.12Å; D2181-A2185 VanDerWaalsContact O-N 3.08Å; V2182-A2185 PolarHBondContact O-N 3.43Å; A2185-S2188 PolarHBondContact O-N 2.97Å; A2185-L2189 VanDerWaalsContact O-CB 3.32Å; A2185-L2189 WeakPolarHBondContact O-CB 3.39Å; A2185-L2189 PolarHBondContact O-N 3.02Å; A2185-V2215 HydrophobicContact CB-CG1 4.28Å; A2185-M2216 HydrophobicContact CB-CB 4.39Å; A2185-M2216 HydrophobicContact CB-SD 3.71Å; A2185-N2219 HydrophobicContact CB-CB 4.37Å |
| 2186 | L | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.2 | -40.1 | 173.5 | -179.3 | 60.9 | 0 | 0 | 0 | 112.1 | V2079 L2121 L2128 A2146 I2150 V2182 A2183 A2184 L2189 I2190 M2216 | V2079-L2186 HydrophobicContact CG2-CD2 4.08Å; V2079-L2186 HydrophobicContact CG2-CG 4.43Å; L2121-L2186 HydrophobicContact CD1-CD2 4.21Å; L2128-L2186 HydrophobicContact CD1-CD1 4.1Å; A2146-L2186 HydrophobicContact CB-CD1 4.12Å; I2150-L2186 HydrophobicContact CB-CD2 3.65Å; I2150-L2186 HydrophobicContact CG1-CD2 4.04Å; I2150-L2186 HydrophobicContact CG2-CD2 3.59Å; V2182-L2186 WeakPolarHBondContact O-CB 3.5Å; V2182-L2186 PolarHBondContact O-N 3.37Å; A2183-L2186 PolarHBondContact O-N 3.15Å; A2184-L2186 VanDerWaalsContact C-N 3.32Å; A2184-L2186 PolarHBondContact O-N 3.25Å; L2186-L2189 HydrophobicContact CD1-CD2 4.24Å; L2186-L2189 WeakPolarHBondContact O-CB 3.27Å; L2186-L2189 PolarHBondContact O-N 2.96Å; L2186-I2190 HydrophobicContact CD1-CD1 3.95Å; L2186-I2190 HydrophobicContact CD1-CG1 4.15Å; L2186-I2190 HydrophobicContact CD2-CD1 4.46Å; L2186-I2190 HydrophobicContact CG-CD1 3.77Å; L2186-I2190 HydrophobicContact CG-CG1 4.42Å; L2186-I2190 WeakPolarHBondContact O-CB 3.47Å; L2186-I2190 WeakPolarHBondContact O-CD1 3.37Å; L2186-I2190 VanDerWaalsContact O-CG1 3.26Å; L2186-I2190 WeakPolarHBondContact O-CG1 3.31Å; L2186-I2190 PolarHBondContact O-N 3.29Å; L2186-M2216 HydrophobicContact CB-CE 3.8Å; L2186-M2216 HydrophobicContact CB-SD 4.07Å; L2186-M2216 HydrophobicContact CD1-CE 4.27Å; L2186-M2216 HydrophobicContact CG-CE 4.47Å |
| 2187 | S | 88.3 | Confident | 85.7 | Confident | 12 Ų | 12 | 25 Ų | 25 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.4 | -48.8 | 174 | -171.1 | 0 | 0 | 0 | 0 | 111 | A2183 A2184 L2189 I2190 Q2191 | A2183-S2187 PolarHBondContact O-N 2.93Å; A2184-S2187 WeakPolarHBondContact O-CB 3.16Å; A2184-S2187 PolarHBondContact O-N 2.81Å; S2187-L2189 VanDerWaalsContact C-N 3.32Å; S2187-L2189 PolarHBondContact O-N 3.41Å; S2187-I2190 PolarHBondContact O-N 3.23Å; S2187-Q2191 WeakPolarHBondContact O-CG 3.44Å; S2187-Q2191 PolarHBondContact O-N 2.77Å |
| 2188 | S | 86.2 | Confident | 85.1 | Confident | 65 Ų | 65 | 26.2 Ų | 26.2 | 46% | 0.455 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.3 | -36.6 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | A2184 A2185 Q2191 A2192 | A2184-S2188 PolarHBondContact O-N 2.96Å; A2184-S2188 PolarHBondContact O-OG 3.19Å; A2185-S2188 PolarHBondContact O-N 2.97Å; S2188-Q2191 PolarHBondContact O-N 3.44Å; S2188-A2192 WeakPolarHBondContact O-CB 3.24Å; S2188-A2192 PolarHBondContact O-N 2.99Å |
| 2189 | L | 90.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -48.9 | 173.2 | 177.2 | 64 | 0 | 0 | 0 | 111.1 | T2125 L2128 A2185 L2186 S2187 Q2191 A2192 T2193 L2209 A2212 A2213 M2216 | T2125-L2189 HydrophobicContact CG2-CD2 3.81Å; L2128-L2189 HydrophobicContact CD1-CD2 3.88Å; L2128-L2189 HydrophobicContact CD1-CG 4.33Å; A2185-L2189 VanDerWaalsContact O-CB 3.32Å; A2185-L2189 WeakPolarHBondContact O-CB 3.39Å; A2185-L2189 PolarHBondContact O-N 3.02Å; L2186-L2189 HydrophobicContact CD1-CD2 4.24Å; L2186-L2189 WeakPolarHBondContact O-CB 3.27Å; L2186-L2189 PolarHBondContact O-N 2.96Å; S2187-L2189 VanDerWaalsContact C-N 3.32Å; S2187-L2189 PolarHBondContact O-N 3.41Å; L2189-Q2191 VanDerWaalsContact C-N 3.31Å; L2189-Q2191 PolarHBondContact O-N 2.99Å; L2189-A2192 PolarHBondContact O-N 2.74Å; L2189-T2193 WeakPolarHBondContact O-CB 3.35Å; L2189-T2193 PolarHBondContact O-N 2.89Å; L2189-T2193 PolarHBondContact O-OG1 2.93Å; L2189-L2209 HydrophobicContact CD1-CD1 3.63Å; L2189-A2212 HydrophobicContact CD1-CB 4.22Å; L2189-A2213 HydrophobicContact CD1-CB 3.91Å; L2189-M2216 HydrophobicContact CD2-CB 4.42Å; L2189-M2216 HydrophobicContact CD2-CG 4.23Å |
| 2190 | I | 88.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -38 | 178.7 | -68.1 | 161.7 | 0 | 0 | 0 | 111.1 | C2072 A2075 A2076 V2079 L2128 L2186 S2187 T2193 K2194 | C2072-I2190 HydrophobicContact CB-CG2 3.77Å; C2072-I2190 WeakPolarHBondContact O-CG2 3.44Å; A2075-I2190 HydrophobicContact CB-CD1 3.94Å; A2075-I2190 HydrophobicContact CB-CG2 4.24Å; A2076-I2190 HydrophobicContact CB-CG2 4.14Å; V2079-I2190 HydrophobicContact CG2-CD1 4.18Å; L2128-I2190 HydrophobicContact CD1-CG1 4.36Å; L2186-I2190 HydrophobicContact CD1-CD1 3.95Å; L2186-I2190 HydrophobicContact CD1-CG1 4.15Å; L2186-I2190 HydrophobicContact CD2-CD1 4.46Å; L2186-I2190 HydrophobicContact CG-CD1 3.77Å; L2186-I2190 HydrophobicContact CG-CG1 4.42Å; L2186-I2190 WeakPolarHBondContact O-CB 3.47Å; L2186-I2190 WeakPolarHBondContact O-CD1 3.37Å; L2186-I2190 VanDerWaalsContact O-CG1 3.26Å; L2186-I2190 WeakPolarHBondContact O-CG1 3.31Å; L2186-I2190 PolarHBondContact O-N 3.29Å; S2187-I2190 PolarHBondContact O-N 3.23Å; I2190-T2193 PolarHBondContact O-N 3.19Å; I2190-K2194 PolarHBondContact O-N 3.49Å |
| 2191 | Q | 84.7 | Confident | 83.2 | Confident | 110 Ų | 110 | 35.2 Ų | 35.2 | 51% | 0.514 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65 | -43.9 | 173.2 | -72.7 | 178 | -0.6 | 0 | 0 | 112.1 | S2187 S2188 L2189 T2193 K2194 S2195 | S2187-Q2191 WeakPolarHBondContact O-CG 3.44Å; S2187-Q2191 PolarHBondContact O-N 2.77Å; S2188-Q2191 PolarHBondContact O-N 3.44Å; L2189-Q2191 VanDerWaalsContact C-N 3.31Å; L2189-Q2191 PolarHBondContact O-N 2.99Å; Q2191-T2193 VanDerWaalsContact C-N 3.31Å; Q2191-T2193 PolarHBondContact O-N 2.96Å; Q2191-K2194 WeakPolarHBondContact O-CB 3.5Å; Q2191-K2194 PolarHBondContact O-N 2.81Å; Q2191-S2195 PolarHBondContact O-N 3.13Å; Q2191-S2195 VanDerWaalsContact O-N 3.12Å; Q2191-S2195 PolarHBondContact O-OG 2.86Å |
| 2192 | A | 85.1 | Confident | 82.8 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.6 | -37.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S2188 L2189 S2195 A2196 L2209 A2212 | S2188-A2192 WeakPolarHBondContact O-CB 3.24Å; S2188-A2192 PolarHBondContact O-N 2.99Å; L2189-A2192 PolarHBondContact O-N 2.74Å; A2192-S2195 PolarHBondContact O-N 3.47Å; A2192-A2196 WeakPolarHBondContact O-CB 3.28Å; A2192-A2196 PolarHBondContact O-N 3.38Å; A2192-L2209 HydrophobicContact CB-CB 4.38Å; A2192-L2209 HydrophobicContact CB-CD1 4.2Å; A2192-A2212 HydrophobicContact CB-CB 4.01Å |
| 2193 | T | 87.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 174.6 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | L2128 A2132 L2139 L2189 I2190 Q2191 A2196 S2197 L2209 | L2128-T2193 HydrophobicContact CD2-CG2 4.24Å; A2132-T2193 HydrophobicContact CB-CG2 4.1Å; L2139-T2193 HydrophobicContact CD1-CG2 3.36Å; L2189-T2193 WeakPolarHBondContact O-CB 3.35Å; L2189-T2193 PolarHBondContact O-N 2.89Å; L2189-T2193 PolarHBondContact O-OG1 2.93Å; I2190-T2193 PolarHBondContact O-N 3.19Å; Q2191-T2193 VanDerWaalsContact C-N 3.31Å; Q2191-T2193 PolarHBondContact O-N 2.96Å; T2193-A2196 PolarHBondContact O-N 2.98Å; T2193-S2197 PolarHBondContact O-N 3.27Å; T2193-S2197 VanDerWaalsContact O-N 3.08Å; T2193-L2209 VanDerWaalsContact OG1-CD1 3.29Å; T2193-L2209 WeakPolarHBondContact OG1-CD1 3.46Å |
| 2194 | K | 82.5 | Confident | 81.5 | Confident | 51 Ų | 51 | 47.3 Ų | 47.3 | 22% | 0.222 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.9 | -52 | 171.1 | 177.6 | -173.9 | 177.8 | -171.8 | 0 | 110.4 | T1949 T2069 I2073 I2190 Q2191 A2196 S2197 | T1949-K2194 PolarHBondContact OG1-NZ 2.98Å; T2069-K2194 HydrophobicContact CG2-CD 4.41Å; T2069-K2194 HydrophobicContact CG2-CG 3.88Å; I2073-K2194 HydrophobicContact CG1-CD 4.33Å; I2190-K2194 PolarHBondContact O-N 3.49Å; Q2191-K2194 WeakPolarHBondContact O-CB 3.5Å; Q2191-K2194 PolarHBondContact O-N 2.81Å; K2194-A2196 VanDerWaalsContact C-N 3.3Å; K2194-A2196 PolarHBondContact O-N 2.82Å; K2194-S2197 WeakPolarHBondContact O-CB 3.49Å; K2194-S2197 PolarHBondContact O-N 3.41Å |
| 2195 | S | 78.4 | Confident | 81.1 | Confident | 68 Ų | 68 | 46.2 Ų | 46.2 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70.1 | -22.8 | -175.8 | -55.2 | 0 | 0 | 0 | 0 | 114.4 | Q2191 A2192 K2199 | Q2191-S2195 PolarHBondContact O-N 3.13Å; Q2191-S2195 VanDerWaalsContact O-N 3.12Å; Q2191-S2195 PolarHBondContact O-OG 2.86Å; A2192-S2195 PolarHBondContact O-N 3.47Å; S2195-K2199 WeakPolarHBondContact O-CD 3.23Å; S2195-K2199 WeakPolarHBondContact O-CE 3.48Å; S2195-K2199 PolarHBondContact O-NZ 2.94Å |
| 2196 | A | 81.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -94.6 | -4.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | A2132 A2192 T2193 K2194 G2198 K2199 A2205 L2209 | A2132-A2196 HydrophobicContact CB-CB 4.42Å; A2192-A2196 WeakPolarHBondContact O-CB 3.28Å; A2192-A2196 PolarHBondContact O-N 3.38Å; T2193-A2196 PolarHBondContact O-N 2.98Å; K2194-A2196 VanDerWaalsContact C-N 3.3Å; K2194-A2196 PolarHBondContact O-N 2.82Å; A2196-G2198 PolarHBondContact O-N 3.46Å; A2196-K2199 PolarHBondContact O-N 2.92Å; A2196-K2199 VanDerWaalsContact O-N 3.11Å; A2196-A2205 HydrophobicContact CB-CB 4.14Å; A2196-L2209 HydrophobicContact CB-CB 4.33Å; A2196-L2209 HydrophobicContact CB-CD2 3.97Å |
| 2197 | S | 77.8 | Confident | 80.5 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 121.1 | -173.4 | -166.4 | 0 | 0 | 0 | 0 | 112 | Q2136 L2139 T2193 K2194 K2199 | Q2136-S2197 PolarHBondContact NE2-OG 3.08Å; L2139-S2197 WeakPolarHBondContact CD2-OG 3.44Å; T2193-S2197 PolarHBondContact O-N 3.27Å; T2193-S2197 VanDerWaalsContact O-N 3.08Å; K2194-S2197 WeakPolarHBondContact O-CB 3.49Å; K2194-S2197 PolarHBondContact O-N 3.41Å; S2197-K2199 PolarHBondContact O-N 3.48Å |
| 2198 | G | 68.9 | Low | 80.1 | Confident | 65 Ų | 65 | 55 Ų | 55 | 67% | 0.67 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 5.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | A2132 A2196 | A2132-G2198 PolarHBondContact O-N 2.66Å; A2132-G2198 VanDerWaalsContact O-N 3.12Å; A2196-G2198 PolarHBondContact O-N 3.46Å |
| 2199 | K | 75 | Confident | 80.1 | Confident | 53 Ų | 53 | 52 Ų | 52 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | trans | -90.1 | 157.7 | 176.2 | -53.7 | -164.8 | -175.9 | -172.1 | 0 | 111 | E1943 S2195 A2196 S2197 D2203 | E1943-K2199 IonicContact OE1-NZ 2.71Å; E1943-K2199 PolarHBondContact OE1-NZ 3.29Å; E1943-K2199 WeakPolarHBondContact OE2-CE 3.25Å; E1943-K2199 IonicContact OE2-NZ 2.72Å; E1943-K2199 PolarHBondContact OE2-NZ 2.98Å; S2195-K2199 WeakPolarHBondContact O-CD 3.23Å; S2195-K2199 WeakPolarHBondContact O-CE 3.48Å; S2195-K2199 PolarHBondContact O-NZ 2.94Å; A2196-K2199 PolarHBondContact O-N 2.92Å; A2196-K2199 VanDerWaalsContact O-N 3.11Å; S2197-K2199 PolarHBondContact O-N 3.48Å; K2199-D2203 HydrophobicContact CB-CB 3.92Å | ||
| 2200 | S | 73.5 | Confident | 79.9 | Confident | 74 Ų | 74 | 56.6 Ų | 56.6 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | trans | -62.7 | 152 | -179.3 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | N2202 D2203 | S2200-N2202 PolarHBondContact O-N 3Å; S2200-N2202 PolarHBondContact OG-N 2.63Å; S2200-D2203 WeakPolarHBondContact O-CB 3.27Å; S2200-D2203 PolarHBondContact O-N 3.32Å | ||
| 2201 | F | 73.5 | Confident | 79.6 | Confident | 127 Ų | 127 | 61 Ų | 61 | 56% | 0.557 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.9 | 170.3 | -90.3 | -72.1 | 0 | 0 | 0 | 114.1 | A2133 M2206 | A2133-F2201 HydrophobicContact CB-CD2 4.05Å; A2133-F2201 HydrophobicContact CB-CE1 3.98Å; A2133-F2201 HydrophobicContact CB-CE2 3.46Å; A2133-F2201 VanDerWaalsContact CB-CE2 3.46Å; A2133-F2201 HydrophobicContact CB-CZ 3.42Å; A2133-F2201 VanDerWaalsContact CB-CZ 3.42Å; F2201-M2206 HydrophobicContact CD1-CE 4.23Å; F2201-M2206 HydrophobicContact CD1-CG 4.3Å; F2201-M2206 HydrophobicContact CD1-SD 4.29Å |
| 2202 | N | 76.1 | Confident | 79.7 | Confident | 148 Ų | 148 | 56.6 Ų | 56.6 | 79% | 0.791 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -4.1 | 177.8 | -64.3 | -17.6 | 0 | 0 | 0 | 113.6 | S2200 | S2200-N2202 PolarHBondContact O-N 3Å; S2200-N2202 PolarHBondContact OG-N 2.63Å |
| 2203 | D | 75.7 | Confident | 79.8 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 26% | 0.262 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -69.3 | 139.9 | -177.9 | -168 | -76.3 | 0 | 0 | 0 | 111.6 | K2199 S2200 A2205 M2206 | K2199-D2203 HydrophobicContact CB-CB 3.92Å; S2200-D2203 WeakPolarHBondContact O-CB 3.27Å; S2200-D2203 PolarHBondContact O-N 3.32Å; D2203-A2205 PolarHBondContact O-N 2.97Å; D2203-A2205 WeakPolarHBondContact OD1-CB 3.47Å; D2203-A2205 PolarHBondContact OD1-N 2.69Å; D2203-M2206 VanDerWaalsContact O-CB 3.23Å; D2203-M2206 WeakPolarHBondContact O-CB 3.36Å; D2203-M2206 PolarHBondContact O-N 2.82Å |
| 2204 | P | 76 | Confident | 79.8 | Confident | 93 Ų | 93 | 62 Ų | 62 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -52.7 | -33.7 | 174.7 | -27.8 | 36.2 | 0 | 0 | 0 | 114.4 | M2206 N2207 N2208 | P2204-M2206 PolarHBondContact O-N 3.47Å; P2204-N2207 WeakPolarHBondContact O-CB 3.42Å; P2204-N2207 PolarHBondContact O-N 3.29Å; P2204-N2208 PolarHBondContact O-N 3.32Å |
| 2205 | A | 76.4 | Confident | 80 | Confident | 15 Ų | 15 | 61.5 Ų | 61.5 | 12% | 0.124 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -31.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A2196 D2203 N2207 N2208 L2209 | A2196-A2205 HydrophobicContact CB-CB 4.14Å; D2203-A2205 PolarHBondContact O-N 2.97Å; D2203-A2205 WeakPolarHBondContact OD1-CB 3.47Å; D2203-A2205 PolarHBondContact OD1-N 2.69Å; A2205-N2207 VanDerWaalsContact C-N 3.26Å; A2205-N2207 PolarHBondContact O-N 3.46Å; A2205-N2208 PolarHBondContact O-N 2.92Å; A2205-L2209 PolarHBondContact O-N 3.42Å |
| 2206 | M | 82.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.1 | -26.7 | 174.9 | -169.2 | 64.7 | 70 | 0 | 0 | 112 | A2132 A2133 F2201 D2203 P2204 L2209 K2210 | A2132-M2206 HydrophobicContact CB-CE 4.49Å; A2133-M2206 HydrophobicContact CB-CE 3.95Å; F2201-M2206 HydrophobicContact CD1-CE 4.23Å; F2201-M2206 HydrophobicContact CD1-CG 4.3Å; F2201-M2206 HydrophobicContact CD1-SD 4.29Å; D2203-M2206 VanDerWaalsContact O-CB 3.23Å; D2203-M2206 WeakPolarHBondContact O-CB 3.36Å; D2203-M2206 PolarHBondContact O-N 2.82Å; P2204-M2206 PolarHBondContact O-N 3.47Å; M2206-L2209 HydrophobicContact SD-CD2 3.92Å; M2206-K2210 WeakPolarHBondContact O-CD 3.33Å; M2206-K2210 VanDerWaalsContact O-CG 3.27Å; M2206-K2210 WeakPolarHBondContact O-CG 3.43Å; M2206-K2210 PolarHBondContact O-N 2.98Å; M2206-K2210 VanDerWaalsContact O-N 3.14Å |
| 2207 | N | 82.6 | Confident | 80.8 | Confident | 92 Ų | 92 | 61.1 Ų | 61.1 | 49% | 0.492 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -76 | -39.1 | 173 | -65.8 | -33.7 | 0 | 0 | 0 | 111.6 | P2204 A2205 L2209 K2210 E2211 | P2204-N2207 WeakPolarHBondContact O-CB 3.42Å; P2204-N2207 PolarHBondContact O-N 3.29Å; A2205-N2207 VanDerWaalsContact C-N 3.26Å; A2205-N2207 PolarHBondContact O-N 3.46Å; N2207-L2209 VanDerWaalsContact C-N 3.31Å; N2207-L2209 PolarHBondContact O-N 3.4Å; N2207-K2210 PolarHBondContact O-N 3.27Å; N2207-E2211 PolarHBondContact O-N 3.3Å |
| 2208 | N | 80.8 | Confident | 81.1 | Confident | 113 Ų | 113 | 62.5 Ų | 62.5 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 172.5 | -66.7 | -11.8 | 0 | 0 | 0 | 111.3 | P2204 A2205 E2211 A2212 | P2204-N2208 PolarHBondContact O-N 3.32Å; A2205-N2208 PolarHBondContact O-N 2.92Å; N2208-E2211 PolarHBondContact O-N 3.17Å; N2208-A2212 WeakPolarHBondContact O-CB 3.36Å; N2208-A2212 PolarHBondContact O-N 3.32Å |
| 2209 | L | 86.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 173.3 | 176.7 | 57.7 | 0 | 0 | 0 | 112.6 | V2129 A2132 L2189 A2192 T2193 A2196 A2205 M2206 N2207 A2212 A2213 | V2129-L2209 HydrophobicContact CG2-CD1 4.27Å; V2129-L2209 HydrophobicContact CG2-CG 4.27Å; A2132-L2209 HydrophobicContact CB-CD2 3.35Å; L2189-L2209 HydrophobicContact CD1-CD1 3.63Å; A2192-L2209 HydrophobicContact CB-CB 4.38Å; A2192-L2209 HydrophobicContact CB-CD1 4.2Å; T2193-L2209 VanDerWaalsContact OG1-CD1 3.29Å; T2193-L2209 WeakPolarHBondContact OG1-CD1 3.46Å; A2196-L2209 HydrophobicContact CB-CB 4.33Å; A2196-L2209 HydrophobicContact CB-CD2 3.97Å; A2205-L2209 PolarHBondContact O-N 3.42Å; M2206-L2209 HydrophobicContact SD-CD2 3.92Å; N2207-L2209 VanDerWaalsContact C-N 3.31Å; N2207-L2209 PolarHBondContact O-N 3.4Å; L2209-A2212 PolarHBondContact O-N 2.95Å; L2209-A2213 WeakPolarHBondContact O-CB 3.41Å; L2209-A2213 PolarHBondContact O-N 3.45Å |
| 2210 | K | 84.3 | Confident | 82.4 | Confident | 98 Ų | 98 | 57.9 Ų | 57.9 | 43% | 0.426 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 176.3 | -73.3 | 164.6 | -170.6 | 161.6 | 0 | 112.4 | M2206 N2207 A2213 K2214 | M2206-K2210 WeakPolarHBondContact O-CD 3.33Å; M2206-K2210 VanDerWaalsContact O-CG 3.27Å; M2206-K2210 WeakPolarHBondContact O-CG 3.43Å; M2206-K2210 PolarHBondContact O-N 2.98Å; M2206-K2210 VanDerWaalsContact O-N 3.14Å; N2207-K2210 PolarHBondContact O-N 3.27Å; K2210-A2213 PolarHBondContact O-N 3.24Å; K2210-K2214 WeakPolarHBondContact O-CB 3.38Å; K2210-K2214 PolarHBondContact O-N 2.85Å |
| 2211 | E | 84 | Confident | 82.9 | Confident | 92 Ų | 92 | 57.4 Ų | 57.4 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.2 | -37.6 | 178.3 | -166.3 | 63 | -160.3 | 0 | 0 | 111.5 | N2207 N2208 A2213 K2214 V2215 | N2207-E2211 PolarHBondContact O-N 3.3Å; N2208-E2211 PolarHBondContact O-N 3.17Å; E2211-A2213 PolarHBondContact O-N 3.09Å; E2211-K2214 WeakPolarHBondContact O-CB 3.47Å; E2211-K2214 PolarHBondContact O-N 3.01Å; E2211-K2214 IonicContact OE1-NZ 3.52Å; E2211-K2214 PolarHBondContact OE1-NZ 3.42Å; E2211-K2214 WeakPolarHBondContact OE2-CD 3.25Å; E2211-K2214 IonicContact OE2-NZ 2.61Å; E2211-K2214 PolarHBondContact OE2-NZ 2.94Å; E2211-V2215 WeakPolarHBondContact O-CG2 3.48Å; E2211-V2215 PolarHBondContact O-N 2.7Å |
| 2212 | A | 85.8 | Confident | 83.3 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L2189 A2192 N2208 L2209 K2214 V2215 M2216 | L2189-A2212 HydrophobicContact CD1-CB 4.22Å; A2192-A2212 HydrophobicContact CB-CB 4.01Å; N2208-A2212 WeakPolarHBondContact O-CB 3.36Å; N2208-A2212 PolarHBondContact O-N 3.32Å; L2209-A2212 PolarHBondContact O-N 2.95Å; A2212-K2214 VanDerWaalsContact C-N 3.32Å; A2212-K2214 PolarHBondContact O-N 3.45Å; A2212-V2215 PolarHBondContact O-N 2.72Å; A2212-M2216 PolarHBondContact O-N 3Å |
| 2213 | A | 87.2 | Confident | 83.6 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T2125 V2129 L2189 L2209 K2210 E2211 M2216 V2217 | T2125-A2213 HydrophobicContact CG2-CB 4.13Å; V2129-A2213 HydrophobicContact CG2-CB 3.56Å; L2189-A2213 HydrophobicContact CD1-CB 3.91Å; L2209-A2213 WeakPolarHBondContact O-CB 3.41Å; L2209-A2213 PolarHBondContact O-N 3.45Å; K2210-A2213 PolarHBondContact O-N 3.24Å; E2211-A2213 PolarHBondContact O-N 3.09Å; A2213-M2216 WeakPolarHBondContact O-CB 3.29Å; A2213-M2216 PolarHBondContact O-N 3.34Å; A2213-V2217 WeakPolarHBondContact O-CG2 3.41Å; A2213-V2217 PolarHBondContact O-N 3.45Å |
| 2214 | K | 87.8 | Confident | 84 | Confident | 119 Ų | 119 | 45.4 Ų | 45.4 | 52% | 0.517 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 173.9 | 175.6 | 175.7 | 155.1 | -130.8 | 0 | 112 | K2210 E2211 A2212 M2216 V2217 T2218 | K2210-K2214 WeakPolarHBondContact O-CB 3.38Å; K2210-K2214 PolarHBondContact O-N 2.85Å; E2211-K2214 WeakPolarHBondContact O-CB 3.47Å; E2211-K2214 PolarHBondContact O-N 3.01Å; E2211-K2214 IonicContact OE1-NZ 3.52Å; E2211-K2214 PolarHBondContact OE1-NZ 3.42Å; E2211-K2214 WeakPolarHBondContact OE2-CD 3.25Å; E2211-K2214 IonicContact OE2-NZ 2.61Å; E2211-K2214 PolarHBondContact OE2-NZ 2.94Å; A2212-K2214 VanDerWaalsContact C-N 3.32Å; A2212-K2214 PolarHBondContact O-N 3.45Å; K2214-M2216 VanDerWaalsContact C-N 3.31Å; K2214-M2216 PolarHBondContact O-N 2.73Å; K2214-V2217 PolarHBondContact O-N 3.49Å; K2214-T2218 PolarHBondContact O-N 3.42Å; K2214-T2218 PolarHBondContact O-OG1 2.97Å; K2214-T2218 VanDerWaalsContact O-OG1 3.1Å |
| 2215 | V | 85.6 | Confident | 84.1 | Confident | 40 Ų | 40 | 45.7 Ų | 45.7 | 24% | 0.242 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 172.3 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | A2185 E2211 A2212 T2218 N2219 | A2185-V2215 HydrophobicContact CB-CG1 4.28Å; E2211-V2215 WeakPolarHBondContact O-CG2 3.48Å; E2211-V2215 PolarHBondContact O-N 2.7Å; A2212-V2215 PolarHBondContact O-N 2.72Å; V2215-T2218 PolarHBondContact O-N 3.44Å; V2215-N2219 PolarHBondContact O-N 3.46Å; V2215-N2219 PolarHBondContact O-OD1 3.49Å |
| 2216 | M | 88.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.4 | -48.4 | 176.4 | -175.6 | 60.1 | -179.8 | 0 | 0 | 112.5 | L2121 T2125 V2182 A2185 L2186 L2189 A2212 A2213 K2214 T2218 N2219 V2220 | L2121-M2216 HydrophobicContact CD1-CE 4.01Å; L2121-M2216 HydrophobicContact CD2-CE 3.45Å; L2121-M2216 VanDerWaalsContact CD2-CE 3.45Å; L2121-M2216 HydrophobicContact CG-CE 3.52Å; T2125-M2216 HydrophobicContact CG2-CB 4.3Å; T2125-M2216 HydrophobicContact CG2-CG 4.1Å; T2125-M2216 WeakPolarHBondContact OG1-CG 3.34Å; V2182-M2216 HydrophobicContact CG1-CE 3.67Å; V2182-M2216 HydrophobicContact CG1-SD 4.33Å; A2185-M2216 HydrophobicContact CB-CB 4.39Å; A2185-M2216 HydrophobicContact CB-SD 3.71Å; L2186-M2216 HydrophobicContact CB-CE 3.8Å; L2186-M2216 HydrophobicContact CB-SD 4.07Å; L2186-M2216 HydrophobicContact CD1-CE 4.27Å; L2186-M2216 HydrophobicContact CG-CE 4.47Å; L2189-M2216 HydrophobicContact CD2-CB 4.42Å; L2189-M2216 HydrophobicContact CD2-CG 4.23Å; A2212-M2216 PolarHBondContact O-N 3Å; A2213-M2216 WeakPolarHBondContact O-CB 3.29Å; A2213-M2216 PolarHBondContact O-N 3.34Å; K2214-M2216 VanDerWaalsContact C-N 3.31Å; K2214-M2216 PolarHBondContact O-N 2.73Å; M2216-T2218 VanDerWaalsContact C-N 3.33Å; M2216-T2218 PolarHBondContact O-N 2.99Å; M2216-N2219 PolarHBondContact O-N 3.13Å; M2216-V2220 HydrophobicContact CE-CG2 4.04Å; M2216-V2220 WeakPolarHBondContact O-CG2 3.33Å; M2216-V2220 PolarHBondContact O-N 3.11Å; M2216-V2220 HydrophobicContact SD-CG2 4.48Å |
| 2217 | V | 87.4 | Confident | 83.9 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.9 | -38.5 | 176.9 | 172 | 0 | 0 | 0 | 0 | 111.7 | T2125 A2213 K2214 T2221 | T2125-V2217 HydrophobicContact CG2-CG2 4.38Å; A2213-V2217 WeakPolarHBondContact O-CG2 3.41Å; A2213-V2217 PolarHBondContact O-N 3.45Å; K2214-V2217 PolarHBondContact O-N 3.49Å; V2217-T2221 WeakPolarHBondContact O-CB 3.42Å; V2217-T2221 PolarHBondContact O-N 3.33Å; V2217-T2221 PolarHBondContact O-OG1 2.99Å |
| 2218 | T | 85.3 | Confident | 83.4 | Confident | 44 Ų | 44 | 48.1 Ų | 48.1 | 27% | 0.27 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.9 | -47.9 | 173.7 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | K2214 V2215 M2216 V2220 T2221 S2222 E2246 | K2214-T2218 PolarHBondContact O-N 3.42Å; K2214-T2218 PolarHBondContact O-OG1 2.97Å; K2214-T2218 VanDerWaalsContact O-OG1 3.1Å; V2215-T2218 PolarHBondContact O-N 3.44Å; M2216-T2218 VanDerWaalsContact C-N 3.33Å; M2216-T2218 PolarHBondContact O-N 2.99Å; T2218-V2220 PolarHBondContact O-N 3.03Å; T2218-T2221 CarbonylContact O-C 3.5Å; T2218-T2221 WeakPolarHBondContact O-CA 3.31Å; T2218-T2221 WeakPolarHBondContact O-CB 3.28Å; T2218-T2221 PolarHBondContact O-N 3.44Å; T2218-T2221 VanDerWaalsContact O-N 3.11Å; T2218-S2222 PolarHBondContact O-N 3.48Å; T2218-S2222 PolarHBondContact O-OG 2.91Å; T2218-E2246 WeakPolarHBondContact CG2-OE1 3.37Å |
| 2219 | N | 84.5 | Confident | 82.7 | Confident | 20 Ų | 20 | 43 Ų | 43 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.3 | -39.8 | -178.9 | -73.6 | 10.9 | 0 | 0 | 0 | 111.9 | D2181 V2182 A2185 V2215 M2216 T2221 S2222 L2223 | D2181-N2219 PolarHBondContact O-ND2 3.05Å; V2182-N2219 HydrophobicContact CG2-CB 4.1Å; A2185-N2219 HydrophobicContact CB-CB 4.37Å; V2215-N2219 PolarHBondContact O-N 3.46Å; V2215-N2219 PolarHBondContact O-OD1 3.49Å; M2216-N2219 PolarHBondContact O-N 3.13Å; N2219-T2221 VanDerWaalsContact C-N 3.33Å; N2219-T2221 PolarHBondContact O-N 2.81Å; N2219-S2222 PolarHBondContact O-N 2.77Å; N2219-L2223 PolarHBondContact O-N 2.96Å |
| 2220 | V | 86.2 | Confident | 81.8 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 171.9 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | A2118 L2121 V2122 V2182 M2216 T2218 S2222 L2223 L2224 | A2118-V2220 HydrophobicContact CB-CG1 4.1Å; L2121-V2220 HydrophobicContact CD2-CG2 4.38Å; V2122-V2220 HydrophobicContact CG2-CB 4.3Å; V2122-V2220 HydrophobicContact CG2-CG1 3.78Å; V2182-V2220 HydrophobicContact CG1-CG2 3.87Å; V2182-V2220 HydrophobicContact CG2-CG2 4.04Å; M2216-V2220 HydrophobicContact CE-CG2 4.04Å; M2216-V2220 WeakPolarHBondContact O-CG2 3.33Å; M2216-V2220 PolarHBondContact O-N 3.11Å; M2216-V2220 HydrophobicContact SD-CG2 4.48Å; T2218-V2220 PolarHBondContact O-N 3.03Å; V2220-S2222 VanDerWaalsContact C-N 3.29Å; V2220-S2222 PolarHBondContact O-N 3.3Å; V2220-L2223 PolarHBondContact O-N 3.37Å; V2220-L2224 HydrophobicContact CG1-CD1 4.46Å; V2220-L2224 VanDerWaalsContact O-CG 3.31Å; V2220-L2224 WeakPolarHBondContact O-CG 3.5Å; V2220-L2224 PolarHBondContact O-N 3.2Å |
| 2221 | T | 83.7 | Confident | 80.8 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 39% | 0.387 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.9 | -37 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | V2217 T2218 N2219 L2224 K2225 | V2217-T2221 WeakPolarHBondContact O-CB 3.42Å; V2217-T2221 PolarHBondContact O-N 3.33Å; V2217-T2221 PolarHBondContact O-OG1 2.99Å; T2218-T2221 CarbonylContact O-C 3.5Å; T2218-T2221 WeakPolarHBondContact O-CA 3.31Å; T2218-T2221 WeakPolarHBondContact O-CB 3.28Å; T2218-T2221 PolarHBondContact O-N 3.44Å; T2218-T2221 VanDerWaalsContact O-N 3.11Å; N2219-T2221 VanDerWaalsContact C-N 3.33Å; N2219-T2221 PolarHBondContact O-N 2.81Å; T2221-L2224 PolarHBondContact O-N 3.46Å; T2221-K2225 WeakPolarHBondContact O-CG 3.49Å; T2221-K2225 PolarHBondContact O-N 2.95Å |
| 2222 | S | 81.5 | Confident | 79.6 | Confident | 26 Ų | 26 | 42.6 Ų | 42.6 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.7 | -40.8 | 173.7 | -69.2 | 0 | 0 | 0 | 0 | 112 | T2218 N2219 V2220 L2224 K2225 T2226 | T2218-S2222 PolarHBondContact O-N 3.48Å; T2218-S2222 PolarHBondContact O-OG 2.91Å; N2219-S2222 PolarHBondContact O-N 2.77Å; V2220-S2222 VanDerWaalsContact C-N 3.29Å; V2220-S2222 PolarHBondContact O-N 3.3Å; S2222-L2224 VanDerWaalsContact C-N 3.35Å; S2222-L2224 PolarHBondContact O-N 3.49Å; S2222-K2225 CarbonylContact O-C 3.55Å; S2222-K2225 WeakPolarHBondContact O-CB 3.47Å; S2222-K2225 PolarHBondContact O-N 2.82Å; S2222-K2225 VanDerWaalsContact O-N 3.12Å; S2222-T2226 WeakPolarHBondContact O-CB 3.41Å; S2222-T2226 PolarHBondContact O-N 2.73Å; S2222-T2226 PolarHBondContact O-OG1 2.99Å |
| 2223 | L | 84 | Confident | 78.3 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 169.8 | 177.2 | 63.1 | 0 | 0 | 0 | 111.8 | L2153 A2178 V2182 N2219 V2220 K2225 T2226 V2227 | L2153-L2223 HydrophobicContact CD1-CD2 4.14Å; L2153-L2223 HydrophobicContact CD2-CD2 4Å; L2153-L2223 HydrophobicContact CG-CD2 4.48Å; A2178-L2223 HydrophobicContact CB-CB 4.45Å; A2178-L2223 HydrophobicContact CB-CD1 3.66Å; V2182-L2223 HydrophobicContact CG2-CB 4.15Å; V2182-L2223 HydrophobicContact CG2-CD2 4.18Å; N2219-L2223 PolarHBondContact O-N 2.96Å; V2220-L2223 PolarHBondContact O-N 3.37Å; L2223-K2225 VanDerWaalsContact C-N 3.29Å; L2223-K2225 PolarHBondContact O-N 2.93Å; L2223-T2226 PolarHBondContact O-N 3.11Å; L2223-T2226 VanDerWaalsContact O-N 3.15Å; L2223-V2227 HydrophobicContact CD1-CG2 4.14Å; L2223-V2227 WeakPolarHBondContact O-CG2 3.36Å; L2223-V2227 PolarHBondContact O-N 2.81Å |
| 2224 | L | 82.6 | Confident | 77.3 | Confident | 45 Ų | 45 | 56 Ų | 56 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.5 | -33 | 175.3 | -66 | 174 | 0 | 0 | 0 | 112.8 | L2115 A2118 V2220 T2221 S2222 K2228 | L2115-L2224 HydrophobicContact CD2-CD2 3.44Å; L2115-L2224 VanDerWaalsContact CD2-CD2 3.44Å; A2118-L2224 HydrophobicContact CB-CD2 3.89Å; V2220-L2224 HydrophobicContact CG1-CD1 4.46Å; V2220-L2224 VanDerWaalsContact O-CG 3.31Å; V2220-L2224 WeakPolarHBondContact O-CG 3.5Å; V2220-L2224 PolarHBondContact O-N 3.2Å; T2221-L2224 PolarHBondContact O-N 3.46Å; S2222-L2224 VanDerWaalsContact C-N 3.35Å; S2222-L2224 PolarHBondContact O-N 3.49Å; L2224-K2228 WeakPolarHBondContact O-CG 3.42Å |
| 2225 | K | 78.7 | Confident | 76.4 | Confident | 99 Ų | 99 | 54.7 Ų | 54.7 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.7 | -42.9 | 171 | -71.7 | 173.2 | -178.4 | 177.9 | 0 | 111.5 | T2221 S2222 L2223 K2228 T2229 | T2221-K2225 WeakPolarHBondContact O-CG 3.49Å; T2221-K2225 PolarHBondContact O-N 2.95Å; S2222-K2225 CarbonylContact O-C 3.55Å; S2222-K2225 WeakPolarHBondContact O-CB 3.47Å; S2222-K2225 PolarHBondContact O-N 2.82Å; S2222-K2225 VanDerWaalsContact O-N 3.12Å; L2223-K2225 VanDerWaalsContact C-N 3.29Å; L2223-K2225 PolarHBondContact O-N 2.93Å; K2225-K2228 PolarHBondContact O-N 2.96Å; K2225-T2229 PolarHBondContact O-N 3Å; K2225-T2229 PolarHBondContact O-OG1 2.8Å |
| 2226 | T | 77.3 | Confident | 75.5 | Confident | 23 Ų | 23 | 54.1 Ų | 54.1 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.7 | -48.6 | -179.2 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | L2174 V2175 A2178 S2222 L2223 K2228 T2229 V2230 | L2174-T2226 HydrophobicContact CD2-CG2 3.65Å; L2174-T2226 HydrophobicContact CG-CG2 4Å; V2175-T2226 HydrophobicContact CG2-CG2 4.45Å; A2178-T2226 HydrophobicContact CB-CG2 3.95Å; S2222-T2226 WeakPolarHBondContact O-CB 3.41Å; S2222-T2226 PolarHBondContact O-N 2.73Å; S2222-T2226 PolarHBondContact O-OG1 2.99Å; L2223-T2226 PolarHBondContact O-N 3.11Å; L2223-T2226 VanDerWaalsContact O-N 3.15Å; T2226-K2228 PolarHBondContact O-N 2.73Å; T2226-T2229 VanDerWaalsContact CA-OG1 3.29Å; T2226-T2229 WeakPolarHBondContact CA-OG1 3.48Å; T2226-T2229 PolarHBondContact O-N 3.22Å; T2226-T2229 PolarHBondContact O-OG1 2.79Å; T2226-V2230 WeakPolarHBondContact O-CG2 3.47Å; T2226-V2230 PolarHBondContact O-N 2.73Å |
| 2227 | V | 77.2 | Confident | 74.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.1 | -36.4 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | F2107 R2111 I2114 L2223 | F2107-V2227 HydrophobicContact CE1-CG1 4.28Å; F2107-V2227 HydrophobicContact CZ-CG1 4.29Å; R2111-V2227 HydrophobicContact CG-CG1 3.77Å; I2114-V2227 HydrophobicContact CD1-CG2 4.44Å; I2114-V2227 HydrophobicContact CG2-CG2 3.8Å; L2223-V2227 HydrophobicContact CD1-CG2 4.14Å; L2223-V2227 WeakPolarHBondContact O-CG2 3.36Å; L2223-V2227 PolarHBondContact O-N 2.81Å |
| 2228 | K | 73.4 | Confident | 74 | Confident | 133 Ų | 133 | 52.5 Ų | 52.5 | 58% | 0.578 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -73.9 | -27.6 | 174 | -70.9 | 176.5 | -180 | -176.2 | 0 | 114 | L2224 K2225 T2226 | L2224-K2228 WeakPolarHBondContact O-CG 3.42Å; K2225-K2228 PolarHBondContact O-N 2.96Å; T2226-K2228 PolarHBondContact O-N 2.73Å |
| 2229 | T | 66.1 | Low | 73.3 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -79.2 | -20.4 | 177.2 | 40.5 | 0 | 0 | 0 | 0 | 114.6 | K2225 T2226 E2231 D2232 R2239 | K2225-T2229 PolarHBondContact O-N 3Å; K2225-T2229 PolarHBondContact O-OG1 2.8Å; T2226-T2229 VanDerWaalsContact CA-OG1 3.29Å; T2226-T2229 WeakPolarHBondContact CA-OG1 3.48Å; T2226-T2229 PolarHBondContact O-N 3.22Å; T2226-T2229 PolarHBondContact O-OG1 2.79Å; T2229-E2231 PolarHBondContact O-N 3.15Å; T2229-D2232 PolarHBondContact O-N 2.94Å; T2229-R2239 HydrophobicContact CG2-CB 4.05Å; T2229-R2239 VanDerWaalsContact CG2-CD 3.47Å; T2229-R2239 HydrophobicContact CG2-CG 4Å |
| 2230 | V | 66.9 | Low | 72.6 | Confident | 31 Ų | 31 | 53 Ų | 53 | 19% | 0.188 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.5 | 176.4 | 175 | 0 | 0 | 0 | 0 | 111.3 | F2107 L2164 L2174 V2175 T2226 | F2107-V2230 HydrophobicContact CD1-CB 4.2Å; F2107-V2230 HydrophobicContact CD1-CG1 3.68Å; F2107-V2230 HydrophobicContact CD2-CG1 4.19Å; F2107-V2230 HydrophobicContact CE1-CB 3.71Å; F2107-V2230 HydrophobicContact CE1-CG1 3.67Å; F2107-V2230 HydrophobicContact CE1-CG2 4.33Å; F2107-V2230 HydrophobicContact CE2-CG1 4.19Å; F2107-V2230 HydrophobicContact CG-CG1 3.95Å; F2107-V2230 HydrophobicContact CZ-CB 3.95Å; F2107-V2230 HydrophobicContact CZ-CG1 3.93Å; F2107-V2230 HydrophobicContact CZ-CG2 4.06Å; L2164-V2230 HydrophobicContact CD1-CG1 4.35Å; L2164-V2230 HydrophobicContact CD2-CG1 3.85Å; L2174-V2230 HydrophobicContact CD2-CG2 4.38Å; V2175-V2230 HydrophobicContact CG2-CG2 3.54Å; T2226-V2230 WeakPolarHBondContact O-CG2 3.47Å; T2226-V2230 PolarHBondContact O-N 2.73Å |
| 2231 | E | 62 | Low | 72.5 | Confident | 99 Ų | 99 | 52.9 Ų | 52.9 | 46% | 0.463 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -6.2 | 173.5 | -62.5 | 176.7 | 155.6 | 0 | 0 | 114.1 | R2111 T2229 | R2111-E2231 VanDerWaalsContact CD-OE1 3.24Å; R2111-E2231 WeakPolarHBondContact CD-OE1 3.49Å; R2111-E2231 IonicContact CZ-OE1 3.92Å; R2111-E2231 IonicContact CZ-OE2 2.66Å; R2111-E2231 IonicContact NE-OE1 3.27Å; R2111-E2231 VanDerWaalsContact NH1-CD 3.29Å; R2111-E2231 IonicContact NH1-OE1 2.66Å; R2111-E2231 PolarHBondContact NH1-OE1 2.82Å; R2111-E2231 IonicContact NH1-OE2 3.47Å; R2111-E2231 PolarHBondContact NH1-OE2 2.83Å; T2229-E2231 PolarHBondContact O-N 3.15Å |
| 2232 | D | 60.3 | Low | 72.3 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | trans | -126.3 | 83.8 | -169.3 | -174.7 | 6.8 | 0 | 0 | 0 | 111.9 | T2229 H2234 Q2235 R2239 | T2229-D2232 PolarHBondContact O-N 2.94Å; D2232-H2234 PolarHBondContact O-N 3.3Å; D2232-H2234 VanDerWaalsContact O-N 3.11Å; D2232-Q2235 PolarHBondContact O-N 3.36Å; D2232-R2239 IonicContact OD2-NH2 2.73Å | ||
| 2233 | E | 58.6 | Low | 72 | Confident | 155 Ų | 155 | 54.5 Ų | 54.5 | 72% | 0.724 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -32.4 | -175.2 | -65.5 | -176.2 | 147.6 | 0 | 0 | 113.8 | Q2235 | E2233-Q2235 PolarHBondContact O-N 2.64Š|
| 2234 | H | 65.1 | Low | 71.9 | Confident | 156 Ų | 156 | 54.6 Ų | 54.6 | 72% | 0.722 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.9 | -169.7 | -76.1 | 65.8 | 0 | 0 | 0 | 114.3 | D2232 | D2232-H2234 PolarHBondContact O-N 3.3Å; D2232-H2234 VanDerWaalsContact O-N 3.11Å |
| 2235 | Q | 68.3 | Low | 71.9 | Confident | 92 Ų | 92 | 53.3 Ų | 53.3 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 1.3 | -179.3 | -58.4 | -166.7 | 7.2 | 0 | 0 | 113.9 | D2232 E2233 G2237 T2238 R2239 | D2232-Q2235 PolarHBondContact O-N 3.36Å; E2233-Q2235 PolarHBondContact O-N 2.64Å; Q2235-G2237 PolarHBondContact O-N 3.46Å; Q2235-T2238 PolarHBondContact O-N 2.93Å; Q2235-R2239 PolarHBondContact O-N 3.34Å; Q2235-R2239 VanDerWaalsContact O-N 3.1Å |
| 2236 | R | 66.7 | Low | 72 | Confident | 28 Ų | 28 | 52.3 Ų | 52.3 | 11% | 0.106 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | -169.1 | -163.1 | -176.6 | 163.4 | -164.4 | -8.4 | 113 | N2168 A2171 A2240 D2294 I2297 | N2168-R2236 PolarHBondContact OD1-NH2 3.38Å; A2171-R2236 VanDerWaalsContact CB-NH2 3.33Å; R2236-A2240 WeakPolarHBondContact O-CB 3.44Å; R2236-A2240 PolarHBondContact O-N 2.86Å; R2236-D2294 IonicContact NH1-OD1 2.78Å; R2236-I2297 HydrophobicContact CB-CD1 4.17Å; R2236-I2297 HydrophobicContact CG-CD1 3.63Å |
| 2237 | G | 70.9 | Confident | 72 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.5 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q2235 R2239 A2240 L2241 Q2293 V2296 | Q2235-G2237 PolarHBondContact O-N 3.46Å; G2237-R2239 PolarHBondContact O-N 2.82Å; G2237-A2240 PolarHBondContact O-N 2.9Å; G2237-L2241 WeakPolarHBondContact O-CB 3.31Å; G2237-L2241 PolarHBondContact O-N 2.9Å; G2237-Q2293 VanDerWaalsContact CA-OE1 3.22Å; G2237-V2296 VanDerWaalsContact O-CG1 3.29Å; G2237-V2296 WeakPolarHBondContact O-CG1 3.42Å |
| 2238 | T | 75.5 | Confident | 72.3 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 16% | 0.16 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58 | -45.2 | 179 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | Q2235 L2241 E2242 | Q2235-T2238 PolarHBondContact O-N 2.93Å; T2238-L2241 WeakPolarHBondContact O-CB 3.33Å; T2238-L2241 PolarHBondContact O-N 2.77Å; T2238-E2242 WeakPolarHBondContact O-CG 3.24Å; T2238-E2242 PolarHBondContact O-N 2.95Å |
| 2239 | R | 70.9 | Confident | 72.8 | Confident | 63 Ų | 63 | 45.7 Ų | 45.7 | 24% | 0.238 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.9 | -32.6 | 178.5 | -58.4 | -159.7 | -152.5 | 144.1 | 8.4 | 113.2 | T2229 D2232 Q2235 G2237 L2241 E2242 A2243 | T2229-R2239 HydrophobicContact CG2-CB 4.05Å; T2229-R2239 VanDerWaalsContact CG2-CD 3.47Å; T2229-R2239 HydrophobicContact CG2-CG 4Å; D2232-R2239 IonicContact OD2-NH2 2.73Å; Q2235-R2239 PolarHBondContact O-N 3.34Å; Q2235-R2239 VanDerWaalsContact O-N 3.1Å; G2237-R2239 PolarHBondContact O-N 2.82Å; R2239-L2241 VanDerWaalsContact C-N 3.29Å; R2239-L2241 PolarHBondContact O-N 3.22Å; R2239-E2242 PolarHBondContact O-N 3.45Å; R2239-A2243 WeakPolarHBondContact O-CB 3.26Å; R2239-A2243 PolarHBondContact O-N 2.83Å |
| 2240 | A | 69.9 | Low | 73.3 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -38.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2174 R2236 G2237 A2243 A2244 I2297 | L2174-A2240 HydrophobicContact CD1-CB 4.07Å; R2236-A2240 WeakPolarHBondContact O-CB 3.44Å; R2236-A2240 PolarHBondContact O-N 2.86Å; G2237-A2240 PolarHBondContact O-N 2.9Å; A2240-A2243 PolarHBondContact O-N 2.81Å; A2240-A2244 PolarHBondContact O-N 2.81Å; A2240-I2297 HydrophobicContact CB-CG1 4.12Å |
| 2241 | L | 82.4 | Confident | 74 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.9 | -43.6 | 175.7 | -175.7 | 64.7 | 0 | 0 | 0 | 112.5 | G2237 T2238 R2239 A2243 A2244 I2245 V2296 A2300 L2345 L2348 N2349 L2352 | G2237-L2241 WeakPolarHBondContact O-CB 3.31Å; G2237-L2241 PolarHBondContact O-N 2.9Å; T2238-L2241 WeakPolarHBondContact O-CB 3.33Å; T2238-L2241 PolarHBondContact O-N 2.77Å; R2239-L2241 VanDerWaalsContact C-N 3.29Å; R2239-L2241 PolarHBondContact O-N 3.22Å; L2241-A2243 VanDerWaalsContact C-N 3.34Å; L2241-A2243 PolarHBondContact O-N 3.21Å; L2241-A2244 PolarHBondContact O-N 2.98Å; L2241-I2245 HydrophobicContact CD1-CD1 4.47Å; L2241-I2245 HydrophobicContact CG-CD1 4.07Å; L2241-I2245 WeakPolarHBondContact O-CD1 3.34Å; L2241-I2245 VanDerWaalsContact O-CG1 3.28Å; L2241-I2245 WeakPolarHBondContact O-CG1 3.34Å; L2241-I2245 PolarHBondContact O-N 3.47Å; L2241-V2296 HydrophobicContact CB-CG1 4.01Å; L2241-V2296 HydrophobicContact CD2-CG1 4.26Å; L2241-A2300 HydrophobicContact CB-CB 4.48Å; L2241-A2300 HydrophobicContact CD1-CB 4.29Å; L2241-L2345 HydrophobicContact CD1-CB 3.86Å; L2241-L2345 HydrophobicContact CD1-CD2 3.66Å; L2241-L2345 HydrophobicContact CD1-CG 4.19Å; L2241-L2348 HydrophobicContact CD1-CD2 3.93Å; L2241-L2348 HydrophobicContact CD1-CG 4.47Å; L2241-L2348 HydrophobicContact CD2-CB 4.04Å; L2241-L2348 HydrophobicContact CD2-CD2 3.95Å; L2241-L2348 HydrophobicContact CD2-CG 3.66Å; L2241-N2349 HydrophobicContact CD2-CB 3.75Å; L2241-N2349 HydrophobicContact CG-CB 4.44Å; L2241-L2352 HydrophobicContact CD2-CD1 3.76Å |
| 2242 | E | 80.5 | Confident | 75 | Confident | 84 Ų | 84 | 45.2 Ų | 45.2 | 39% | 0.393 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.6 | -46.9 | 172.4 | -72.8 | 179.8 | 159 | 0 | 0 | 111.6 | T2238 R2239 A2244 I2245 E2246 | T2238-E2242 WeakPolarHBondContact O-CG 3.24Å; T2238-E2242 PolarHBondContact O-N 2.95Å; R2239-E2242 PolarHBondContact O-N 3.45Å; E2242-A2244 PolarHBondContact O-N 2.63Å; E2242-I2245 PolarHBondContact O-N 3.39Å; E2242-E2246 PolarHBondContact O-N 3.41Å |
| 2243 | A | 74.8 | Confident | 76 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.3 | -39.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R2239 A2240 L2241 E2246 A2247 | R2239-A2243 WeakPolarHBondContact O-CB 3.26Å; R2239-A2243 PolarHBondContact O-N 2.83Å; A2240-A2243 PolarHBondContact O-N 2.81Å; L2241-A2243 VanDerWaalsContact C-N 3.34Å; L2241-A2243 PolarHBondContact O-N 3.21Å; A2243-E2246 PolarHBondContact O-N 2.91Å; A2243-A2247 VanDerWaalsContact O-CB 3.32Å; A2243-A2247 WeakPolarHBondContact O-CB 3.23Å; A2243-A2247 PolarHBondContact O-N 2.83Å |
| 2244 | A | 81.5 | Confident | 76.8 | Confident | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A2240 L2241 E2242 E2246 A2247 I2248 A2300 R2304 L2345 | A2240-A2244 PolarHBondContact O-N 2.81Å; L2241-A2244 PolarHBondContact O-N 2.98Å; E2242-A2244 PolarHBondContact O-N 2.63Å; A2244-E2246 VanDerWaalsContact C-N 3.33Å; A2244-A2247 PolarHBondContact O-N 3.05Å; A2244-I2248 WeakPolarHBondContact O-CB 3.27Å; A2244-I2248 WeakPolarHBondContact O-CG1 3.3Å; A2244-I2248 PolarHBondContact O-N 2.72Å; A2244-A2300 HydrophobicContact CB-CB 3.93Å; A2244-R2304 HydrophobicContact CB-CB 4.29Å; A2244-L2345 HydrophobicContact CB-CD1 4.41Å |
| 2245 | I | 83.2 | Confident | 77.5 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 9% | 0.092 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -38.3 | 175.8 | -68.6 | 162.4 | 0 | 0 | 0 | 111.4 | L2241 E2242 G2249 R2342 L2345 Q2346 N2349 | L2241-I2245 HydrophobicContact CD1-CD1 4.47Å; L2241-I2245 HydrophobicContact CG-CD1 4.07Å; L2241-I2245 WeakPolarHBondContact O-CD1 3.34Å; L2241-I2245 VanDerWaalsContact O-CG1 3.28Å; L2241-I2245 WeakPolarHBondContact O-CG1 3.34Å; L2241-I2245 PolarHBondContact O-N 3.47Å; E2242-I2245 PolarHBondContact O-N 3.39Å; I2245-G2249 PolarHBondContact O-N 3.4Å; I2245-R2342 HydrophobicContact CG2-CG 4.33Å; I2245-R2342 PolarHBondContact O-NE 3.12Å; I2245-L2345 HydrophobicContact CD1-CB 4.05Å; I2245-L2345 HydrophobicContact CG1-CB 3.58Å; I2245-L2345 HydrophobicContact CG1-CD1 4.34Å; I2245-Q2346 HydrophobicContact CD1-CG 4.16Å; I2245-Q2346 HydrophobicContact CG1-CG 4.47Å; I2245-Q2346 HydrophobicContact CG2-CG 3.99Å; I2245-N2349 HydrophobicContact CD1-CB 4.22Å |
| 2246 | E | 81.1 | Confident | 77.8 | Confident | 79 Ų | 79 | 37.7 Ų | 37.7 | 37% | 0.369 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -70.3 | -47.1 | 176.2 | -177.1 | 163.2 | -154.9 | 0 | 0 | 111.5 | T2218 E2242 A2243 A2244 I2248 G2249 Q2250 | T2218-E2246 WeakPolarHBondContact CG2-OE1 3.37Å; E2242-E2246 PolarHBondContact O-N 3.41Å; A2243-E2246 PolarHBondContact O-N 2.91Å; A2244-E2246 VanDerWaalsContact C-N 3.33Å; E2246-I2248 PolarHBondContact O-N 2.92Å; E2246-G2249 CarbonylContact O-C 3.6Å; E2246-G2249 WeakPolarHBondContact O-CA 3.38Å; E2246-G2249 PolarHBondContact O-N 3.06Å; E2246-Q2250 PolarHBondContact O-N 3.44Å |
| 2247 | A | 76.5 | Confident | 78 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.8 | -48.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A2243 A2244 G2249 Q2250 E2251 R2304 | A2243-A2247 VanDerWaalsContact O-CB 3.32Å; A2243-A2247 WeakPolarHBondContact O-CB 3.23Å; A2243-A2247 PolarHBondContact O-N 2.83Å; A2244-A2247 PolarHBondContact O-N 3.05Å; A2247-G2249 PolarHBondContact O-N 3.02Å; A2247-Q2250 WeakPolarHBondContact O-CA 3.43Å; A2247-Q2250 WeakPolarHBondContact O-CB 3.35Å; A2247-Q2250 PolarHBondContact O-N 2.85Å; A2247-E2251 WeakPolarHBondContact O-CG 3.24Å; A2247-E2251 PolarHBondContact O-N 2.94Å; A2247-R2304 HydrophobicContact CB-CG 4.22Å |
| 2248 | I | 84.4 | Confident | 77.5 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -33.6 | 174.6 | -68.9 | 165.2 | 0 | 0 | 0 | 111 | A2244 E2246 Q2250 E2251 I2252 I2307 R2342 L2345 | A2244-I2248 WeakPolarHBondContact O-CB 3.27Å; A2244-I2248 WeakPolarHBondContact O-CG1 3.3Å; A2244-I2248 PolarHBondContact O-N 2.72Å; E2246-I2248 PolarHBondContact O-N 2.92Å; I2248-Q2250 VanDerWaalsContact C-N 3.32Å; I2248-Q2250 PolarHBondContact O-N 3.03Å; I2248-E2251 PolarHBondContact O-N 3.14Å; I2248-I2252 HydrophobicContact CG2-CD1 3.93Å; I2248-I2252 HydrophobicContact CG2-CG1 4.49Å; I2248-I2252 WeakPolarHBondContact O-CD1 3.46Å; I2248-I2252 VanDerWaalsContact O-CG1 3.29Å; I2248-I2252 WeakPolarHBondContact O-CG1 3.39Å; I2248-I2252 PolarHBondContact O-N 3.37Å; I2248-I2252 VanDerWaalsContact O-N 3.12Å; I2248-I2307 HydrophobicContact CD1-CB 4.39Å; I2248-I2307 HydrophobicContact CD1-CG1 4.25Å; I2248-I2307 HydrophobicContact CG1-CB 4.14Å; I2248-I2307 HydrophobicContact CG1-CG2 4.12Å; I2248-I2307 HydrophobicContact CG2-CG2 3.92Å; I2248-R2342 HydrophobicContact CG2-CB 3.99Å; I2248-R2342 HydrophobicContact CG2-CG 4.34Å; I2248-L2345 HydrophobicContact CD1-CD1 3.59Å |
| 2249 | G | 83.1 | Confident | 76.7 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 6% | 0.062 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.2 | -24.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I2245 E2246 A2247 R2253 | I2245-G2249 PolarHBondContact O-N 3.4Å; E2246-G2249 CarbonylContact O-C 3.6Å; E2246-G2249 WeakPolarHBondContact O-CA 3.38Å; E2246-G2249 PolarHBondContact O-N 3.06Å; A2247-G2249 PolarHBondContact O-N 3.02Å; G2249-R2253 VanDerWaalsContact O-CZ 3.28Å; G2249-R2253 PolarHBondContact O-NH1 3.37Å; G2249-R2253 VanDerWaalsContact O-NH1 3.09Å |
| 2250 | Q | 76.9 | Confident | 76.1 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -79.3 | -45.3 | 172.2 | -65.8 | 177.3 | 9.1 | 0 | 0 | 110.7 | E2246 A2247 I2248 I2252 R2253 A2254 | E2246-Q2250 PolarHBondContact O-N 3.44Å; A2247-Q2250 WeakPolarHBondContact O-CA 3.43Å; A2247-Q2250 WeakPolarHBondContact O-CB 3.35Å; A2247-Q2250 PolarHBondContact O-N 2.85Å; I2248-Q2250 VanDerWaalsContact C-N 3.32Å; I2248-Q2250 PolarHBondContact O-N 3.03Å; Q2250-I2252 PolarHBondContact O-N 2.8Å; Q2250-R2253 WeakPolarHBondContact O-CB 3.24Å; Q2250-R2253 PolarHBondContact O-N 2.77Å; Q2250-A2254 PolarHBondContact O-N 2.77Å; Q2250-A2254 VanDerWaalsContact O-N 3.07Å |
| 2251 | E | 80.9 | Confident | 75.8 | Confident | 61 Ų | 61 | 55.5 Ų | 55.5 | 29% | 0.285 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.9 | -44.2 | 178.7 | -65.9 | -77.2 | -158.1 | 0 | 0 | 112.4 | A2247 I2248 R2253 A2254 Y2255 S2308 L2311 | A2247-E2251 WeakPolarHBondContact O-CG 3.24Å; A2247-E2251 PolarHBondContact O-N 2.94Å; I2248-E2251 PolarHBondContact O-N 3.14Å; E2251-R2253 VanDerWaalsContact C-N 3.25Å; E2251-R2253 PolarHBondContact O-N 2.81Å; E2251-A2254 PolarHBondContact O-N 3.43Å; E2251-A2254 VanDerWaalsContact O-N 3.13Å; E2251-Y2255 WeakPolarHBondContact O-CB 3.35Å; E2251-Y2255 PolarHBondContact O-N 3.05Å; E2251-S2308 VanDerWaalsContact OE1-CB 3.25Å; E2251-S2308 WeakPolarHBondContact OE1-CB 3.47Å; E2251-S2308 PolarHBondContact OE1-OG 3.4Å; E2251-L2311 HydrophobicContact CB-CD1 3.92Å |
| 2252 | I | 84.3 | Confident | 74.7 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 8% | 0.077 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.9 | -35.2 | 175.9 | -67.6 | 165.6 | 0 | 0 | 0 | 111.5 | I2248 Q2250 D2256 L2311 A2338 V2339 | I2248-I2252 HydrophobicContact CG2-CD1 3.93Å; I2248-I2252 HydrophobicContact CG2-CG1 4.49Å; I2248-I2252 WeakPolarHBondContact O-CD1 3.46Å; I2248-I2252 VanDerWaalsContact O-CG1 3.29Å; I2248-I2252 WeakPolarHBondContact O-CG1 3.39Å; I2248-I2252 PolarHBondContact O-N 3.37Å; I2248-I2252 VanDerWaalsContact O-N 3.12Å; Q2250-I2252 PolarHBondContact O-N 2.8Å; I2252-D2256 PolarHBondContact O-N 3.31Å; I2252-L2311 HydrophobicContact CG1-CD1 4.13Å; I2252-A2338 HydrophobicContact CD1-CB 3.94Å; I2252-A2338 HydrophobicContact CG1-CB 3.87Å; I2252-V2339 HydrophobicContact CD1-CG2 4.26Å |
| 2253 | R | 80.4 | Confident | 73.8 | Confident | 151 Ų | 151 | 68.9 Ų | 68.9 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -73.6 | -33.8 | 176.4 | -70.1 | -170.5 | -65.7 | -96.4 | 6.8 | 112.7 | G2249 Q2250 E2251 Y2255 | G2249-R2253 VanDerWaalsContact O-CZ 3.28Å; G2249-R2253 PolarHBondContact O-NH1 3.37Å; G2249-R2253 VanDerWaalsContact O-NH1 3.09Å; Q2250-R2253 WeakPolarHBondContact O-CB 3.24Å; Q2250-R2253 PolarHBondContact O-N 2.77Å; E2251-R2253 VanDerWaalsContact C-N 3.25Å; E2251-R2253 PolarHBondContact O-N 2.81Å; R2253-Y2255 VanDerWaalsContact C-N 3.34Å |
| 2254 | A | 74.5 | Confident | 73 | Confident | 53 Ų | 53 | 73.3 Ų | 73.3 | 44% | 0.438 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.2 | -32.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q2250 E2251 D2256 S2257 R2315 | Q2250-A2254 PolarHBondContact O-N 2.77Å; Q2250-A2254 VanDerWaalsContact O-N 3.07Å; E2251-A2254 PolarHBondContact O-N 3.43Å; E2251-A2254 VanDerWaalsContact O-N 3.13Å; A2254-D2256 VanDerWaalsContact C-N 3.31Å; A2254-D2256 PolarHBondContact O-N 3.4Å; A2254-S2257 WeakPolarHBondContact O-CB 3.42Å; A2254-S2257 PolarHBondContact O-N 3.38Å; A2254-R2315 PolarHBondContact O-NH1 2.9Å |
| 2255 | Y | 80.4 | Confident | 72.2 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 8% | 0.078 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.4 | -29.5 | 175.4 | -176.4 | -101 | 0 | 0 | 0 | 113.5 | E2251 R2253 S2257 L2311 C2314 R2315 L2331 R2335 | E2251-Y2255 WeakPolarHBondContact O-CB 3.35Å; E2251-Y2255 PolarHBondContact O-N 3.05Å; R2253-Y2255 VanDerWaalsContact C-N 3.34Å; Y2255-S2257 PolarHBondContact O-N 3.48Å; Y2255-L2311 HydrophobicContact CD1-CD2 4.15Å; Y2255-L2311 HydrophobicContact CD2-CB 3.74Å; Y2255-L2311 HydrophobicContact CD2-CD2 3.76Å; Y2255-L2311 HydrophobicContact CD2-CG 4.29Å; Y2255-L2311 WeakPolarHBondContact CD2-O 3.12Å; Y2255-L2311 HydrophobicContact CE1-CD2 4.18Å; Y2255-L2311 HydrophobicContact CE2-CB 4.18Å; Y2255-L2311 HydrophobicContact CE2-CD2 3.79Å; Y2255-L2311 WeakPolarHBondContact CE2-O 3.33Å; Y2255-L2311 HydrophobicContact CG-CB 4.37Å; Y2255-L2311 HydrophobicContact CG-CD2 3.89Å; Y2255-C2314 HydrophobicContact CE2-CB 4.12Å; Y2255-C2314 PolarHBondContact OH-SG 2.66Å; Y2255-R2315 HydrophobicContact CD2-CB 4.18Å; Y2255-R2315 HydrophobicContact CE2-CB 4.04Å; Y2255-L2331 HydrophobicContact CE1-CD2 4.28Å; Y2255-L2331 WeakPolarHBondContact CE1-O 3.19Å; Y2255-L2331 HydrophobicContact CE2-CD2 4.07Å; Y2255-L2331 VanDerWaalsContact OH-CA 3.24Å; Y2255-L2331 WeakPolarHBondContact OH-CA 3.47Å; Y2255-L2331 PolarHBondContact OH-O 3.4Å; Y2255-R2335 HydrophobicContact CE1-CB 4.23Å |
| 2256 | D | 75.7 | Confident | 71.5 | Confident | 74 Ų | 74 | 81.2 Ų | 81.2 | 40% | 0.396 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -1.7 | 176.5 | -70.7 | -12.1 | 0 | 0 | 0 | 114 | I2252 A2254 R2335 | I2252-D2256 PolarHBondContact O-N 3.31Å; A2254-D2256 VanDerWaalsContact C-N 3.31Å; A2254-D2256 PolarHBondContact O-N 3.4Å; D2256-R2335 VanDerWaalsContact CG-NH1 3.27Å; D2256-R2335 IonicContact OD1-CZ 2.98Å; D2256-R2335 IonicContact OD1-NH1 3.66Å; D2256-R2335 PolarHBondContact OD1-NH1 3.2Å; D2256-R2335 IonicContact OD1-NH2 3.31Å; D2256-R2335 PolarHBondContact OD1-NH2 3.1Å; D2256-R2335 IonicContact OD2-CZ 3.67Å; D2256-R2335 IonicContact OD2-NH1 3.95Å; D2256-R2335 PolarHBondContact OD2-NH1 3.45Å; D2256-R2335 IonicContact OD2-NH2 3Å; D2256-R2335 PolarHBondContact OD2-NH2 3.26Å |
| 2257 | S | 69.7 | Low | 70.9 | Confident | 39 Ų | 39 | 78.3 Ų | 78.3 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | trans | -71.6 | 139.6 | 174.7 | 170.3 | 0 | 0 | 0 | 0 | 112.3 | A2254 Y2255 E2259 R2315 | A2254-S2257 WeakPolarHBondContact O-CB 3.42Å; A2254-S2257 PolarHBondContact O-N 3.38Å; Y2255-S2257 PolarHBondContact O-N 3.48Å; S2257-E2259 VanDerWaalsContact C-N 3.27Å; S2257-E2259 PolarHBondContact O-N 3.24Å; S2257-E2259 WeakPolarHBondContact OG-CG 3.45Å; S2257-E2259 PolarHBondContact OG-N 3.03Å; S2257-E2259 PolarHBondContact OG-OE2 2.9Å; S2257-R2315 PolarHBondContact O-NH2 2.76Å; S2257-R2315 PolarHBondContact OG-NH2 3.12Å | ||
| 2258 | V | 61.5 | Low | 70.2 | Confident | 126 Ų | 126 | 80.5 Ų | 80.5 | 76% | 0.764 | 40% | 0.396 | S | S | * | . | trans | -76.2 | -11 | 179.8 | -171.3 | 0 | 0 | 0 | 0 | 112.7 | Y2319 | V2258-Y2319 PolarHBondContact O-OH 2.82Å; V2258-Y2319 VanDerWaalsContact O-OH 3.09Å | ||
| 2259 | E | 58.2 | Low | 69.5 | Low | 137 Ų | 137 | 82.6 Ų | 82.6 | 64% | 0.64 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -63.6 | 144 | -175.4 | -62.1 | 159.5 | 136.5 | 0 | 0 | 112.5 | S2257 R2315 | S2257-E2259 VanDerWaalsContact C-N 3.27Å; S2257-E2259 PolarHBondContact O-N 3.24Å; S2257-E2259 WeakPolarHBondContact OG-CG 3.45Å; S2257-E2259 PolarHBondContact OG-N 3.03Å; S2257-E2259 PolarHBondContact OG-OE2 2.9Å; E2259-R2315 PolarHBondContact O-NE 3.46Å; E2259-R2315 PolarHBondContact O-NH2 2.7Å |
| 2260 | Q | 59.1 | Low | 69.4 | Low | 162 Ų | 162 | 82.3 Ų | 82.3 | 76% | 0.757 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 135.7 | 173.8 | -70.7 | -175.5 | -0.4 | 0 | 0 | 110.7 | Q2262 Y2319 | Q2260-Q2262 PolarHBondContact O-N 2.86Å; Q2260-Y2319 HydrophobicContact CG-CD1 4.14Å; Q2260-Y2319 HydrophobicContact CG-CE1 4.04Å |
| 2261 | P | 63.6 | Low | 69.3 | Low | 38 Ų | 38 | 81.9 Ų | 81.9 | 25% | 0.247 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 129.4 | 175.4 | 28.4 | -32.4 | 0 | 0 | 0 | 110.8 | R2263 R2315 A2316 Y2319 | P2261-R2263 PolarHBondContact O-N 3.09Å; P2261-R2315 HydrophobicContact CB-CG 4.34Å; P2261-R2315 HydrophobicContact CG-CG 4.2Å; P2261-A2316 HydrophobicContact CG-CB 4.43Å; P2261-Y2319 HydrophobicContact CG-CD2 4.07Å; P2261-Y2319 HydrophobicContact CG-CG 4.27Å |
| 2262 | Q | 58.3 | Low | 68.7 | Low | 206 Ų | 206 | 82.9 Ų | 82.9 | 96% | 0.963 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -65.6 | -23.8 | 175.2 | -69.1 | -178.1 | -16.7 | 0 | 0 | 113.3 | Q2260 | Q2260-Q2262 PolarHBondContact O-N 2.86Š|
| 2263 | R | 61.3 | Low | 68.5 | Low | 158 Ų | 158 | 83 Ų | 83 | 60% | 0.596 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -92.7 | 125.7 | 178.5 | 179 | 175.4 | 173.5 | -177 | -3.8 | 110.2 | P2261 E2269 A2316 | P2261-R2263 PolarHBondContact O-N 3.09Å; R2263-E2269 IonicContact NH2-OE1 2.71Å; R2263-A2316 VanDerWaalsContact O-CB 3.22Å; R2263-A2316 WeakPolarHBondContact O-CB 3.35Å |
| 2264 | T | 59.1 | Low | 68.5 | Low | 133 Ų | 133 | 76.1 Ų | 76.1 | 82% | 0.816 | 38% | 0.379 | S | S | * | . | trans | -79.7 | 134.9 | 164.1 | 52.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2265 | A | 65.1 | Low | 68.3 | Low | 8 Ų | 8 | 78.1 Ų | 78.1 | 7% | 0.066 | 38% | 0.378 | C | S | . | . | trans | -131.4 | 154.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | E2269 A2316 V2317 | A2265-E2269 WeakPolarHBondContact CA-OE2 3.27Å; A2265-E2269 VanDerWaalsContact CB-OE2 3.27Å; A2265-E2269 WeakPolarHBondContact CB-OE2 3.25Å; A2265-A2316 HydrophobicContact CB-CB 3.4Å; A2265-A2316 VanDerWaalsContact CB-CB 3.4Å; A2265-V2317 HydrophobicContact CB-CG2 3.93Å | ||
| 2266 | R | 68.4 | Low | 68.3 | Low | 179 Ų | 179 | 79 Ų | 79 | 68% | 0.675 | 39% | 0.386 | S | S | * | . | trans | -100.5 | 152.8 | -179.1 | -52.9 | -173.8 | 177.5 | 179.3 | -0.2 | 112.5 | E2268 E2269 L2270 V2317 | R2266-E2268 WeakPolarHBondContact CB-OE2 3.47Å; R2266-E2268 PolarHBondContact O-N 3.33Å; R2266-E2268 VanDerWaalsContact O-N 3.07Å; R2266-E2269 PolarHBondContact N-OE2 2.94Å; R2266-E2269 WeakPolarHBondContact O-CB 3.36Å; R2266-E2269 PolarHBondContact O-N 2.96Å; R2266-L2270 PolarHBondContact O-N 2.98Å; R2266-V2317 VanDerWaalsContact C-CG2 3.41Å; R2266-V2317 VanDerWaalsContact O-CG2 3.24Å; R2266-V2317 WeakPolarHBondContact O-CG2 3.38Å | ||
| 2267 | P | 67.2 | Low | 68.6 | Low | 18 Ų | 18 | 75.6 Ų | 75.6 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -51.7 | -31.2 | 175.3 | -27.8 | 35.7 | 0 | 0 | 0 | 114.4 | E2269 L2270 I2271 V2317 V2381 L2384 K2385 | P2267-E2269 VanDerWaalsContact C-N 3.35Å; P2267-L2270 PolarHBondContact O-N 3.24Å; P2267-I2271 PolarHBondContact O-N 3.36Å; P2267-V2317 HydrophobicContact CB-CG1 4.33Å; P2267-V2317 HydrophobicContact CG-CG1 4.1Å; P2267-V2381 HydrophobicContact CB-CG1 3.77Å; P2267-V2381 WeakPolarHBondContact O-CG1 3.25Å; P2267-L2384 HydrophobicContact CG-CB 4.32Å; P2267-K2385 HydrophobicContact CB-CG 3.94Å |
| 2268 | E | 63.1 | Low | 69.2 | Low | 56 Ų | 56 | 77.9 Ų | 77.9 | 26% | 0.262 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.3 | -32.9 | 175.7 | -57.7 | 73.9 | -157.2 | 0 | 0 | 112.8 | R2266 L2270 R2272 W2389 | R2266-E2268 WeakPolarHBondContact CB-OE2 3.47Å; R2266-E2268 PolarHBondContact O-N 3.33Å; R2266-E2268 VanDerWaalsContact O-N 3.07Å; E2268-L2270 VanDerWaalsContact C-N 3.32Å; E2268-R2272 WeakPolarHBondContact O-CB 3.45Å; E2268-R2272 PolarHBondContact O-N 3.41Å; E2268-W2389 PolarHBondContact OE1-NE1 2.9Å |
| 2269 | E | 69.6 | Low | 70 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 21% | 0.21 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.2 | -35 | 176.6 | -63.5 | -174.5 | 124.8 | 0 | 0 | 111.2 | R2263 A2265 R2266 P2267 R2272 V2273 | R2263-E2269 IonicContact NH2-OE1 2.71Å; A2265-E2269 WeakPolarHBondContact CA-OE2 3.27Å; A2265-E2269 VanDerWaalsContact CB-OE2 3.27Å; A2265-E2269 WeakPolarHBondContact CB-OE2 3.25Å; R2266-E2269 PolarHBondContact N-OE2 2.94Å; R2266-E2269 WeakPolarHBondContact O-CB 3.36Å; R2266-E2269 PolarHBondContact O-N 2.96Å; P2267-E2269 VanDerWaalsContact C-N 3.35Å; E2269-R2272 WeakPolarHBondContact O-CB 3.27Å; E2269-R2272 PolarHBondContact O-N 3.12Å; E2269-V2273 VanDerWaalsContact O-CG2 3.31Å; E2269-V2273 WeakPolarHBondContact O-CG2 3.35Å; E2269-V2273 PolarHBondContact O-N 3.48Å; E2269-V2273 VanDerWaalsContact O-N 3.12Å |
| 2270 | L | 80.4 | Confident | 71.1 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.1 | -45.7 | 177.5 | -177.6 | 54.5 | 0 | 0 | 0 | 112.2 | R2266 P2267 E2268 R2272 V2273 T2274 L2310 C2313 C2314 V2317 V2381 | R2266-L2270 PolarHBondContact O-N 2.98Å; P2267-L2270 PolarHBondContact O-N 3.24Å; E2268-L2270 VanDerWaalsContact C-N 3.32Å; L2270-R2272 VanDerWaalsContact C-N 3.3Å; L2270-R2272 PolarHBondContact O-N 3.44Å; L2270-V2273 PolarHBondContact O-N 2.89Å; L2270-T2274 WeakPolarHBondContact O-CG2 3.2Å; L2270-T2274 PolarHBondContact O-N 2.65Å; L2270-L2310 HydrophobicContact CD1-CD1 3.89Å; L2270-C2313 HydrophobicContact CD1-CB 4.25Å; L2270-C2314 HydrophobicContact CD1-CB 3.72Å; L2270-C2314 HydrophobicContact CD2-CB 4.26Å; L2270-V2317 HydrophobicContact CB-CG2 4.06Å; L2270-V2317 HydrophobicContact CD2-CB 4.04Å; L2270-V2317 HydrophobicContact CD2-CG1 4.03Å; L2270-V2317 HydrophobicContact CD2-CG2 4.44Å; L2270-V2381 HydrophobicContact CB-CG1 4.39Å; L2270-V2381 HydrophobicContact CB-CG2 4.46Å; L2270-V2381 HydrophobicContact CD2-CB 4.5Å; L2270-V2381 HydrophobicContact CD2-CG1 4.28Å; L2270-V2381 HydrophobicContact CD2-CG2 3.35Å; L2270-V2381 HydrophobicContact CG-CG2 3.75Å |
| 2271 | I | 75.5 | Confident | 72.3 | Confident | 41 Ų | 41 | 63 Ų | 63 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 173.6 | -66.2 | 172.3 | 0 | 0 | 0 | 111 | P2267 V2273 T2274 V2381 | P2267-I2271 PolarHBondContact O-N 3.36Å; I2271-V2273 VanDerWaalsContact C-N 3.26Å; I2271-V2273 PolarHBondContact O-N 3.09Å; I2271-T2274 PolarHBondContact O-N 3.31Å; I2271-T2274 VanDerWaalsContact O-N 3.09Å; I2271-T2274 PolarHBondContact O-OG1 3.18Å; I2271-V2381 HydrophobicContact CD1-CB 4.27Å; I2271-V2381 HydrophobicContact CD1-CG1 3.94Å; I2271-V2381 HydrophobicContact CG1-CB 4.01Å; I2271-V2381 HydrophobicContact CG1-CG1 3.75Å |
| 2272 | R | 67.5 | Low | 73.2 | Confident | 82 Ų | 82 | 64 Ų | 64 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.4 | -40.7 | 173.7 | 154.7 | -174.1 | -51.3 | -170.7 | 5.4 | 112.6 | E2268 E2269 L2270 T2274 P2276 Q2482 | E2268-R2272 WeakPolarHBondContact O-CB 3.45Å; E2268-R2272 PolarHBondContact O-N 3.41Å; E2269-R2272 WeakPolarHBondContact O-CB 3.27Å; E2269-R2272 PolarHBondContact O-N 3.12Å; L2270-R2272 VanDerWaalsContact C-N 3.3Å; L2270-R2272 PolarHBondContact O-N 3.44Å; R2272-T2274 VanDerWaalsContact C-N 3.3Å; R2272-T2274 PolarHBondContact O-N 3.37Å; R2272-P2276 WeakPolarHBondContact O-CD 3.06Å; R2272-Q2482 VanDerWaalsContact CD-NE2 3.35Å; R2272-Q2482 VanDerWaalsContact CG-OE1 3.27Å |
| 2273 | V | 79.2 | Confident | 74.4 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -77.2 | -13.9 | -179.5 | 178.2 | 0 | 0 | 0 | 0 | 112.8 | E2269 L2270 I2271 P2276 D2309 L2310 | E2269-V2273 VanDerWaalsContact O-CG2 3.31Å; E2269-V2273 WeakPolarHBondContact O-CG2 3.35Å; E2269-V2273 PolarHBondContact O-N 3.48Å; E2269-V2273 VanDerWaalsContact O-N 3.12Å; L2270-V2273 PolarHBondContact O-N 2.89Å; I2271-V2273 VanDerWaalsContact C-N 3.26Å; I2271-V2273 PolarHBondContact O-N 3.09Å; V2273-P2276 WeakPolarHBondContact O-CD 3.32Å; V2273-D2309 HydrophobicContact CG1-CB 3.8Å; V2273-D2309 HydrophobicContact CG2-CB 4.22Å; V2273-L2310 HydrophobicContact CG1-CB 3.84Å; V2273-L2310 HydrophobicContact CG1-CD1 4.09Å |
| 2274 | T | 81.2 | Confident | 75.5 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -75.1 | -31.8 | 175.7 | 72 | 0 | 0 | 0 | 0 | 114.2 | L2270 I2271 R2272 I2277 L2310 V2374 L2377 V2378 | L2270-T2274 WeakPolarHBondContact O-CG2 3.2Å; L2270-T2274 PolarHBondContact O-N 2.65Å; I2271-T2274 PolarHBondContact O-N 3.31Å; I2271-T2274 VanDerWaalsContact O-N 3.09Å; I2271-T2274 PolarHBondContact O-OG1 3.18Å; R2272-T2274 VanDerWaalsContact C-N 3.3Å; R2272-T2274 PolarHBondContact O-N 3.37Å; T2274-I2277 VanDerWaalsContact O-CB 3.28Å; T2274-I2277 WeakPolarHBondContact O-CB 3.48Å; T2274-I2277 PolarHBondContact O-N 3.35Å; T2274-I2277 VanDerWaalsContact O-N 3.12Å; T2274-L2310 HydrophobicContact CG2-CD1 4.38Å; T2274-V2374 HydrophobicContact CG2-CG1 4.44Å; T2274-L2377 HydrophobicContact CG2-CD2 4Å; T2274-V2378 HydrophobicContact CG2-CG2 4.05Å |
| 2275 | K | 71.4 | Confident | 76.7 | Confident | 94 Ų | 94 | 46.5 Ų | 46.5 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.2 | -47 | 177.7 | -74.2 | -169.4 | -172.7 | -175.4 | 0 | 112.8 | I2277 T2278 D2279 Q2477 D2479 | K2275-I2277 PolarHBondContact O-N 3.04Å; K2275-T2278 VanDerWaalsContact O-CB 3.29Å; K2275-T2278 WeakPolarHBondContact O-CB 3.48Å; K2275-T2278 PolarHBondContact O-N 3.47Å; K2275-T2278 PolarHBondContact O-OG1 2.8Å; K2275-D2279 PolarHBondContact O-N 3.06Å; K2275-Q2477 PolarHBondContact NZ-O 3.35Å; K2275-D2479 WeakPolarHBondContact CD-OD1 3.39Å; K2275-D2479 IonicContact NZ-OD1 3.44Å; K2275-D2479 PolarHBondContact NZ-OD1 3.23Å; K2275-D2479 IonicContact NZ-OD2 2.8Å |
| 2276 | P | 78.6 | Confident | 77.5 | Confident | 40 Ų | 40 | 48.4 Ų | 48.4 | 26% | 0.26 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.2 | -20.5 | 173.4 | -29.2 | 35.7 | 0 | 0 | 0 | 115.5 | R2272 V2273 D2279 A2280 V2306 | R2272-P2276 WeakPolarHBondContact O-CD 3.06Å; V2273-P2276 WeakPolarHBondContact O-CD 3.32Å; P2276-D2279 PolarHBondContact O-N 3.3Å; P2276-A2280 WeakPolarHBondContact O-CB 3.48Å; P2276-A2280 PolarHBondContact O-N 3.01Å; P2276-V2306 HydrophobicContact CB-CB 4.3Å; P2276-V2306 HydrophobicContact CB-CG1 3.86Å; P2276-V2306 HydrophobicContact CB-CG2 3.39Å |
| 2277 | I | 83.9 | Confident | 78.2 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.5 | -37.4 | 174.3 | -57.3 | 172.3 | 0 | 0 | 0 | 110.2 | T2274 K2275 D2279 A2280 T2281 V2306 L2310 V2337 V2341 I2370 V2374 | T2274-I2277 VanDerWaalsContact O-CB 3.28Å; T2274-I2277 WeakPolarHBondContact O-CB 3.48Å; T2274-I2277 PolarHBondContact O-N 3.35Å; T2274-I2277 VanDerWaalsContact O-N 3.12Å; K2275-I2277 PolarHBondContact O-N 3.04Å; I2277-D2279 VanDerWaalsContact C-N 3.34Å; I2277-A2280 PolarHBondContact O-N 3.12Å; I2277-T2281 VanDerWaalsContact O-CB 3.25Å; I2277-T2281 WeakPolarHBondContact O-CB 3.43Å; I2277-T2281 PolarHBondContact O-N 3.5Å; I2277-T2281 PolarHBondContact O-OG1 3.45Å; I2277-V2306 HydrophobicContact CB-CG1 4.24Å; I2277-V2306 HydrophobicContact CD1-CG1 4.43Å; I2277-V2306 HydrophobicContact CG1-CG1 3.32Å; I2277-L2310 HydrophobicContact CD1-CD1 3.95Å; I2277-L2310 HydrophobicContact CD1-CD2 3.72Å; I2277-L2310 HydrophobicContact CD1-CG 4.33Å; I2277-V2337 HydrophobicContact CD1-CG1 3.58Å; I2277-V2337 HydrophobicContact CG2-CG1 4.44Å; I2277-V2341 HydrophobicContact CG2-CG2 3.86Å; I2277-I2370 HydrophobicContact CG2-CG2 3.6Å; I2277-V2374 HydrophobicContact CB-CG2 4.24Å; I2277-V2374 HydrophobicContact CD1-CG2 4.06Å; I2277-V2374 HydrophobicContact CG2-CG2 3.9Å |
| 2278 | T | 81.4 | Confident | 78.8 | Confident | 88 Ų | 88 | 39 Ų | 39 | 54% | 0.54 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 174.1 | -46.5 | 0 | 0 | 0 | 0 | 110.4 | K2275 T2281 A2282 | K2275-T2278 VanDerWaalsContact O-CB 3.29Å; K2275-T2278 WeakPolarHBondContact O-CB 3.48Å; K2275-T2278 PolarHBondContact O-N 3.47Å; K2275-T2278 PolarHBondContact O-OG1 2.8Å; T2278-T2281 PolarHBondContact O-N 2.96Å; T2278-A2282 WeakPolarHBondContact O-CB 3.44Å; T2278-A2282 PolarHBondContact O-N 3.33Å |
| 2279 | D | 78.7 | Confident | 79.6 | Confident | 97 Ų | 97 | 42.2 Ų | 42.2 | 52% | 0.519 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 175.3 | -68.4 | -21.8 | 0 | 0 | 0 | 112.8 | K2275 P2276 I2277 T2281 A2282 K2283 L2302 | K2275-D2279 PolarHBondContact O-N 3.06Å; P2276-D2279 PolarHBondContact O-N 3.3Å; I2277-D2279 VanDerWaalsContact C-N 3.34Å; D2279-T2281 VanDerWaalsContact C-N 3.29Å; D2279-T2281 PolarHBondContact O-N 3.29Å; D2279-A2282 PolarHBondContact O-N 2.99Å; D2279-K2283 WeakPolarHBondContact O-CB 3.46Å; D2279-K2283 PolarHBondContact O-N 3.49Å; D2279-L2302 HydrophobicContact CB-CD2 4.21Å |
| 2280 | A | 80.2 | Confident | 80.2 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | P2276 I2277 A2284 L2302 A2303 | P2276-A2280 WeakPolarHBondContact O-CB 3.48Å; P2276-A2280 PolarHBondContact O-N 3.01Å; I2277-A2280 PolarHBondContact O-N 3.12Å; A2280-A2284 VanDerWaalsContact O-CB 3.24Å; A2280-A2284 WeakPolarHBondContact O-CB 3.46Å; A2280-A2284 PolarHBondContact O-N 3.4Å; A2280-L2302 HydrophobicContact CB-CD2 4.24Å; A2280-L2302 HydrophobicContact CB-CG 4.03Å; A2280-A2303 HydrophobicContact CB-CB 4.35Å |
| 2281 | T | 85 | Confident | 79.9 | Confident | 13 Ų | 13 | 44 Ų | 44 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -45.6 | 176 | -58.7 | 0 | 0 | 0 | 0 | 111 | I2277 T2278 D2279 A2284 V2285 L2344 I2370 | I2277-T2281 VanDerWaalsContact O-CB 3.25Å; I2277-T2281 WeakPolarHBondContact O-CB 3.43Å; I2277-T2281 PolarHBondContact O-N 3.5Å; I2277-T2281 PolarHBondContact O-OG1 3.45Å; T2278-T2281 PolarHBondContact O-N 2.96Å; D2279-T2281 VanDerWaalsContact C-N 3.29Å; D2279-T2281 PolarHBondContact O-N 3.29Å; T2281-A2284 PolarHBondContact O-N 3.07Å; T2281-V2285 VanDerWaalsContact O-CG2 3.29Å; T2281-V2285 WeakPolarHBondContact O-CG2 3.49Å; T2281-V2285 PolarHBondContact O-N 3.39Å; T2281-L2344 HydrophobicContact CG2-CD2 3.98Å; T2281-I2370 HydrophobicContact CG2-CD1 4.23Å |
| 2282 | A | 83.4 | Confident | 80 | Confident | 59 Ų | 59 | 47.6 Ų | 47.6 | 49% | 0.488 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T2278 D2279 V2285 A2286 | T2278-A2282 WeakPolarHBondContact O-CB 3.44Å; T2278-A2282 PolarHBondContact O-N 3.33Å; D2279-A2282 PolarHBondContact O-N 2.99Å; A2282-V2285 PolarHBondContact O-N 2.96Å; A2282-A2286 WeakPolarHBondContact O-CB 3.44Å; A2282-A2286 PolarHBondContact O-N 3.13Å |
| 2283 | K | 83.1 | Confident | 80.4 | Confident | 108 Ų | 108 | 45.7 Ų | 45.7 | 47% | 0.47 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 175.3 | -73.3 | -166 | -174.8 | -178.6 | 0 | 112.7 | D2279 V2285 A2286 A2287 A2299 L2302 | D2279-K2283 WeakPolarHBondContact O-CB 3.46Å; D2279-K2283 PolarHBondContact O-N 3.49Å; K2283-V2285 PolarHBondContact O-N 3.12Å; K2283-A2286 PolarHBondContact O-N 3.06Å; K2283-A2287 VanDerWaalsContact O-CB 3.31Å; K2283-A2287 WeakPolarHBondContact O-CB 3.49Å; K2283-A2287 PolarHBondContact O-N 3.2Å; K2283-A2299 HydrophobicContact CB-CB 4.31Å; K2283-L2302 HydrophobicContact CD-CD2 3.81Å; K2283-L2302 HydrophobicContact CG-CD2 4.47Å |
| 2284 | A | 83.4 | Confident | 80.1 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A2280 T2281 G2288 A2299 L2344 L2348 M2363 | A2280-A2284 VanDerWaalsContact O-CB 3.24Å; A2280-A2284 WeakPolarHBondContact O-CB 3.46Å; A2280-A2284 PolarHBondContact O-N 3.4Å; T2281-A2284 PolarHBondContact O-N 3.07Å; A2284-G2288 PolarHBondContact O-N 2.97Å; A2284-A2299 HydrophobicContact CB-CB 4.28Å; A2284-L2344 HydrophobicContact CB-CD2 3.84Å; A2284-L2344 HydrophobicContact CB-CG 4.36Å; A2284-L2348 HydrophobicContact CB-CD2 4.46Å; A2284-M2363 VanDerWaalsContact O-CE 3.29Å; A2284-M2363 WeakPolarHBondContact O-CE 3.48Å |
| 2285 | V | 84.9 | Confident | 80.1 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 12% | 0.121 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 173.3 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | T2281 A2282 K2283 G2288 Q2289 M2363 | T2281-V2285 VanDerWaalsContact O-CG2 3.29Å; T2281-V2285 WeakPolarHBondContact O-CG2 3.49Å; T2281-V2285 PolarHBondContact O-N 3.39Å; A2282-V2285 PolarHBondContact O-N 2.96Å; K2283-V2285 PolarHBondContact O-N 3.12Å; V2285-G2288 PolarHBondContact O-N 3.5Å; V2285-Q2289 WeakPolarHBondContact O-CG 3.37Å; V2285-Q2289 PolarHBondContact O-N 3.49Å; V2285-Q2289 VanDerWaalsContact O-N 3.07Å; V2285-M2363 HydrophobicContact CG2-CB 4.38Å |
| 2286 | A | 82.6 | Confident | 80.5 | Confident | 47 Ų | 47 | 47.1 Ų | 47.1 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A2282 K2283 G2288 Q2289 S2290 | A2282-A2286 WeakPolarHBondContact O-CB 3.44Å; A2282-A2286 PolarHBondContact O-N 3.13Å; K2283-A2286 PolarHBondContact O-N 3.06Å; A2286-G2288 VanDerWaalsContact C-N 3.28Å; A2286-G2288 PolarHBondContact O-N 3.47Å; A2286-Q2289 WeakPolarHBondContact O-CA 3.31Å; A2286-Q2289 WeakPolarHBondContact O-CB 3.33Å; A2286-Q2289 PolarHBondContact O-N 3.25Å; A2286-S2290 PolarHBondContact O-N 3.42Å; A2286-S2290 PolarHBondContact O-OG 3.14Å |
| 2287 | A | 82.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.7 | -36.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K2283 Q2289 S2290 C2291 D2295 V2296 A2299 L2348 | K2283-A2287 VanDerWaalsContact O-CB 3.31Å; K2283-A2287 WeakPolarHBondContact O-CB 3.49Å; K2283-A2287 PolarHBondContact O-N 3.2Å; A2287-Q2289 VanDerWaalsContact C-N 3.35Å; A2287-S2290 PolarHBondContact O-OG 3.26Å; A2287-C2291 WeakPolarHBondContact O-CA 3.36Å; A2287-C2291 PolarHBondContact O-N 2.94Å; A2287-D2295 HydrophobicContact CB-CB 3.78Å; A2287-V2296 HydrophobicContact CB-CG2 3.99Å; A2287-A2299 HydrophobicContact CB-CB 4.1Å; A2287-L2348 HydrophobicContact CB-CD1 4.47Å; A2287-L2348 HydrophobicContact CB-CD2 4.41Å |
| 2288 | G | 78.8 | Confident | 80.1 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.8 | -21 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A2284 V2285 A2286 | A2284-G2288 PolarHBondContact O-N 2.97Å; V2285-G2288 PolarHBondContact O-N 3.5Å; A2286-G2288 VanDerWaalsContact C-N 3.28Å; A2286-G2288 PolarHBondContact O-N 3.47Å |
| 2289 | Q | 80.5 | Confident | 80.1 | Confident | 123 Ų | 123 | 42.1 Ų | 42.1 | 58% | 0.575 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -83.2 | -42.5 | 172.1 | -71 | 177.1 | 15.2 | 0 | 0 | 111.9 | V2285 A2286 A2287 R2360 | V2285-Q2289 WeakPolarHBondContact O-CG 3.37Å; V2285-Q2289 PolarHBondContact O-N 3.49Å; V2285-Q2289 VanDerWaalsContact O-N 3.07Å; A2286-Q2289 WeakPolarHBondContact O-CA 3.31Å; A2286-Q2289 WeakPolarHBondContact O-CB 3.33Å; A2286-Q2289 PolarHBondContact O-N 3.25Å; A2287-Q2289 VanDerWaalsContact C-N 3.35Å; Q2289-R2360 PolarHBondContact O-NH1 2.93Å |
| 2290 | S | 81.7 | Confident | 80.3 | Confident | 46 Ų | 46 | 37.5 Ų | 37.5 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -76.6 | -33.6 | -179.7 | 73.5 | 0 | 0 | 0 | 0 | 112.9 | A2286 A2287 Q2292 D2295 | A2286-S2290 PolarHBondContact O-N 3.42Å; A2286-S2290 PolarHBondContact O-OG 3.14Å; A2287-S2290 PolarHBondContact O-OG 3.26Å; S2290-Q2292 PolarHBondContact O-N 2.99Å; S2290-Q2292 PolarHBondContact OG-N 3.43Å; S2290-D2295 VanDerWaalsContact CB-OD2 3.24Å; S2290-D2295 WeakPolarHBondContact CB-OD2 3.42Å; S2290-D2295 PolarHBondContact OG-OD2 3.5Å |
| 2291 | C | 74.1 | Confident | 80.3 | Confident | 37 Ų | 37 | 39.6 Ų | 39.6 | 25% | 0.25 | 22% | 0.223 | C | C | . | . | trans | 54.5 | 20 | -168.4 | -59.6 | 0 | 0 | 0 | 0 | 114.2 | A2287 R2360 | A2287-C2291 WeakPolarHBondContact O-CA 3.36Å; A2287-C2291 PolarHBondContact O-N 2.94Å; C2291-R2360 PolarHBondContact SG-NH2 3.48Å | ||
| 2292 | Q | 78.4 | Confident | 80.2 | Confident | 116 Ų | 116 | 40 Ų | 40 | 54% | 0.542 | 23% | 0.225 | S | C | . | . | trans | -77.9 | 135 | 176.5 | -65.8 | -175.6 | 5.3 | 0 | 0 | 110 | S2290 D2294 D2295 V2296 | S2290-Q2292 PolarHBondContact O-N 2.99Å; S2290-Q2292 PolarHBondContact OG-N 3.43Å; Q2292-D2294 VanDerWaalsContact C-N 3.32Å; Q2292-D2294 PolarHBondContact O-N 2.98Å; Q2292-D2295 HydrophobicContact CB-CB 4.31Å; Q2292-D2295 PolarHBondContact O-N 3.14Å; Q2292-V2296 WeakPolarHBondContact O-CG2 3.37Å; Q2292-V2296 PolarHBondContact O-N 2.98Å | ||
| 2293 | Q | 76.1 | Confident | 80.2 | Confident | 41 Ų | 41 | 37.3 Ų | 37.3 | 19% | 0.192 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.3 | -36.9 | -175.2 | -65.3 | -65.2 | -57.8 | 0 | 0 | 111.9 | G2237 V2296 I2297 | G2237-Q2293 VanDerWaalsContact CA-OE1 3.22Å; Q2293-V2296 WeakPolarHBondContact O-CB 3.49Å; Q2293-V2296 PolarHBondContact O-N 2.9Å; Q2293-I2297 VanDerWaalsContact O-CG1 3.31Å; Q2293-I2297 WeakPolarHBondContact O-CG1 3.36Å; Q2293-I2297 PolarHBondContact O-N 3.47Å |
| 2294 | D | 72.9 | Confident | 80.2 | Confident | 88 Ų | 88 | 35.3 Ų | 35.3 | 47% | 0.471 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.9 | -42.9 | 178.4 | -57.5 | -45.5 | 0 | 0 | 0 | 112.2 | R2236 Q2292 V2296 I2297 A2298 | R2236-D2294 IonicContact NH1-OD1 2.78Å; Q2292-D2294 VanDerWaalsContact C-N 3.32Å; Q2292-D2294 PolarHBondContact O-N 2.98Å; D2294-V2296 PolarHBondContact O-N 2.92Å; D2294-I2297 PolarHBondContact O-N 3.46Å; D2294-I2297 VanDerWaalsContact O-N 3.12Å; D2294-A2298 WeakPolarHBondContact O-CB 3.39Å; D2294-A2298 PolarHBondContact O-N 3.49Å |
| 2295 | D | 79.4 | Confident | 80.2 | Confident | 61 Ų | 61 | 42.6 Ų | 42.6 | 33% | 0.326 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.7 | -38.8 | 172.7 | -74.6 | -24.3 | 0 | 0 | 0 | 111.7 | A2287 S2290 Q2292 A2298 A2299 | A2287-D2295 HydrophobicContact CB-CB 3.78Å; S2290-D2295 VanDerWaalsContact CB-OD2 3.24Å; S2290-D2295 WeakPolarHBondContact CB-OD2 3.42Å; S2290-D2295 PolarHBondContact OG-OD2 3.5Å; Q2292-D2295 HydrophobicContact CB-CB 4.31Å; Q2292-D2295 PolarHBondContact O-N 3.14Å; D2295-A2298 PolarHBondContact O-N 2.89Å; D2295-A2299 VanDerWaalsContact O-CB 3.28Å; D2295-A2299 WeakPolarHBondContact O-CB 2.93Å; D2295-A2299 PolarHBondContact O-N 3.37Å |
| 2296 | V | 81.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.2 | -40.7 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | G2237 L2241 A2287 Q2292 Q2293 D2294 A2299 A2300 L2352 | G2237-V2296 VanDerWaalsContact O-CG1 3.29Å; G2237-V2296 WeakPolarHBondContact O-CG1 3.42Å; L2241-V2296 HydrophobicContact CB-CG1 4.01Å; L2241-V2296 HydrophobicContact CD2-CG1 4.26Å; A2287-V2296 HydrophobicContact CB-CG2 3.99Å; Q2292-V2296 WeakPolarHBondContact O-CG2 3.37Å; Q2292-V2296 PolarHBondContact O-N 2.98Å; Q2293-V2296 WeakPolarHBondContact O-CB 3.49Å; Q2293-V2296 PolarHBondContact O-N 2.9Å; D2294-V2296 PolarHBondContact O-N 2.92Å; V2296-A2299 PolarHBondContact O-N 2.92Å; V2296-A2300 VanDerWaalsContact O-CB 3.24Å; V2296-A2300 WeakPolarHBondContact O-CB 3.46Å; V2296-A2300 PolarHBondContact O-N 3.32Å; V2296-L2352 HydrophobicContact CG1-CD1 3.79Å; V2296-L2352 HydrophobicContact CG2-CD1 3.94Å; V2296-L2352 HydrophobicContact CG2-CD2 3.96Å; V2296-L2352 HydrophobicContact CG2-CG 4.5Å |
| 2297 | I | 76 | Confident | 80.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | 175 | -64.1 | 164 | 0 | 0 | 0 | 110 | L2174 R2236 A2240 Q2293 D2294 A2299 A2300 N2301 | L2174-I2297 HydrophobicContact CD1-CG2 4.45Å; R2236-I2297 HydrophobicContact CB-CD1 4.17Å; R2236-I2297 HydrophobicContact CG-CD1 3.63Å; A2240-I2297 HydrophobicContact CB-CG1 4.12Å; Q2293-I2297 VanDerWaalsContact O-CG1 3.31Å; Q2293-I2297 WeakPolarHBondContact O-CG1 3.36Å; Q2293-I2297 PolarHBondContact O-N 3.47Å; D2294-I2297 PolarHBondContact O-N 3.46Å; D2294-I2297 VanDerWaalsContact O-N 3.12Å; I2297-A2299 VanDerWaalsContact C-N 3.33Å; I2297-A2299 PolarHBondContact O-N 2.71Å; I2297-A2300 PolarHBondContact O-N 2.81Å; I2297-N2301 WeakPolarHBondContact CG2-ND2 3.3Å; I2297-N2301 WeakPolarHBondContact O-CB 3.48Å; I2297-N2301 PolarHBondContact O-N 3.42Å; I2297-N2301 PolarHBondContact O-ND2 3Å |
| 2298 | A | 77.9 | Confident | 80.5 | Confident | 23 Ų | 23 | 41.7 Ų | 41.7 | 19% | 0.19 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D2294 D2295 L2302 | D2294-A2298 WeakPolarHBondContact O-CB 3.39Å; D2294-A2298 PolarHBondContact O-N 3.49Å; D2295-A2298 PolarHBondContact O-N 2.89Å; A2298-L2302 VanDerWaalsContact O-CB 3.25Å; A2298-L2302 WeakPolarHBondContact O-CB 3.41Å; A2298-L2302 PolarHBondContact O-N 3.26Å; A2298-L2302 VanDerWaalsContact O-N 3.14Å |
| 2299 | A | 82 | Confident | 80.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.8 | -45.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K2283 A2284 A2287 D2295 V2296 I2297 L2302 A2303 | K2283-A2299 HydrophobicContact CB-CB 4.31Å; A2284-A2299 HydrophobicContact CB-CB 4.28Å; A2287-A2299 HydrophobicContact CB-CB 4.1Å; D2295-A2299 VanDerWaalsContact O-CB 3.28Å; D2295-A2299 WeakPolarHBondContact O-CB 2.93Å; D2295-A2299 PolarHBondContact O-N 3.37Å; V2296-A2299 PolarHBondContact O-N 2.92Å; I2297-A2299 VanDerWaalsContact C-N 3.33Å; I2297-A2299 PolarHBondContact O-N 2.71Å; A2299-L2302 PolarHBondContact O-N 3.45Å; A2299-A2303 VanDerWaalsContact O-CB 3.29Å; A2299-A2303 WeakPolarHBondContact O-CB 3.41Å; A2299-A2303 PolarHBondContact O-N 3.48Å |
| 2300 | A | 82.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L2241 A2244 V2296 I2297 R2304 | L2241-A2300 HydrophobicContact CB-CB 4.48Å; L2241-A2300 HydrophobicContact CD1-CB 4.29Å; A2244-A2300 HydrophobicContact CB-CB 3.93Å; V2296-A2300 VanDerWaalsContact O-CB 3.24Å; V2296-A2300 WeakPolarHBondContact O-CB 3.46Å; V2296-A2300 PolarHBondContact O-N 3.32Å; I2297-A2300 PolarHBondContact O-N 2.81Å; A2300-R2304 WeakPolarHBondContact O-CB 3.48Å; A2300-R2304 PolarHBondContact O-N 3.29Å |
| 2301 | N | 79.8 | Confident | 81.4 | Confident | 47 Ų | 47 | 37.5 Ų | 37.5 | 25% | 0.251 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.5 | -75 | -27.6 | 0 | 0 | 0 | 112 | I2297 R2305 | I2297-N2301 WeakPolarHBondContact CG2-ND2 3.3Å; I2297-N2301 WeakPolarHBondContact O-CB 3.48Å; I2297-N2301 PolarHBondContact O-N 3.42Å; I2297-N2301 PolarHBondContact O-ND2 3Å; N2301-R2305 PolarHBondContact O-N 3.04Å; N2301-R2305 VanDerWaalsContact O-N 3.14Å |
| 2302 | L | 82.6 | Confident | 81.9 | Confident | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.12 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.8 | -47 | 177.8 | -176.6 | 60.4 | 0 | 0 | 0 | 111.3 | D2279 A2280 K2283 A2298 A2299 R2304 R2305 V2306 | D2279-L2302 HydrophobicContact CB-CD2 4.21Å; A2280-L2302 HydrophobicContact CB-CD2 4.24Å; A2280-L2302 HydrophobicContact CB-CG 4.03Å; K2283-L2302 HydrophobicContact CD-CD2 3.81Å; K2283-L2302 HydrophobicContact CG-CD2 4.47Å; A2298-L2302 VanDerWaalsContact O-CB 3.25Å; A2298-L2302 WeakPolarHBondContact O-CB 3.41Å; A2298-L2302 PolarHBondContact O-N 3.26Å; A2298-L2302 VanDerWaalsContact O-N 3.14Å; A2299-L2302 PolarHBondContact O-N 3.45Å; L2302-R2304 VanDerWaalsContact C-N 3.34Å; L2302-R2304 PolarHBondContact O-N 3.12Å; L2302-R2305 PolarHBondContact O-N 3.22Å; L2302-V2306 HydrophobicContact CD1-CG2 3.87Å; L2302-V2306 HydrophobicContact CG-CG2 4.32Å; L2302-V2306 WeakPolarHBondContact O-CB 3.4Å; L2302-V2306 WeakPolarHBondContact O-CG2 3.42Å; L2302-V2306 PolarHBondContact O-N 2.79Å |
| 2303 | A | 84 | Confident | 82.2 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2280 A2299 I2307 V2341 L2345 | A2280-A2303 HydrophobicContact CB-CB 4.35Å; A2299-A2303 VanDerWaalsContact O-CB 3.29Å; A2299-A2303 WeakPolarHBondContact O-CB 3.41Å; A2299-A2303 PolarHBondContact O-N 3.48Å; A2303-I2307 WeakPolarHBondContact O-CG1 3.33Å; A2303-I2307 PolarHBondContact O-N 3Å; A2303-I2307 VanDerWaalsContact O-N 3.12Å; A2303-V2341 HydrophobicContact CB-CG1 4.27Å; A2303-L2345 HydrophobicContact CB-CD1 3.93Å; A2303-L2345 HydrophobicContact CB-CD2 4.01Å; A2303-L2345 HydrophobicContact CB-CG 4.41Å |
| 2304 | R | 83.8 | Confident | 82.7 | Confident | 66 Ų | 66 | 31 Ų | 31 | 25% | 0.249 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -52.1 | 176.9 | -177.2 | -179.5 | 174.8 | -172.5 | -3.3 | 112.1 | D2181 A2244 A2247 A2300 L2302 V2306 I2307 S2308 | D2181-R2304 IonicContact OD1-CZ 2.74Å; D2181-R2304 IonicContact OD1-NH1 3.96Å; D2181-R2304 IonicContact OD1-NH2 3.58Å; D2181-R2304 PolarHBondContact OD1-NH2 3.23Å; D2181-R2304 IonicContact OD2-CZ 3.77Å; D2181-R2304 IonicContact OD2-NH1 3.66Å; D2181-R2304 PolarHBondContact OD2-NH1 3.26Å; D2181-R2304 IonicContact OD2-NH2 2.69Å; D2181-R2304 PolarHBondContact OD2-NH2 3.3Å; D2181-R2304 VanDerWaalsContact OD2-NH2 3.15Å; A2244-R2304 HydrophobicContact CB-CB 4.29Å; A2247-R2304 HydrophobicContact CB-CG 4.22Å; A2300-R2304 WeakPolarHBondContact O-CB 3.48Å; A2300-R2304 PolarHBondContact O-N 3.29Å; L2302-R2304 VanDerWaalsContact C-N 3.34Å; L2302-R2304 PolarHBondContact O-N 3.12Å; R2304-V2306 PolarHBondContact O-N 3.13Å; R2304-I2307 PolarHBondContact O-N 3.47Å; R2304-S2308 PolarHBondContact O-N 3.35Å |
| 2305 | R | 82.4 | Confident | 83.3 | Confident | 154 Ų | 154 | 28.8 Ų | 28.8 | 58% | 0.581 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -57.6 | -50.6 | 179.9 | -177.2 | -177.7 | 70.3 | -179.5 | 2.2 | 110.9 | N2301 L2302 I2307 S2308 D2309 | N2301-R2305 PolarHBondContact O-N 3.04Å; N2301-R2305 VanDerWaalsContact O-N 3.14Å; L2302-R2305 PolarHBondContact O-N 3.22Å; R2305-I2307 PolarHBondContact O-N 3.31Å; R2305-S2308 PolarHBondContact O-N 3.11Å; R2305-D2309 PolarHBondContact O-N 2.99Å |
| 2306 | V | 84.4 | Confident | 83.4 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.5 | -37.2 | -173.8 | 171.1 | 0 | 0 | 0 | 0 | 112.5 | P2276 I2277 L2302 R2304 L2310 | P2276-V2306 HydrophobicContact CB-CB 4.3Å; P2276-V2306 HydrophobicContact CB-CG1 3.86Å; P2276-V2306 HydrophobicContact CB-CG2 3.39Å; I2277-V2306 HydrophobicContact CB-CG1 4.24Å; I2277-V2306 HydrophobicContact CD1-CG1 4.43Å; I2277-V2306 HydrophobicContact CG1-CG1 3.32Å; L2302-V2306 HydrophobicContact CD1-CG2 3.87Å; L2302-V2306 HydrophobicContact CG-CG2 4.32Å; L2302-V2306 WeakPolarHBondContact O-CB 3.4Å; L2302-V2306 WeakPolarHBondContact O-CG2 3.42Å; L2302-V2306 PolarHBondContact O-N 2.79Å; R2304-V2306 PolarHBondContact O-N 3.13Å; V2306-L2310 VanDerWaalsContact O-CB 3.26Å; V2306-L2310 WeakPolarHBondContact O-CB 3.24Å; V2306-L2310 PolarHBondContact O-N 3.06Å |
| 2307 | I | 90 | Very high | 83.4 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.9 | -35.9 | 176.8 | -68.1 | -57 | 0 | 0 | 0 | 112.5 | I2248 A2303 R2304 R2305 L2310 L2311 A2338 V2341 | I2248-I2307 HydrophobicContact CD1-CB 4.39Å; I2248-I2307 HydrophobicContact CD1-CG1 4.25Å; I2248-I2307 HydrophobicContact CG1-CB 4.14Å; I2248-I2307 HydrophobicContact CG1-CG2 4.12Å; I2248-I2307 HydrophobicContact CG2-CG2 3.92Å; A2303-I2307 WeakPolarHBondContact O-CG1 3.33Å; A2303-I2307 PolarHBondContact O-N 3Å; A2303-I2307 VanDerWaalsContact O-N 3.12Å; R2304-I2307 PolarHBondContact O-N 3.47Å; R2305-I2307 PolarHBondContact O-N 3.31Å; I2307-L2310 HydrophobicContact CD1-CD2 4.05Å; I2307-L2310 PolarHBondContact O-N 3.39Å; I2307-L2311 HydrophobicContact CG2-CD1 3.85Å; I2307-L2311 HydrophobicContact CG2-CG 4.28Å; I2307-L2311 WeakPolarHBondContact O-CG 3.44Å; I2307-L2311 PolarHBondContact O-N 3.48Å; I2307-A2338 HydrophobicContact CD1-CB 4.28Å; I2307-A2338 HydrophobicContact CG2-CB 3.84Å; I2307-V2341 HydrophobicContact CD1-CB 3.98Å; I2307-V2341 HydrophobicContact CD1-CG1 4.16Å; I2307-V2341 HydrophobicContact CD1-CG2 3.99Å; I2307-V2341 HydrophobicContact CG1-CB 4.17Å; I2307-V2341 HydrophobicContact CG1-CG1 3.86Å |
| 2308 | S | 83 | Confident | 83.6 | Confident | 44 Ų | 44 | 26.1 Ų | 26.1 | 31% | 0.308 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -62.7 | -48.4 | 173.8 | -168.2 | 0 | 0 | 0 | 0 | 110.8 | E2251 R2304 R2305 L2310 L2311 G2312 | E2251-S2308 VanDerWaalsContact OE1-CB 3.25Å; E2251-S2308 WeakPolarHBondContact OE1-CB 3.47Å; E2251-S2308 PolarHBondContact OE1-OG 3.4Å; R2304-S2308 PolarHBondContact O-N 3.35Å; R2305-S2308 PolarHBondContact O-N 3.11Å; S2308-L2310 VanDerWaalsContact C-N 3.28Å; S2308-L2310 PolarHBondContact O-N 2.98Å; S2308-L2311 PolarHBondContact O-N 2.99Å; S2308-G2312 PolarHBondContact O-N 3.13Å |
| 2309 | D | 82.8 | Confident | 83.5 | Confident | 77 Ų | 77 | 27.8 Ų | 27.8 | 41% | 0.412 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -57.8 | -40.6 | 173.8 | -68.6 | -30.5 | 0 | 0 | 0 | 111.7 | V2273 R2305 C2313 | V2273-D2309 HydrophobicContact CG1-CB 3.8Å; V2273-D2309 HydrophobicContact CG2-CB 4.22Å; R2305-D2309 PolarHBondContact O-N 2.99Å; D2309-C2313 WeakPolarHBondContact O-CB 3.21Å; D2309-C2313 PolarHBondContact O-N 3.38Å; D2309-C2313 PolarHBondContact O-SG 3.42Å |
| 2310 | L | 89.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -52.8 | -177.3 | -178 | 72.1 | 0 | 0 | 0 | 111.4 | L2270 V2273 T2274 I2277 V2306 I2307 S2308 G2312 C2313 C2314 V2337 L2377 | L2270-L2310 HydrophobicContact CD1-CD1 3.89Å; V2273-L2310 HydrophobicContact CG1-CB 3.84Å; V2273-L2310 HydrophobicContact CG1-CD1 4.09Å; T2274-L2310 HydrophobicContact CG2-CD1 4.38Å; I2277-L2310 HydrophobicContact CD1-CD1 3.95Å; I2277-L2310 HydrophobicContact CD1-CD2 3.72Å; I2277-L2310 HydrophobicContact CD1-CG 4.33Å; V2306-L2310 VanDerWaalsContact O-CB 3.26Å; V2306-L2310 WeakPolarHBondContact O-CB 3.24Å; V2306-L2310 PolarHBondContact O-N 3.06Å; I2307-L2310 HydrophobicContact CD1-CD2 4.05Å; I2307-L2310 PolarHBondContact O-N 3.39Å; S2308-L2310 VanDerWaalsContact C-N 3.28Å; S2308-L2310 PolarHBondContact O-N 2.98Å; L2310-G2312 VanDerWaalsContact C-N 3.34Å; L2310-C2313 PolarHBondContact O-N 3.46Å; L2310-C2314 WeakPolarHBondContact O-CB 3.37Å; L2310-C2314 PolarHBondContact O-N 3.33Å; L2310-V2337 HydrophobicContact CD2-CB 3.99Å; L2310-V2337 HydrophobicContact CD2-CG1 3.5Å; L2310-V2337 VanDerWaalsContact CD2-CG1 3.5Å; L2310-L2377 HydrophobicContact CD1-CD2 3.84Å |
| 2311 | L | 88.2 | Confident | 82.1 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.7 | -37.9 | -176.3 | -66.8 | 174.7 | 0 | 0 | 0 | 110.8 | E2251 I2252 Y2255 I2307 S2308 C2314 R2315 A2338 | E2251-L2311 HydrophobicContact CB-CD1 3.92Å; I2252-L2311 HydrophobicContact CG1-CD1 4.13Å; Y2255-L2311 HydrophobicContact CD1-CD2 4.15Å; Y2255-L2311 HydrophobicContact CD2-CB 3.74Å; Y2255-L2311 HydrophobicContact CD2-CD2 3.76Å; Y2255-L2311 HydrophobicContact CD2-CG 4.29Å; Y2255-L2311 WeakPolarHBondContact CD2-O 3.12Å; Y2255-L2311 HydrophobicContact CE1-CD2 4.18Å; Y2255-L2311 HydrophobicContact CE2-CB 4.18Å; Y2255-L2311 HydrophobicContact CE2-CD2 3.79Å; Y2255-L2311 WeakPolarHBondContact CE2-O 3.33Å; Y2255-L2311 HydrophobicContact CG-CB 4.37Å; Y2255-L2311 HydrophobicContact CG-CD2 3.89Å; I2307-L2311 HydrophobicContact CG2-CD1 3.85Å; I2307-L2311 HydrophobicContact CG2-CG 4.28Å; I2307-L2311 WeakPolarHBondContact O-CG 3.44Å; I2307-L2311 PolarHBondContact O-N 3.48Å; S2308-L2311 PolarHBondContact O-N 2.99Å; L2311-C2314 PolarHBondContact O-N 3.36Å; L2311-R2315 WeakPolarHBondContact O-CB 3.32Å; L2311-R2315 PolarHBondContact O-N 3.34Å; L2311-A2338 HydrophobicContact CD1-CB 4.09Å; L2311-A2338 HydrophobicContact CD2-CB 4.05Å; L2311-A2338 HydrophobicContact CG-CB 4.33Å |
| 2312 | G | 83.1 | Confident | 81.2 | Confident | 46 Ų | 46 | 37.3 Ų | 37.3 | 47% | 0.474 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.3 | -50.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S2308 L2310 A2316 | S2308-G2312 PolarHBondContact O-N 3.13Å; L2310-G2312 VanDerWaalsContact C-N 3.34Å; G2312-A2316 WeakPolarHBondContact O-CB 3.49Å; G2312-A2316 PolarHBondContact O-N 3.07Å |
| 2313 | C | 84.9 | Confident | 80.5 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 8% | 0.081 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.8 | -39.6 | 177.3 | -65.4 | 0 | 0 | 0 | 0 | 112 | L2270 D2309 L2310 A2316 V2317 | L2270-C2313 HydrophobicContact CD1-CB 4.25Å; D2309-C2313 WeakPolarHBondContact O-CB 3.21Å; D2309-C2313 PolarHBondContact O-N 3.38Å; D2309-C2313 PolarHBondContact O-SG 3.42Å; L2310-C2313 PolarHBondContact O-N 3.46Å; C2313-A2316 PolarHBondContact O-N 2.67Å; C2313-V2317 WeakPolarHBondContact O-CB 3.31Å; C2313-V2317 VanDerWaalsContact O-CG2 3.32Å; C2313-V2317 WeakPolarHBondContact O-CG2 3.13Å; C2313-V2317 PolarHBondContact O-N 2.86Å |
| 2314 | C | 87.1 | Confident | 80 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -43.6 | -177.4 | -165.5 | 0 | 0 | 0 | 0 | 111.9 | Y2255 L2270 L2310 L2311 A2318 C2330 | Y2255-C2314 HydrophobicContact CE2-CB 4.12Å; Y2255-C2314 PolarHBondContact OH-SG 2.66Å; L2270-C2314 HydrophobicContact CD1-CB 3.72Å; L2270-C2314 HydrophobicContact CD2-CB 4.26Å; L2310-C2314 WeakPolarHBondContact O-CB 3.37Å; L2310-C2314 PolarHBondContact O-N 3.33Å; L2311-C2314 PolarHBondContact O-N 3.36Å; C2314-A2318 WeakPolarHBondContact O-CB 3.43Å; C2314-A2318 PolarHBondContact O-N 3.2Å; C2314-C2330 PolarHBondContact SG-O 3.18Å; C2314-C2330 VanDerWaalsContact SG-SG 3.69Å |
| 2315 | R | 85.3 | Confident | 79.6 | Confident | 40 Ų | 40 | 44.4 Ų | 44.4 | 15% | 0.151 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | 174.4 | -171.8 | 173.2 | 176.5 | 172.5 | 0.8 | 111.2 | A2254 Y2255 S2257 E2259 P2261 L2311 V2317 A2318 Y2319 | A2254-R2315 PolarHBondContact O-NH1 2.9Å; Y2255-R2315 HydrophobicContact CD2-CB 4.18Å; Y2255-R2315 HydrophobicContact CE2-CB 4.04Å; S2257-R2315 PolarHBondContact O-NH2 2.76Å; S2257-R2315 PolarHBondContact OG-NH2 3.12Å; E2259-R2315 PolarHBondContact O-NE 3.46Å; E2259-R2315 PolarHBondContact O-NH2 2.7Å; P2261-R2315 HydrophobicContact CB-CG 4.34Å; P2261-R2315 HydrophobicContact CG-CG 4.2Å; L2311-R2315 WeakPolarHBondContact O-CB 3.32Å; L2311-R2315 PolarHBondContact O-N 3.34Å; R2315-V2317 PolarHBondContact O-N 2.86Å; R2315-A2318 PolarHBondContact O-N 3.13Å; R2315-Y2319 HydrophobicContact CG-CD2 4.24Å; R2315-Y2319 HydrophobicContact CG-CE2 4.29Å; R2315-Y2319 WeakPolarHBondContact O-CD2 3.36Å; R2315-Y2319 PolarHBondContact O-N 3.14Å |
| 2316 | A | 80.9 | Confident | 79.2 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P2261 R2263 A2265 G2312 C2313 S2320 | P2261-A2316 HydrophobicContact CG-CB 4.43Å; R2263-A2316 VanDerWaalsContact O-CB 3.22Å; R2263-A2316 WeakPolarHBondContact O-CB 3.35Å; A2265-A2316 HydrophobicContact CB-CB 3.4Å; A2265-A2316 VanDerWaalsContact CB-CB 3.4Å; G2312-A2316 WeakPolarHBondContact O-CB 3.49Å; G2312-A2316 PolarHBondContact O-N 3.07Å; C2313-A2316 PolarHBondContact O-N 2.67Å; A2316-S2320 PolarHBondContact O-N 2.89Å |
| 2317 | V | 81.5 | Confident | 79 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.6 | -38 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | A2265 R2266 P2267 L2270 C2313 R2315 Y2319 S2320 L2384 | A2265-V2317 HydrophobicContact CB-CG2 3.93Å; R2266-V2317 VanDerWaalsContact C-CG2 3.41Å; R2266-V2317 VanDerWaalsContact O-CG2 3.24Å; R2266-V2317 WeakPolarHBondContact O-CG2 3.38Å; P2267-V2317 HydrophobicContact CB-CG1 4.33Å; P2267-V2317 HydrophobicContact CG-CG1 4.1Å; L2270-V2317 HydrophobicContact CB-CG2 4.06Å; L2270-V2317 HydrophobicContact CD2-CB 4.04Å; L2270-V2317 HydrophobicContact CD2-CG1 4.03Å; L2270-V2317 HydrophobicContact CD2-CG2 4.44Å; C2313-V2317 WeakPolarHBondContact O-CB 3.31Å; C2313-V2317 VanDerWaalsContact O-CG2 3.32Å; C2313-V2317 WeakPolarHBondContact O-CG2 3.13Å; C2313-V2317 PolarHBondContact O-N 2.86Å; R2315-V2317 PolarHBondContact O-N 2.86Å; V2317-Y2319 VanDerWaalsContact C-N 3.31Å; V2317-Y2319 PolarHBondContact O-N 3.3Å; V2317-S2320 PolarHBondContact O-N 3.44Å; V2317-S2320 PolarHBondContact O-OG 3.48Å; V2317-L2384 HydrophobicContact CG1-CD1 3.85Å |
| 2318 | A | 81.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | C2314 R2315 S2320 S2321 R2327 C2330 L2331 | C2314-A2318 WeakPolarHBondContact O-CB 3.43Å; C2314-A2318 PolarHBondContact O-N 3.2Å; R2315-A2318 PolarHBondContact O-N 3.13Å; A2318-S2320 VanDerWaalsContact C-N 3.32Å; A2318-S2320 PolarHBondContact O-N 3.06Å; A2318-S2321 WeakPolarHBondContact O-CB 3.46Å; A2318-S2321 PolarHBondContact O-N 2.98Å; A2318-R2327 HydrophobicContact CB-CG 4.02Å; A2318-R2327 WeakPolarHBondContact O-CB 3.36Å; A2318-R2327 VanDerWaalsContact O-CG 3.24Å; A2318-R2327 WeakPolarHBondContact O-CG 3.47Å; A2318-R2327 PolarHBondContact O-NE 3.15Å; A2318-R2327 VanDerWaalsContact O-NE 3.1Å; A2318-C2330 HydrophobicContact CB-CB 4.28Å; A2318-L2331 HydrophobicContact CB-CD1 4.46Å; A2318-L2331 HydrophobicContact CB-CD2 3.73Å; A2318-L2331 HydrophobicContact CB-CG 3.74Å |
| 2319 | Y | 76 | Confident | 78.6 | Confident | 58 Ų | 58 | 51.6 Ų | 51.6 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.9 | -20.2 | 175.8 | -86.2 | -85.2 | 0 | 0 | 0 | 114 | V2258 Q2260 P2261 R2315 V2317 S2321 R2327 | V2258-Y2319 PolarHBondContact O-OH 2.82Å; V2258-Y2319 VanDerWaalsContact O-OH 3.09Å; Q2260-Y2319 HydrophobicContact CG-CD1 4.14Å; Q2260-Y2319 HydrophobicContact CG-CE1 4.04Å; P2261-Y2319 HydrophobicContact CG-CD2 4.07Å; P2261-Y2319 HydrophobicContact CG-CG 4.27Å; R2315-Y2319 HydrophobicContact CG-CD2 4.24Å; R2315-Y2319 HydrophobicContact CG-CE2 4.29Å; R2315-Y2319 WeakPolarHBondContact O-CD2 3.36Å; R2315-Y2319 PolarHBondContact O-N 3.14Å; V2317-Y2319 VanDerWaalsContact C-N 3.31Å; V2317-Y2319 PolarHBondContact O-N 3.3Å; Y2319-S2321 VanDerWaalsContact C-N 3.26Å; Y2319-S2321 PolarHBondContact O-N 3.47Å; Y2319-R2327 PolarHBondContact O-NH2 3.09Å |
| 2320 | S | 68 | Low | 78.8 | Confident | 77 Ų | 77 | 47.9 Ų | 47.9 | 54% | 0.538 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -10.1 | 172.4 | 75.4 | 0 | 0 | 0 | 0 | 114 | A2316 V2317 A2318 | A2316-S2320 PolarHBondContact O-N 2.89Å; V2317-S2320 PolarHBondContact O-N 3.44Å; V2317-S2320 PolarHBondContact O-OG 3.48Å; A2318-S2320 VanDerWaalsContact C-N 3.32Å; A2318-S2320 PolarHBondContact O-N 3.06Å |
| 2321 | S | 65.9 | Low | 78.7 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | trans | -71.4 | 124.6 | 174.1 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | A2318 Y2319 N2323 R2327 | A2318-S2321 WeakPolarHBondContact O-CB 3.46Å; A2318-S2321 PolarHBondContact O-N 2.98Å; Y2319-S2321 VanDerWaalsContact C-N 3.26Å; Y2319-S2321 PolarHBondContact O-N 3.47Å; S2321-N2323 PolarHBondContact O-N 2.9Å; S2321-N2323 PolarHBondContact OG-N 3.24Å; S2321-N2323 PolarHBondContact OG-O 3.03Å; S2321-R2327 PolarHBondContact O-NH2 2.78Å | ||
| 2322 | E | 60.6 | Low | 78.6 | Confident | 156 Ų | 156 | 53.4 Ų | 53.4 | 73% | 0.729 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -66 | -19.5 | 164.6 | -69.2 | -169.6 | -173.5 | 0 | 0 | 112 | K383 | K383-E2322 IonicContact NZ-OE1 2.67Å; K383-E2322 PolarHBondContact NZ-OE1 3.05Å |
| 2323 | N | 68.5 | Low | 78.9 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | trans | -99.3 | 115.8 | -179.5 | -173.2 | -15.8 | 0 | 0 | 0 | 112 | S2321 E2325 V2326 R2327 | S2321-N2323 PolarHBondContact O-N 2.9Å; S2321-N2323 PolarHBondContact OG-N 3.24Å; S2321-N2323 PolarHBondContact OG-O 3.03Å; N2323-E2325 PolarHBondContact O-N 3.03Å; N2323-E2325 WeakPolarHBondContact OD1-CB 3.41Å; N2323-E2325 PolarHBondContact OD1-N 3.4Å; N2323-V2326 HydrophobicContact CB-CB 4.45Å; N2323-V2326 HydrophobicContact CB-CG2 4.13Å; N2323-V2326 PolarHBondContact O-N 2.99Å; N2323-R2327 PolarHBondContact O-N 3.45Å; N2323-R2327 VanDerWaalsContact O-N 3.07Å | ||
| 2324 | A | 72.5 | Confident | 79 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 44% | 0.438 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.8 | -35.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R2327 Y2328 | A2324-R2327 WeakPolarHBondContact O-CB 3.43Å; A2324-R2327 PolarHBondContact O-N 3.2Å; A2324-Y2328 WeakPolarHBondContact O-CD2 3.26Å; A2324-Y2328 PolarHBondContact O-N 2.75Å |
| 2325 | E | 75.2 | Confident | 79.2 | Confident | 105 Ų | 105 | 55.5 Ų | 55.5 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 179.9 | -170.7 | -173.4 | 169.3 | 0 | 0 | 111.2 | N2323 R2329 | N2323-E2325 PolarHBondContact O-N 3.03Å; N2323-E2325 WeakPolarHBondContact OD1-CB 3.41Å; N2323-E2325 PolarHBondContact OD1-N 3.4Å; E2325-R2329 WeakPolarHBondContact O-CG 3.42Å; E2325-R2329 PolarHBondContact O-N 3.48Å; E2325-R2329 VanDerWaalsContact O-N 3.1Å; E2325-R2329 IonicContact OE1-CZ 3.25Å; E2325-R2329 IonicContact OE1-NH1 2.72Å; E2325-R2329 PolarHBondContact OE1-NH1 3.29Å; E2325-R2329 IonicContact OE1-NH2 3.24Å; E2325-R2329 PolarHBondContact OE1-NH2 2.98Å |
| 2326 | V | 74.5 | Confident | 79.3 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.6 | -34.5 | 176.7 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | N2323 C2330 L2383 L2384 | N2323-V2326 HydrophobicContact CB-CB 4.45Å; N2323-V2326 HydrophobicContact CB-CG2 4.13Å; N2323-V2326 PolarHBondContact O-N 2.99Å; V2326-C2330 VanDerWaalsContact O-CB 3.29Å; V2326-C2330 WeakPolarHBondContact O-CB 3.45Å; V2326-C2330 PolarHBondContact O-N 3.35Å; V2326-L2383 HydrophobicContact CG1-CB 3.97Å; V2326-L2384 HydrophobicContact CB-CD2 4.16Å; V2326-L2384 HydrophobicContact CG1-CD2 3.44Å; V2326-L2384 VanDerWaalsContact CG1-CD2 3.44Å; V2326-L2384 HydrophobicContact CG1-CG 3.72Å |
| 2327 | R | 80.2 | Confident | 79.8 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.3 | -54.9 | 172.4 | 175.9 | -179.7 | -55.8 | 172.5 | 5.9 | 111.3 | A2318 Y2319 S2321 N2323 A2324 C2330 L2331 | A2318-R2327 HydrophobicContact CB-CG 4.02Å; A2318-R2327 WeakPolarHBondContact O-CB 3.36Å; A2318-R2327 VanDerWaalsContact O-CG 3.24Å; A2318-R2327 WeakPolarHBondContact O-CG 3.47Å; A2318-R2327 PolarHBondContact O-NE 3.15Å; A2318-R2327 VanDerWaalsContact O-NE 3.1Å; Y2319-R2327 PolarHBondContact O-NH2 3.09Å; S2321-R2327 PolarHBondContact O-NH2 2.78Å; N2323-R2327 PolarHBondContact O-N 3.45Å; N2323-R2327 VanDerWaalsContact O-N 3.07Å; A2324-R2327 WeakPolarHBondContact O-CB 3.43Å; A2324-R2327 PolarHBondContact O-N 3.2Å; R2327-C2330 PolarHBondContact O-N 3.41Å; R2327-L2331 HydrophobicContact CG-CD1 4.19Å; R2327-L2331 WeakPolarHBondContact O-CG 3.19Å; R2327-L2331 PolarHBondContact O-N 2.69Å |
| 2328 | Y | 83.1 | Confident | 80.2 | Confident | 152 Ų | 152 | 57.6 Ų | 57.6 | 60% | 0.596 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64 | -43 | -179.6 | -72.6 | -65.6 | 0 | 0 | 0 | 112.3 | A2324 C2330 L2331 D2332 | A2324-Y2328 WeakPolarHBondContact O-CD2 3.26Å; A2324-Y2328 PolarHBondContact O-N 2.75Å; Y2328-C2330 VanDerWaalsContact C-N 3.33Å; Y2328-C2330 PolarHBondContact O-N 3.23Å; Y2328-L2331 PolarHBondContact O-N 3.45Å; Y2328-L2331 VanDerWaalsContact O-N 3.11Å; Y2328-D2332 PolarHBondContact O-N 3.14Å |
| 2329 | R | 82.9 | Confident | 80.7 | Confident | 120 Ų | 120 | 59.7 Ų | 59.7 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 174.9 | -76.2 | -175 | 176 | 133.6 | 12.9 | 113.6 | E2325 A2333 Q2380 | E2325-R2329 WeakPolarHBondContact O-CG 3.42Å; E2325-R2329 PolarHBondContact O-N 3.48Å; E2325-R2329 VanDerWaalsContact O-N 3.1Å; E2325-R2329 IonicContact OE1-CZ 3.25Å; E2325-R2329 IonicContact OE1-NH1 2.72Å; E2325-R2329 PolarHBondContact OE1-NH1 3.29Å; E2325-R2329 IonicContact OE1-NH2 3.24Å; E2325-R2329 PolarHBondContact OE1-NH2 2.98Å; R2329-A2333 WeakPolarHBondContact O-CB 3.43Å; R2329-A2333 PolarHBondContact O-N 3.27Å; R2329-Q2380 HydrophobicContact CB-CG 4.36Å |
| 2330 | C | 85.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 174.9 | -169.8 | 0 | 0 | 0 | 0 | 111.2 | C2314 A2318 V2326 R2327 Y2328 A2333 G2334 L2384 | C2314-C2330 PolarHBondContact SG-O 3.18Å; C2314-C2330 VanDerWaalsContact SG-SG 3.69Å; A2318-C2330 HydrophobicContact CB-CB 4.28Å; V2326-C2330 VanDerWaalsContact O-CB 3.29Å; V2326-C2330 WeakPolarHBondContact O-CB 3.45Å; V2326-C2330 PolarHBondContact O-N 3.35Å; R2327-C2330 PolarHBondContact O-N 3.41Å; Y2328-C2330 VanDerWaalsContact C-N 3.33Å; Y2328-C2330 PolarHBondContact O-N 3.23Å; C2330-A2333 PolarHBondContact O-N 3.31Å; C2330-G2334 PolarHBondContact O-N 3.02Å; C2330-L2384 HydrophobicContact CB-CD1 3.88Å; C2330-L2384 VanDerWaalsContact SG-CD1 3.6Å |
| 2331 | L | 87.2 | Confident | 82.4 | Confident | 26 Ų | 26 | 56.3 Ų | 56.3 | 14% | 0.136 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 178.2 | -71.8 | 172.6 | 0 | 0 | 0 | 111.7 | Y2255 A2318 R2327 Y2328 G2334 R2335 | Y2255-L2331 HydrophobicContact CE1-CD2 4.28Å; Y2255-L2331 WeakPolarHBondContact CE1-O 3.19Å; Y2255-L2331 HydrophobicContact CE2-CD2 4.07Å; Y2255-L2331 VanDerWaalsContact OH-CA 3.24Å; Y2255-L2331 WeakPolarHBondContact OH-CA 3.47Å; Y2255-L2331 PolarHBondContact OH-O 3.4Å; A2318-L2331 HydrophobicContact CB-CD1 4.46Å; A2318-L2331 HydrophobicContact CB-CD2 3.73Å; A2318-L2331 HydrophobicContact CB-CG 3.74Å; R2327-L2331 HydrophobicContact CG-CD1 4.19Å; R2327-L2331 WeakPolarHBondContact O-CG 3.19Å; R2327-L2331 PolarHBondContact O-N 2.69Å; Y2328-L2331 PolarHBondContact O-N 3.45Å; Y2328-L2331 VanDerWaalsContact O-N 3.11Å; L2331-G2334 PolarHBondContact O-N 3.25Å; L2331-R2335 PolarHBondContact O-N 3.24Å |
| 2332 | D | 87.4 | Confident | 83.5 | Confident | 96 Ų | 96 | 59.8 Ų | 59.8 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 177.6 | -72.1 | -25.2 | 0 | 0 | 0 | 112 | Y2328 G2334 R2335 D2336 | Y2328-D2332 PolarHBondContact O-N 3.14Å; D2332-G2334 VanDerWaalsContact C-N 3.31Å; D2332-G2334 PolarHBondContact O-N 2.89Å; D2332-R2335 VanDerWaalsContact O-CB 3.32Å; D2332-R2335 WeakPolarHBondContact O-CB 3.37Å; D2332-R2335 PolarHBondContact O-N 3.36Å; D2332-R2335 VanDerWaalsContact O-N 3.13Å; D2332-D2336 PolarHBondContact O-N 2.83Å |
| 2333 | A | 87.8 | Confident | 84.8 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R2329 C2330 V2337 L2377 Q2380 | R2329-A2333 WeakPolarHBondContact O-CB 3.43Å; R2329-A2333 PolarHBondContact O-N 3.27Å; C2330-A2333 PolarHBondContact O-N 3.31Å; A2333-V2337 WeakPolarHBondContact O-CG2 3.25Å; A2333-V2337 PolarHBondContact O-N 3.2Å; A2333-L2377 HydrophobicContact CB-CB 4.11Å; A2333-L2377 HydrophobicContact CB-CD1 3.89Å; A2333-Q2380 HydrophobicContact CB-CG 4.05Å |
| 2334 | G | 88.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -38.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | C2330 L2331 D2332 A2338 | C2330-G2334 PolarHBondContact O-N 3.02Å; L2331-G2334 PolarHBondContact O-N 3.25Å; D2332-G2334 VanDerWaalsContact C-N 3.31Å; D2332-G2334 PolarHBondContact O-N 2.89Å; G2334-A2338 PolarHBondContact O-N 3.28Å |
| 2335 | R | 89.6 | Confident | 86.5 | Confident | 88 Ų | 88 | 49.4 Ų | 49.4 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.2 | -49.4 | 174.8 | -172.2 | -160.7 | -168.1 | 95.4 | 23.7 | 111.4 | Y2255 D2256 L2331 D2332 V2337 A2338 V2339 | Y2255-R2335 HydrophobicContact CE1-CB 4.23Å; D2256-R2335 VanDerWaalsContact CG-NH1 3.27Å; D2256-R2335 IonicContact OD1-CZ 2.98Å; D2256-R2335 IonicContact OD1-NH1 3.66Å; D2256-R2335 PolarHBondContact OD1-NH1 3.2Å; D2256-R2335 IonicContact OD1-NH2 3.31Å; D2256-R2335 PolarHBondContact OD1-NH2 3.1Å; D2256-R2335 IonicContact OD2-CZ 3.67Å; D2256-R2335 IonicContact OD2-NH1 3.95Å; D2256-R2335 PolarHBondContact OD2-NH1 3.45Å; D2256-R2335 IonicContact OD2-NH2 3Å; D2256-R2335 PolarHBondContact OD2-NH2 3.26Å; L2331-R2335 PolarHBondContact O-N 3.24Å; D2332-R2335 VanDerWaalsContact O-CB 3.32Å; D2332-R2335 WeakPolarHBondContact O-CB 3.37Å; D2332-R2335 PolarHBondContact O-N 3.36Å; D2332-R2335 VanDerWaalsContact O-N 3.13Å; R2335-V2337 VanDerWaalsContact C-N 3.33Å; R2335-V2337 PolarHBondContact O-N 2.92Å; R2335-A2338 PolarHBondContact O-N 2.72Å; R2335-V2339 HydrophobicContact CG-CG2 4.48Å; R2335-V2339 WeakPolarHBondContact O-CG2 3.42Å; R2335-V2339 PolarHBondContact O-N 3.37Å |
| 2336 | D | 88.8 | Confident | 87 | Confident | 90 Ų | 90 | 48 Ų | 48 | 48% | 0.481 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.6 | -43 | -177.5 | -87.2 | -11.5 | 0 | 0 | 0 | 111.9 | D2332 A2338 V2339 K2340 | D2332-D2336 PolarHBondContact O-N 2.83Å; D2336-A2338 PolarHBondContact O-N 3.46Å; D2336-V2339 PolarHBondContact O-N 3.49Å; D2336-K2340 WeakPolarHBondContact O-CG 3.42Å; D2336-K2340 PolarHBondContact O-N 2.75Å |
| 2337 | V | 90.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.6 | -45.7 | 175.8 | 173 | 0 | 0 | 0 | 0 | 111.6 | I2277 L2310 A2333 R2335 K2340 V2341 A2373 V2374 L2377 | I2277-V2337 HydrophobicContact CD1-CG1 3.58Å; I2277-V2337 HydrophobicContact CG2-CG1 4.44Å; L2310-V2337 HydrophobicContact CD2-CB 3.99Å; L2310-V2337 HydrophobicContact CD2-CG1 3.5Å; L2310-V2337 VanDerWaalsContact CD2-CG1 3.5Å; A2333-V2337 WeakPolarHBondContact O-CG2 3.25Å; A2333-V2337 PolarHBondContact O-N 3.2Å; R2335-V2337 VanDerWaalsContact C-N 3.33Å; R2335-V2337 PolarHBondContact O-N 2.92Å; V2337-K2340 PolarHBondContact O-N 2.86Å; V2337-V2341 WeakPolarHBondContact O-CG2 3.47Å; V2337-V2341 PolarHBondContact O-N 3.26Å; V2337-A2373 VanDerWaalsContact CG2-C 3.45Å; V2337-A2373 HydrophobicContact CG2-CB 3.67Å; V2337-A2373 WeakPolarHBondContact CG2-O 3.5Å; V2337-V2374 HydrophobicContact CG1-CG2 4.01Å; V2337-V2374 HydrophobicContact CG2-CG2 4.22Å; V2337-L2377 HydrophobicContact CG2-CB 4.23Å; V2337-L2377 HydrophobicContact CG2-CD2 4.2Å |
| 2338 | A | 90.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66 | -38.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I2252 I2307 L2311 G2334 R2335 D2336 R2342 | I2252-A2338 HydrophobicContact CD1-CB 3.94Å; I2252-A2338 HydrophobicContact CG1-CB 3.87Å; I2307-A2338 HydrophobicContact CD1-CB 4.28Å; I2307-A2338 HydrophobicContact CG2-CB 3.84Å; L2311-A2338 HydrophobicContact CD1-CB 4.09Å; L2311-A2338 HydrophobicContact CD2-CB 4.05Å; L2311-A2338 HydrophobicContact CG-CB 4.33Å; G2334-A2338 PolarHBondContact O-N 3.28Å; R2335-A2338 PolarHBondContact O-N 2.72Å; D2336-A2338 PolarHBondContact O-N 3.46Å; A2338-R2342 WeakPolarHBondContact O-CB 3.47Å; A2338-R2342 PolarHBondContact O-N 2.84Å |
| 2339 | V | 91.2 | Very high | 87.9 | Confident | 44 Ų | 44 | 39.3 Ų | 39.3 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | I2252 R2335 D2336 R2342 E2343 | I2252-V2339 HydrophobicContact CD1-CG2 4.26Å; R2335-V2339 HydrophobicContact CG-CG2 4.48Å; R2335-V2339 WeakPolarHBondContact O-CG2 3.42Å; R2335-V2339 PolarHBondContact O-N 3.37Å; D2336-V2339 PolarHBondContact O-N 3.49Å; V2339-R2342 WeakPolarHBondContact O-CB 3.49Å; V2339-R2342 PolarHBondContact O-N 2.8Å; V2339-E2343 WeakPolarHBondContact O-CG 3.36Å; V2339-E2343 PolarHBondContact O-N 2.96Å |
| 2340 | K | 90.1 | Very high | 87.8 | Confident | 60 Ų | 60 | 37.1 Ų | 37.1 | 26% | 0.261 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.7 | -35.7 | 179.8 | -64.6 | -43.1 | -177.5 | -171.8 | 0 | 113.8 | D2336 V2337 R2342 E2343 L2344 I2370 | D2336-K2340 WeakPolarHBondContact O-CG 3.42Å; D2336-K2340 PolarHBondContact O-N 2.75Å; V2337-K2340 PolarHBondContact O-N 2.86Å; K2340-R2342 VanDerWaalsContact C-N 3.34Å; K2340-E2343 WeakPolarHBondContact CD-OE2 3.32Å; K2340-E2343 IonicContact NZ-OE1 3.52Å; K2340-E2343 PolarHBondContact NZ-OE1 3.47Å; K2340-E2343 IonicContact NZ-OE2 3.55Å; K2340-E2343 PolarHBondContact NZ-OE2 3.29Å; K2340-E2343 PolarHBondContact O-N 3.29Å; K2340-L2344 PolarHBondContact O-N 3.02Å; K2340-I2370 HydrophobicContact CB-CG1 3.72Å |
| 2341 | V | 89.5 | Confident | 87.6 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 170.7 | 171.9 | 0 | 0 | 0 | 0 | 111 | I2277 A2303 I2307 V2337 L2344 L2345 I2370 | I2277-V2341 HydrophobicContact CG2-CG2 3.86Å; A2303-V2341 HydrophobicContact CB-CG1 4.27Å; I2307-V2341 HydrophobicContact CD1-CB 3.98Å; I2307-V2341 HydrophobicContact CD1-CG1 4.16Å; I2307-V2341 HydrophobicContact CD1-CG2 3.99Å; I2307-V2341 HydrophobicContact CG1-CB 4.17Å; I2307-V2341 HydrophobicContact CG1-CG1 3.86Å; V2337-V2341 WeakPolarHBondContact O-CG2 3.47Å; V2337-V2341 PolarHBondContact O-N 3.26Å; V2341-L2344 PolarHBondContact O-N 2.83Å; V2341-L2345 WeakPolarHBondContact O-CG 3.44Å; V2341-L2345 PolarHBondContact O-N 3.21Å; V2341-I2370 HydrophobicContact CG2-CD1 4.04Å; V2341-I2370 HydrophobicContact CG2-CG1 4.22Å; V2341-I2370 HydrophobicContact CG2-CG2 4.02Å |
| 2342 | R | 89.5 | Confident | 87.2 | Confident | 86 Ų | 86 | 37.5 Ų | 37.5 | 33% | 0.325 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 174.9 | -171.9 | 173.5 | 173 | -116.8 | -1.6 | 112.7 | I2245 I2248 A2338 V2339 K2340 L2344 L2345 Q2346 | I2245-R2342 HydrophobicContact CG2-CG 4.33Å; I2245-R2342 PolarHBondContact O-NE 3.12Å; I2248-R2342 HydrophobicContact CG2-CB 3.99Å; I2248-R2342 HydrophobicContact CG2-CG 4.34Å; A2338-R2342 WeakPolarHBondContact O-CB 3.47Å; A2338-R2342 PolarHBondContact O-N 2.84Å; V2339-R2342 WeakPolarHBondContact O-CB 3.49Å; V2339-R2342 PolarHBondContact O-N 2.8Å; K2340-R2342 VanDerWaalsContact C-N 3.34Å; R2342-L2344 VanDerWaalsContact C-N 3.35Å; R2342-L2345 PolarHBondContact O-N 3.26Å; R2342-Q2346 WeakPolarHBondContact O-CG 3.39Å; R2342-Q2346 PolarHBondContact O-N 2.86Å |
| 2343 | E | 87.5 | Confident | 86.7 | Confident | 71 Ų | 71 | 38.2 Ų | 38.2 | 33% | 0.332 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.4 | -40 | 172.3 | -74.8 | 172.9 | -158.5 | 0 | 0 | 112.1 | V2339 K2340 Q2346 T2347 | V2339-E2343 WeakPolarHBondContact O-CG 3.36Å; V2339-E2343 PolarHBondContact O-N 2.96Å; K2340-E2343 WeakPolarHBondContact CD-OE2 3.32Å; K2340-E2343 IonicContact NZ-OE1 3.52Å; K2340-E2343 PolarHBondContact NZ-OE1 3.47Å; K2340-E2343 IonicContact NZ-OE2 3.55Å; K2340-E2343 PolarHBondContact NZ-OE2 3.29Å; K2340-E2343 PolarHBondContact O-N 3.29Å; E2343-Q2346 PolarHBondContact O-N 2.75Å; E2343-T2347 WeakPolarHBondContact O-CB 3.31Å; E2343-T2347 PolarHBondContact O-N 3.01Å; E2343-T2347 PolarHBondContact O-OG1 2.87Å |
| 2344 | L | 88.2 | Confident | 86 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 174.9 | 177.8 | 69.8 | 0 | 0 | 0 | 112 | T2281 A2284 K2340 V2341 R2342 Q2346 T2347 L2348 M2363 A2366 I2370 | T2281-L2344 HydrophobicContact CG2-CD2 3.98Å; A2284-L2344 HydrophobicContact CB-CD2 3.84Å; A2284-L2344 HydrophobicContact CB-CG 4.36Å; K2340-L2344 PolarHBondContact O-N 3.02Å; V2341-L2344 PolarHBondContact O-N 2.83Å; R2342-L2344 VanDerWaalsContact C-N 3.35Å; L2344-Q2346 VanDerWaalsContact C-N 3.35Å; L2344-Q2346 PolarHBondContact O-N 3.28Å; L2344-T2347 CarbonylContact O-C 3.57Å; L2344-T2347 WeakPolarHBondContact O-CA 3.36Å; L2344-T2347 WeakPolarHBondContact O-CB 3.5Å; L2344-T2347 PolarHBondContact O-N 3.02Å; L2344-T2347 VanDerWaalsContact O-N 3.13Å; L2344-L2348 PolarHBondContact O-N 2.8Å; L2344-M2363 HydrophobicContact CD1-CE 4.09Å; L2344-A2366 HydrophobicContact CD1-CB 3.84Å; L2344-I2370 HydrophobicContact CB-CD1 3.75Å; L2344-I2370 HydrophobicContact CD2-CD1 3.61Å; L2344-I2370 HydrophobicContact CG-CD1 4.25Å |
| 2345 | L | 87.8 | Confident | 85 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 177.4 | -64.6 | -179.4 | 0 | 0 | 0 | 111.9 | L2241 A2244 I2245 I2248 A2303 V2341 R2342 T2347 L2348 N2349 | L2241-L2345 HydrophobicContact CD1-CB 3.86Å; L2241-L2345 HydrophobicContact CD1-CD2 3.66Å; L2241-L2345 HydrophobicContact CD1-CG 4.19Å; A2244-L2345 HydrophobicContact CB-CD1 4.41Å; I2245-L2345 HydrophobicContact CD1-CB 4.05Å; I2245-L2345 HydrophobicContact CG1-CB 3.58Å; I2245-L2345 HydrophobicContact CG1-CD1 4.34Å; I2248-L2345 HydrophobicContact CD1-CD1 3.59Å; A2303-L2345 HydrophobicContact CB-CD1 3.93Å; A2303-L2345 HydrophobicContact CB-CD2 4.01Å; A2303-L2345 HydrophobicContact CB-CG 4.41Å; V2341-L2345 WeakPolarHBondContact O-CG 3.44Å; V2341-L2345 PolarHBondContact O-N 3.21Å; R2342-L2345 PolarHBondContact O-N 3.26Å; L2345-T2347 VanDerWaalsContact C-N 3.3Å; L2345-T2347 PolarHBondContact O-N 3.25Å; L2345-L2348 PolarHBondContact O-N 3.16Å; L2345-N2349 PolarHBondContact O-N 3.48Å |
| 2346 | Q | 87.3 | Confident | 84.2 | Confident | 75 Ų | 75 | 46.5 Ų | 46.5 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.7 | -37.6 | 171 | -72.8 | 173.9 | -20.7 | 0 | 0 | 112 | I2245 R2342 E2343 L2344 N2349 N2350 | I2245-Q2346 HydrophobicContact CD1-CG 4.16Å; I2245-Q2346 HydrophobicContact CG1-CG 4.47Å; I2245-Q2346 HydrophobicContact CG2-CG 3.99Å; R2342-Q2346 WeakPolarHBondContact O-CG 3.39Å; R2342-Q2346 PolarHBondContact O-N 2.86Å; E2343-Q2346 PolarHBondContact O-N 2.75Å; L2344-Q2346 VanDerWaalsContact C-N 3.35Å; L2344-Q2346 PolarHBondContact O-N 3.28Å; Q2346-N2349 PolarHBondContact O-N 2.72Å; Q2346-N2350 PolarHBondContact O-N 2.8Å; Q2346-N2350 PolarHBondContact O-ND2 3.5Å |
| 2347 | T | 84 | Confident | 83.2 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 16% | 0.16 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -42.1 | 174.4 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | E2343 L2344 L2345 N2349 N2350 V2351 M2362 M2363 | E2343-T2347 WeakPolarHBondContact O-CB 3.31Å; E2343-T2347 PolarHBondContact O-N 3.01Å; E2343-T2347 PolarHBondContact O-OG1 2.87Å; L2344-T2347 CarbonylContact O-C 3.57Å; L2344-T2347 WeakPolarHBondContact O-CA 3.36Å; L2344-T2347 WeakPolarHBondContact O-CB 3.5Å; L2344-T2347 PolarHBondContact O-N 3.02Å; L2344-T2347 VanDerWaalsContact O-N 3.13Å; L2345-T2347 VanDerWaalsContact C-N 3.3Å; L2345-T2347 PolarHBondContact O-N 3.25Å; T2347-N2349 VanDerWaalsContact C-N 3.32Å; T2347-N2349 PolarHBondContact O-N 3.23Å; T2347-N2350 WeakPolarHBondContact O-CB 3.42Å; T2347-N2350 PolarHBondContact O-N 2.81Å; T2347-V2351 WeakPolarHBondContact O-CG2 3.41Å; T2347-V2351 PolarHBondContact O-N 3.23Å; T2347-M2362 HydrophobicContact CG2-CB 4.24Å; T2347-M2363 HydrophobicContact CG2-CG 4.16Å |
| 2348 | L | 86 | Confident | 82.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 172.1 | 177.2 | 59.9 | 0 | 0 | 0 | 111.5 | L2241 A2284 A2287 L2344 L2345 N2350 V2351 L2352 M2363 | L2241-L2348 HydrophobicContact CD1-CD2 3.93Å; L2241-L2348 HydrophobicContact CD1-CG 4.47Å; L2241-L2348 HydrophobicContact CD2-CB 4.04Å; L2241-L2348 HydrophobicContact CD2-CD2 3.95Å; L2241-L2348 HydrophobicContact CD2-CG 3.66Å; A2284-L2348 HydrophobicContact CB-CD2 4.46Å; A2287-L2348 HydrophobicContact CB-CD1 4.47Å; A2287-L2348 HydrophobicContact CB-CD2 4.41Å; L2344-L2348 PolarHBondContact O-N 2.8Å; L2345-L2348 PolarHBondContact O-N 3.16Å; L2348-N2350 VanDerWaalsContact C-N 3.34Å; L2348-N2350 PolarHBondContact O-N 2.96Å; L2348-V2351 WeakPolarHBondContact O-CB 3.42Å; L2348-V2351 PolarHBondContact O-N 3.43Å; L2348-V2351 VanDerWaalsContact O-N 3.15Å; L2348-L2352 WeakPolarHBondContact O-CG 3.39Å; L2348-L2352 PolarHBondContact O-N 2.96Å; L2348-M2363 HydrophobicContact CB-CE 3.93Å; L2348-M2363 HydrophobicContact CD1-CE 4.01Å; L2348-M2363 HydrophobicContact CG-CE 4.48Å |
| 2349 | N | 84.9 | Confident | 81.2 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.4 | -163.3 | 21.8 | 0 | 0 | 0 | 111.4 | L2241 I2245 L2345 Q2346 T2347 V2351 L2352 L2353 | L2241-N2349 HydrophobicContact CD2-CB 3.75Å; L2241-N2349 HydrophobicContact CG-CB 4.44Å; I2245-N2349 HydrophobicContact CD1-CB 4.22Å; L2345-N2349 PolarHBondContact O-N 3.48Å; Q2346-N2349 PolarHBondContact O-N 2.72Å; T2347-N2349 VanDerWaalsContact C-N 3.32Å; T2347-N2349 PolarHBondContact O-N 3.23Å; N2349-V2351 VanDerWaalsContact C-N 3.33Å; N2349-V2351 PolarHBondContact O-N 3.45Å; N2349-L2352 PolarHBondContact O-N 3.07Å; N2349-L2353 WeakPolarHBondContact O-CG 3.4Å; N2349-L2353 PolarHBondContact O-N 3.48Å |
| 2350 | N | 82.3 | Confident | 80.3 | Confident | 74 Ų | 74 | 61.2 Ų | 61.2 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -35.5 | 173.1 | -71.5 | -37.7 | 0 | 0 | 0 | 112.8 | Q2346 T2347 L2348 L2353 K2354 F2359 | Q2346-N2350 PolarHBondContact O-N 2.8Å; Q2346-N2350 PolarHBondContact O-ND2 3.5Å; T2347-N2350 WeakPolarHBondContact O-CB 3.42Å; T2347-N2350 PolarHBondContact O-N 2.81Å; L2348-N2350 VanDerWaalsContact C-N 3.34Å; L2348-N2350 PolarHBondContact O-N 2.96Å; N2350-L2353 PolarHBondContact O-N 2.67Å; N2350-K2354 WeakPolarHBondContact O-CA 3.49Å; N2350-K2354 PolarHBondContact O-N 3.27Å; N2350-F2359 HydrophobicContact CB-CD1 4.08Å; N2350-F2359 HydrophobicContact CB-CE1 4.25Å |
| 2351 | V | 81.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 173.3 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | T2347 L2348 N2349 K2354 P2355 F2359 R2360 M2363 | T2347-V2351 WeakPolarHBondContact O-CG2 3.41Å; T2347-V2351 PolarHBondContact O-N 3.23Å; L2348-V2351 WeakPolarHBondContact O-CB 3.42Å; L2348-V2351 PolarHBondContact O-N 3.43Å; L2348-V2351 VanDerWaalsContact O-N 3.15Å; N2349-V2351 VanDerWaalsContact C-N 3.33Å; N2349-V2351 PolarHBondContact O-N 3.45Å; V2351-K2354 CarbonylContact O-C 3.59Å; V2351-K2354 VanDerWaalsContact O-C 3.27Å; V2351-P2355 VanDerWaalsContact O-CA 3.31Å; V2351-P2355 WeakPolarHBondContact O-CA 3.39Å; V2351-F2359 HydrophobicContact CG2-CB 3.7Å; V2351-R2360 HydrophobicContact CG1-CG 4.09Å; V2351-M2363 HydrophobicContact CG2-CG 4.31Å; V2351-M2363 HydrophobicContact CG2-SD 4.02Å |
| 2352 | L | 77 | Confident | 79 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.1 | -38.8 | 177 | -65.2 | 170.4 | 0 | 0 | 0 | 112.4 | L2241 V2296 L2348 N2349 | L2241-L2352 HydrophobicContact CD2-CD1 3.76Å; V2296-L2352 HydrophobicContact CG1-CD1 3.79Å; V2296-L2352 HydrophobicContact CG2-CD1 3.94Å; V2296-L2352 HydrophobicContact CG2-CD2 3.96Å; V2296-L2352 HydrophobicContact CG2-CG 4.5Å; L2348-L2352 WeakPolarHBondContact O-CG 3.39Å; L2348-L2352 PolarHBondContact O-N 2.96Å; N2349-L2352 PolarHBondContact O-N 3.07Å |
| 2353 | L | 76.7 | Confident | 78.4 | Confident | 111 Ų | 111 | 64.9 Ų | 64.9 | 58% | 0.581 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -73.8 | -31.7 | 176.1 | -68.3 | 170.4 | 0 | 0 | 0 | 113 | N2349 N2350 | N2349-L2353 WeakPolarHBondContact O-CG 3.4Å; N2349-L2353 PolarHBondContact O-N 3.48Å; N2350-L2353 PolarHBondContact O-N 2.67Å |
| 2354 | K | 74.2 | Confident | 78 | Confident | 129 Ų | 129 | 64.4 Ų | 64.4 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | trans | -142.7 | 90 | -177.8 | -67.4 | -176.6 | -178.2 | 176.7 | 0 | 110.1 | N2350 V2351 T2356 F2359 | N2350-K2354 WeakPolarHBondContact O-CA 3.49Å; N2350-K2354 PolarHBondContact O-N 3.27Å; V2351-K2354 CarbonylContact O-C 3.59Å; V2351-K2354 VanDerWaalsContact O-C 3.27Å; K2354-T2356 PolarHBondContact O-N 3.1Å; K2354-F2359 HydrophobicContact CB-CD2 4.01Å; K2354-F2359 HydrophobicContact CB-CE2 3.97Å; K2354-F2359 HydrophobicContact CD-CE2 4.08Å; K2354-F2359 WeakPolarHBondContact O-CD2 3.38Å | ||
| 2355 | P | 67.8 | Low | 77.7 | Confident | 87 Ų | 87 | 67.5 Ų | 67.5 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | trans | -76.4 | 53.4 | -177.3 | 31.5 | -36.8 | 0 | 0 | 0 | 113.2 | V2351 | V2351-P2355 VanDerWaalsContact O-CA 3.31Å; V2351-P2355 WeakPolarHBondContact O-CA 3.39Å | ||
| 2356 | T | 72.6 | Confident | 77.3 | Confident | 59 Ų | 59 | 68.4 Ų | 68.4 | 36% | 0.362 | 35% | 0.348 | S | S | . | . | trans | -84.6 | 155.4 | 173.2 | 77.2 | 0 | 0 | 0 | 0 | 111.4 | K2354 E2358 F2359 R2360 | K2354-T2356 PolarHBondContact O-N 3.1Å; T2356-E2358 PolarHBondContact O-N 2.95Å; T2356-F2359 PolarHBondContact O-N 3.48Å; T2356-F2359 WeakPolarHBondContact OG1-CD2 3.3Å; T2356-R2360 PolarHBondContact O-N 2.96Å | ||
| 2357 | Q | 68 | Low | 77 | Confident | 151 Ų | 151 | 66.2 Ų | 66.2 | 71% | 0.706 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.7 | -27 | -179.3 | -161.4 | 168 | 6.9 | 0 | 0 | 112.6 | Q2361 | Q2357-Q2361 WeakPolarHBondContact O-CG 3.4Å; Q2357-Q2361 PolarHBondContact O-N 3.01Å |
| 2358 | E | 70.1 | Confident | 77 | Confident | 146 Ų | 146 | 73 Ų | 73 | 68% | 0.682 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65 | -50.5 | 174.6 | -63.2 | 176 | 148.8 | 0 | 0 | 111.9 | T2356 R2360 Q2361 M2362 | T2356-E2358 PolarHBondContact O-N 2.95Å; E2358-R2360 VanDerWaalsContact C-N 3.31Å; E2358-R2360 PolarHBondContact O-N 3.3Å; E2358-Q2361 PolarHBondContact O-N 2.98Å; E2358-Q2361 VanDerWaalsContact O-N 3.12Å; E2358-M2362 PolarHBondContact O-N 3.11Å; E2358-M2362 VanDerWaalsContact O-N 3.12Å |
| 2359 | F | 68.8 | Low | 77 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 22% | 0.219 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 178.2 | -72.5 | -66.6 | 0 | 0 | 0 | 111.8 | N2350 V2351 K2354 T2356 Q2361 M2362 | N2350-F2359 HydrophobicContact CB-CD1 4.08Å; N2350-F2359 HydrophobicContact CB-CE1 4.25Å; V2351-F2359 HydrophobicContact CG2-CB 3.7Å; K2354-F2359 HydrophobicContact CB-CD2 4.01Å; K2354-F2359 HydrophobicContact CB-CE2 3.97Å; K2354-F2359 HydrophobicContact CD-CE2 4.08Å; K2354-F2359 WeakPolarHBondContact O-CD2 3.38Å; T2356-F2359 PolarHBondContact O-N 3.48Å; T2356-F2359 WeakPolarHBondContact OG1-CD2 3.3Å; F2359-Q2361 VanDerWaalsContact C-N 3.35Å; F2359-Q2361 PolarHBondContact O-N 3.32Å; F2359-M2362 HydrophobicContact CD1-CE 3.32Å; F2359-M2362 HydrophobicContact CE1-CE 3.65Å; F2359-M2362 HydrophobicContact CG-CE 4.35Å; F2359-M2362 PolarHBondContact O-N 2.99Å |
| 2360 | R | 71.3 | Confident | 77.1 | Confident | 96 Ų | 96 | 75.8 Ų | 75.8 | 36% | 0.362 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 173.6 | -68 | -176.9 | -178.1 | -136.8 | -1.6 | 112.4 | Q2289 C2291 V2351 T2356 E2358 M2363 | Q2289-R2360 PolarHBondContact O-NH1 2.93Å; C2291-R2360 PolarHBondContact SG-NH2 3.48Å; V2351-R2360 HydrophobicContact CG1-CG 4.09Å; T2356-R2360 PolarHBondContact O-N 2.96Å; E2358-R2360 VanDerWaalsContact C-N 3.31Å; E2358-R2360 PolarHBondContact O-N 3.3Å; R2360-M2363 PolarHBondContact O-N 3.11Å |
| 2361 | Q | 75.8 | Confident | 77.1 | Confident | 131 Ų | 131 | 74.8 Ų | 74.8 | 61% | 0.612 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.1 | -31.8 | 177 | -77.4 | -178.6 | 6.1 | 0 | 0 | 113 | Q2357 E2358 F2359 M2363 T2364 P2365 | Q2357-Q2361 WeakPolarHBondContact O-CG 3.4Å; Q2357-Q2361 PolarHBondContact O-N 3.01Å; E2358-Q2361 PolarHBondContact O-N 2.98Å; E2358-Q2361 VanDerWaalsContact O-N 3.12Å; F2359-Q2361 VanDerWaalsContact C-N 3.35Å; F2359-Q2361 PolarHBondContact O-N 3.32Å; Q2361-M2363 PolarHBondContact O-N 3.41Å; Q2361-T2364 PolarHBondContact O-N 3.48Å; Q2361-P2365 WeakPolarHBondContact O-CD 3.32Å |
| 2362 | M | 77.2 | Confident | 77.3 | Confident | 93 Ų | 93 | 80.3 Ų | 80.3 | 46% | 0.458 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.2 | -17 | 178.3 | -69.8 | -158.5 | -63.7 | 0 | 0 | 114.8 | T2347 E2358 F2359 T2364 P2365 A2366 | T2347-M2362 HydrophobicContact CG2-CB 4.24Å; E2358-M2362 PolarHBondContact O-N 3.11Å; E2358-M2362 VanDerWaalsContact O-N 3.12Å; F2359-M2362 HydrophobicContact CD1-CE 3.32Å; F2359-M2362 HydrophobicContact CE1-CE 3.65Å; F2359-M2362 HydrophobicContact CG-CE 4.35Å; F2359-M2362 PolarHBondContact O-N 2.99Å; M2362-T2364 VanDerWaalsContact C-N 3.33Å; M2362-T2364 PolarHBondContact O-N 3.02Å; M2362-P2365 VanDerWaalsContact O-CD 3.27Å; M2362-P2365 WeakPolarHBondContact O-CD 3.31Å; M2362-P2365 WeakPolarHBondContact O-CG 3.45Å; M2362-A2366 PolarHBondContact O-N 3.3Å |
| 2363 | M | 77.8 | Confident | 77.8 | Confident | 3 Ų | 3 | 79.5 Ų | 79.5 | 2% | 0.015 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.3 | -31.5 | 177.3 | -58.3 | -164.2 | 75.7 | 0 | 0 | 113.2 | A2284 V2285 L2344 T2347 L2348 V2351 R2360 Q2361 S2367 | A2284-M2363 VanDerWaalsContact O-CE 3.29Å; A2284-M2363 WeakPolarHBondContact O-CE 3.48Å; V2285-M2363 HydrophobicContact CG2-CB 4.38Å; L2344-M2363 HydrophobicContact CD1-CE 4.09Å; T2347-M2363 HydrophobicContact CG2-CG 4.16Å; L2348-M2363 HydrophobicContact CB-CE 3.93Å; L2348-M2363 HydrophobicContact CD1-CE 4.01Å; L2348-M2363 HydrophobicContact CG-CE 4.48Å; V2351-M2363 HydrophobicContact CG2-CG 4.31Å; V2351-M2363 HydrophobicContact CG2-SD 4.02Å; R2360-M2363 PolarHBondContact O-N 3.11Å; Q2361-M2363 PolarHBondContact O-N 3.41Å; M2363-S2367 PolarHBondContact O-N 3.37Å |
| 2364 | T | 79.1 | Confident | 78.2 | Confident | 61 Ų | 61 | 74.9 Ų | 74.9 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69 | -45.5 | 179.7 | -54.4 | 0 | 0 | 0 | 0 | 113.9 | Q2361 M2362 S2367 R2368 | Q2361-T2364 PolarHBondContact O-N 3.48Å; M2362-T2364 VanDerWaalsContact C-N 3.33Å; M2362-T2364 PolarHBondContact O-N 3.02Å; T2364-S2367 PolarHBondContact O-OG 3.13Å; T2364-R2368 PolarHBondContact O-N 3.01Å |
| 2365 | P | 81.6 | Confident | 78.6 | Confident | 68 Ų | 68 | 72.7 Ų | 72.7 | 44% | 0.442 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.2 | -35.5 | 172 | 22.9 | -30.8 | 0 | 0 | 0 | 112.5 | Q2361 M2362 S2367 R2368 L2369 | Q2361-P2365 WeakPolarHBondContact O-CD 3.32Å; M2362-P2365 VanDerWaalsContact O-CD 3.27Å; M2362-P2365 WeakPolarHBondContact O-CD 3.31Å; M2362-P2365 WeakPolarHBondContact O-CG 3.45Å; P2365-S2367 PolarHBondContact O-N 3.48Å; P2365-R2368 PolarHBondContact O-N 3.34Å; P2365-L2369 PolarHBondContact O-N 3.32Å; P2365-L2369 VanDerWaalsContact O-N 3.1Å |
| 2366 | A | 79.2 | Confident | 79.4 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2344 M2362 R2368 L2369 I2370 | L2344-A2366 HydrophobicContact CD1-CB 3.84Å; M2362-A2366 PolarHBondContact O-N 3.3Å; A2366-R2368 VanDerWaalsContact C-N 3.31Å; A2366-R2368 PolarHBondContact O-N 3.38Å; A2366-L2369 PolarHBondContact O-N 3.24Å; A2366-I2370 PolarHBondContact O-N 2.78Å |
| 2367 | S | 81.5 | Confident | 80 | Confident | 29 Ų | 29 | 69 Ų | 69 | 20% | 0.203 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.4 | -32.7 | 175.7 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | M2363 T2364 P2365 A2371 | M2363-S2367 PolarHBondContact O-N 3.37Å; T2364-S2367 PolarHBondContact O-OG 3.13Å; P2365-S2367 PolarHBondContact O-N 3.48Å; S2367-A2371 PolarHBondContact O-N 3.47Å; S2367-A2371 VanDerWaalsContact O-N 3.07Å |
| 2368 | R | 84 | Confident | 80.7 | Confident | 168 Ų | 168 | 63.5 Ų | 63.5 | 63% | 0.634 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -69.4 | -37.4 | 174 | -66.4 | 179.5 | -168.3 | 170.5 | 3.9 | 112.8 | T2364 P2365 A2366 I2370 A2371 Q2372 | T2364-R2368 PolarHBondContact O-N 3.01Å; P2365-R2368 PolarHBondContact O-N 3.34Å; A2366-R2368 VanDerWaalsContact C-N 3.31Å; A2366-R2368 PolarHBondContact O-N 3.38Å; R2368-I2370 VanDerWaalsContact C-N 3.34Å; R2368-A2371 PolarHBondContact O-N 3.47Å; R2368-Q2372 WeakPolarHBondContact O-CG 3.23Å; R2368-Q2372 PolarHBondContact O-N 3.4Å |
| 2369 | L | 85.6 | Confident | 81 | Confident | 79 Ų | 79 | 57.9 Ų | 57.9 | 41% | 0.414 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 175.6 | -68.9 | 174 | 0 | 0 | 0 | 111.5 | P2365 A2366 Q2372 A2373 | P2365-L2369 PolarHBondContact O-N 3.32Å; P2365-L2369 VanDerWaalsContact O-N 3.1Å; A2366-L2369 PolarHBondContact O-N 3.24Å; L2369-Q2372 PolarHBondContact O-N 2.94Å; L2369-A2373 PolarHBondContact O-N 3.05Å |
| 2370 | I | 86.8 | Confident | 81.6 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 173.3 | -65.3 | 161.2 | 0 | 0 | 0 | 110.7 | I2277 T2281 K2340 V2341 L2344 A2366 R2368 Q2372 A2373 V2374 | I2277-I2370 HydrophobicContact CG2-CG2 3.6Å; T2281-I2370 HydrophobicContact CG2-CD1 4.23Å; K2340-I2370 HydrophobicContact CB-CG1 3.72Å; V2341-I2370 HydrophobicContact CG2-CD1 4.04Å; V2341-I2370 HydrophobicContact CG2-CG1 4.22Å; V2341-I2370 HydrophobicContact CG2-CG2 4.02Å; L2344-I2370 HydrophobicContact CB-CD1 3.75Å; L2344-I2370 HydrophobicContact CD2-CD1 3.61Å; L2344-I2370 HydrophobicContact CG-CD1 4.25Å; A2366-I2370 PolarHBondContact O-N 2.78Å; R2368-I2370 VanDerWaalsContact C-N 3.34Å; I2370-Q2372 VanDerWaalsContact C-N 3.28Å; I2370-Q2372 PolarHBondContact O-N 2.66Å; I2370-A2373 PolarHBondContact O-N 3.12Å; I2370-V2374 HydrophobicContact CG2-CG2 4.23Å; I2370-V2374 WeakPolarHBondContact O-CB 3.5Å; I2370-V2374 WeakPolarHBondContact O-CG2 3.44Å; I2370-V2374 PolarHBondContact O-N 2.72Å |
| 2371 | A | 82 | Confident | 81.6 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 45% | 0.446 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.4 | -36.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2367 R2368 T2375 | S2367-A2371 PolarHBondContact O-N 3.47Å; S2367-A2371 VanDerWaalsContact O-N 3.07Å; R2368-A2371 PolarHBondContact O-N 3.47Å; A2371-T2375 WeakPolarHBondContact O-CB 3.42Å; A2371-T2375 PolarHBondContact O-N 3.46Å; A2371-T2375 PolarHBondContact O-OG1 2.88Å |
| 2372 | Q | 86.2 | Confident | 81.2 | Confident | 116 Ų | 116 | 50.2 Ų | 50.2 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.6 | -52.2 | 173.2 | -74 | 173.2 | -20.5 | 0 | 0 | 111.8 | R2368 L2369 I2370 V2374 T2375 D2376 | R2368-Q2372 WeakPolarHBondContact O-CG 3.23Å; R2368-Q2372 PolarHBondContact O-N 3.4Å; L2369-Q2372 PolarHBondContact O-N 2.94Å; I2370-Q2372 VanDerWaalsContact C-N 3.28Å; I2370-Q2372 PolarHBondContact O-N 2.66Å; Q2372-V2374 VanDerWaalsContact C-N 3.3Å; Q2372-V2374 PolarHBondContact O-N 3.03Å; Q2372-T2375 WeakPolarHBondContact O-CA 3.32Å; Q2372-T2375 WeakPolarHBondContact O-CB 3.39Å; Q2372-T2375 PolarHBondContact O-N 3.42Å; Q2372-D2376 PolarHBondContact O-N 2.69Å |
| 2373 | A | 86.7 | Confident | 80.8 | Confident | 16 Ų | 16 | 51 Ų | 51 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V2337 L2369 I2370 D2376 L2377 | V2337-A2373 VanDerWaalsContact CG2-C 3.45Å; V2337-A2373 HydrophobicContact CG2-CB 3.67Å; V2337-A2373 WeakPolarHBondContact CG2-O 3.5Å; L2369-A2373 PolarHBondContact O-N 3.05Å; I2370-A2373 PolarHBondContact O-N 3.12Å; A2373-D2376 PolarHBondContact O-N 2.86Å; A2373-L2377 WeakPolarHBondContact O-CB 3.35Å; A2373-L2377 PolarHBondContact O-N 3.19Å |
| 2374 | V | 85.9 | Confident | 80.2 | Confident | 15 Ų | 15 | 52 Ų | 52 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 173.1 | 165 | 0 | 0 | 0 | 0 | 111.5 | T2274 I2277 V2337 I2370 Q2372 L2377 V2378 | T2274-V2374 HydrophobicContact CG2-CG1 4.44Å; I2277-V2374 HydrophobicContact CB-CG2 4.24Å; I2277-V2374 HydrophobicContact CD1-CG2 4.06Å; I2277-V2374 HydrophobicContact CG2-CG2 3.9Å; V2337-V2374 HydrophobicContact CG1-CG2 4.01Å; V2337-V2374 HydrophobicContact CG2-CG2 4.22Å; I2370-V2374 HydrophobicContact CG2-CG2 4.23Å; I2370-V2374 WeakPolarHBondContact O-CB 3.5Å; I2370-V2374 WeakPolarHBondContact O-CG2 3.44Å; I2370-V2374 PolarHBondContact O-N 2.72Å; Q2372-V2374 VanDerWaalsContact C-N 3.3Å; Q2372-V2374 PolarHBondContact O-N 3.03Å; V2374-L2377 PolarHBondContact O-N 3.02Å; V2374-V2378 WeakPolarHBondContact O-CG2 3.47Å; V2374-V2378 PolarHBondContact O-N 3.09Å |
| 2375 | T | 83.4 | Confident | 79.2 | Confident | 83 Ų | 83 | 52 Ų | 52 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 177 | -57 | 0 | 0 | 0 | 0 | 111.5 | A2371 Q2372 A2379 | A2371-T2375 WeakPolarHBondContact O-CB 3.42Å; A2371-T2375 PolarHBondContact O-N 3.46Å; A2371-T2375 PolarHBondContact O-OG1 2.88Å; Q2372-T2375 WeakPolarHBondContact O-CA 3.32Å; Q2372-T2375 WeakPolarHBondContact O-CB 3.39Å; Q2372-T2375 PolarHBondContact O-N 3.42Å; T2375-A2379 WeakPolarHBondContact O-CB 3.44Å; T2375-A2379 PolarHBondContact O-N 3.3Å |
| 2376 | D | 83.3 | Confident | 77.7 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -72.5 | -32.7 | 178.2 | -74.1 | -40.7 | 0 | 0 | 0 | 112.6 | R295 Q2372 A2373 A2379 Q2380 | R295-D2376 IonicContact CZ-OD1 2.74Å; R295-D2376 IonicContact NH1-OD1 2.77Å; R295-D2376 PolarHBondContact NH1-OD1 3.2Å; R295-D2376 IonicContact NH2-OD1 2.82Å; R295-D2376 PolarHBondContact NH2-OD1 2.8Å; Q2372-D2376 PolarHBondContact O-N 2.69Å; A2373-D2376 PolarHBondContact O-N 2.86Å; D2376-A2379 PolarHBondContact O-N 2.96Å; D2376-Q2380 WeakPolarHBondContact O-CG 3.5Å; D2376-Q2380 PolarHBondContact O-N 3Å; D2376-Q2380 VanDerWaalsContact O-N 3.07Å |
| 2377 | L | 85.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.4 | -54.1 | 168.5 | 176.1 | 59.9 | 0 | 0 | 0 | 110.9 | T2274 L2310 A2333 V2337 A2373 V2374 A2379 Q2380 V2381 | T2274-L2377 HydrophobicContact CG2-CD2 4Å; L2310-L2377 HydrophobicContact CD1-CD2 3.84Å; A2333-L2377 HydrophobicContact CB-CB 4.11Å; A2333-L2377 HydrophobicContact CB-CD1 3.89Å; V2337-L2377 HydrophobicContact CG2-CB 4.23Å; V2337-L2377 HydrophobicContact CG2-CD2 4.2Å; A2373-L2377 WeakPolarHBondContact O-CB 3.35Å; A2373-L2377 PolarHBondContact O-N 3.19Å; V2374-L2377 PolarHBondContact O-N 3.02Å; L2377-A2379 PolarHBondContact O-N 3.28Å; L2377-Q2380 WeakPolarHBondContact O-CA 3.32Å; L2377-Q2380 WeakPolarHBondContact O-CB 3.31Å; L2377-Q2380 PolarHBondContact O-N 3.43Å; L2377-V2381 HydrophobicContact CD1-CG2 4.13Å; L2377-V2381 HydrophobicContact CG-CG2 4.41Å; L2377-V2381 WeakPolarHBondContact O-CG2 3.44Å; L2377-V2381 PolarHBondContact O-N 3.43Å |
| 2378 | V | 81.7 | Confident | 74.4 | Confident | 36 Ų | 36 | 60.2 Ų | 60.2 | 22% | 0.218 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -53.8 | -40.5 | 177.2 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | T2274 V2374 Q2380 V2381 D2382 | T2274-V2378 HydrophobicContact CG2-CG2 4.05Å; V2374-V2378 WeakPolarHBondContact O-CG2 3.47Å; V2374-V2378 PolarHBondContact O-N 3.09Å; V2378-Q2380 VanDerWaalsContact C-N 3.35Å; V2378-Q2380 PolarHBondContact O-N 2.88Å; V2378-V2381 PolarHBondContact O-N 2.86Å; V2378-V2381 VanDerWaalsContact O-N 3.11Å; V2378-D2382 PolarHBondContact O-N 3.43Å |
| 2379 | A | 78 | Confident | 72.2 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 22% | 0.223 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.8 | -29.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T2375 D2376 L2377 | T2375-A2379 WeakPolarHBondContact O-CB 3.44Å; T2375-A2379 PolarHBondContact O-N 3.3Å; D2376-A2379 PolarHBondContact O-N 2.96Å; L2377-A2379 PolarHBondContact O-N 3.28Å |
| 2380 | Q | 79.8 | Confident | 70.2 | Confident | 34 Ų | 34 | 57.4 Ų | 57.4 | 16% | 0.159 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -73.5 | -37.2 | 169.1 | -59 | -42.2 | -60.6 | 0 | 0 | 111.7 | R2329 A2333 D2376 L2377 V2378 D2382 L2383 | R2329-Q2380 HydrophobicContact CB-CG 4.36Å; A2333-Q2380 HydrophobicContact CB-CG 4.05Å; D2376-Q2380 WeakPolarHBondContact O-CG 3.5Å; D2376-Q2380 PolarHBondContact O-N 3Å; D2376-Q2380 VanDerWaalsContact O-N 3.07Å; L2377-Q2380 WeakPolarHBondContact O-CA 3.32Å; L2377-Q2380 WeakPolarHBondContact O-CB 3.31Å; L2377-Q2380 PolarHBondContact O-N 3.43Å; V2378-Q2380 VanDerWaalsContact C-N 3.35Å; V2378-Q2380 PolarHBondContact O-N 2.88Å; Q2380-D2382 VanDerWaalsContact C-N 3.34Å; Q2380-D2382 PolarHBondContact O-N 2.87Å; Q2380-L2383 WeakPolarHBondContact O-CB 3.2Å; Q2380-L2383 PolarHBondContact O-N 3.02Å; Q2380-L2383 VanDerWaalsContact O-N 3.1Å |
| 2381 | V | 73.1 | Confident | 67.9 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.1 | -31.6 | -178.9 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | P2267 L2270 I2271 L2377 V2378 L2383 L2384 K2385 | P2267-V2381 HydrophobicContact CB-CG1 3.77Å; P2267-V2381 WeakPolarHBondContact O-CG1 3.25Å; L2270-V2381 HydrophobicContact CB-CG1 4.39Å; L2270-V2381 HydrophobicContact CB-CG2 4.46Å; L2270-V2381 HydrophobicContact CD2-CB 4.5Å; L2270-V2381 HydrophobicContact CD2-CG1 4.28Å; L2270-V2381 HydrophobicContact CD2-CG2 3.35Å; L2270-V2381 HydrophobicContact CG-CG2 3.75Å; I2271-V2381 HydrophobicContact CD1-CB 4.27Å; I2271-V2381 HydrophobicContact CD1-CG1 3.94Å; I2271-V2381 HydrophobicContact CG1-CB 4.01Å; I2271-V2381 HydrophobicContact CG1-CG1 3.75Å; L2377-V2381 HydrophobicContact CD1-CG2 4.13Å; L2377-V2381 HydrophobicContact CG-CG2 4.41Å; L2377-V2381 WeakPolarHBondContact O-CG2 3.44Å; L2377-V2381 PolarHBondContact O-N 3.43Å; V2378-V2381 PolarHBondContact O-N 2.86Å; V2378-V2381 VanDerWaalsContact O-N 3.11Å; V2381-L2383 PolarHBondContact O-N 3.44Å; V2381-L2384 WeakPolarHBondContact O-CB 3.17Å; V2381-L2384 PolarHBondContact O-N 2.9Å; V2381-K2385 PolarHBondContact O-N 3.47Å |
| 2382 | D | 66.9 | Low | 66.1 | Low | 82 Ų | 82 | 61.3 Ų | 61.3 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.7 | 171.4 | -75.3 | -32.6 | 0 | 0 | 0 | 113.3 | V2378 Q2380 K2385 | V2378-D2382 PolarHBondContact O-N 3.43Å; Q2380-D2382 VanDerWaalsContact C-N 3.34Å; Q2380-D2382 PolarHBondContact O-N 2.87Å; D2382-K2385 WeakPolarHBondContact OD1-CE 3.44Å; D2382-K2385 IonicContact OD1-NZ 3.57Å; D2382-K2385 PolarHBondContact OD1-NZ 3.35Å |
| 2383 | L | 68.6 | Low | 64.1 | Low | 110 Ų | 110 | 58.9 Ų | 58.9 | 58% | 0.576 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -15.8 | 169.5 | -59.1 | 172.2 | 0 | 0 | 0 | 113.3 | V2326 Q2380 V2381 | V2326-L2383 HydrophobicContact CG1-CB 3.97Å; Q2380-L2383 WeakPolarHBondContact O-CB 3.2Å; Q2380-L2383 PolarHBondContact O-N 3.02Å; Q2380-L2383 VanDerWaalsContact O-N 3.1Å; V2381-L2383 PolarHBondContact O-N 3.44Å |
| 2384 | L | 64.7 | Low | 62.4 | Low | 25 Ų | 25 | 61.8 Ų | 61.8 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -12.8 | -179.5 | -68.9 | 171.3 | 0 | 0 | 0 | 113.3 | P2267 V2317 V2326 C2330 V2381 G2386 | P2267-L2384 HydrophobicContact CG-CB 4.32Å; V2317-L2384 HydrophobicContact CG1-CD1 3.85Å; V2326-L2384 HydrophobicContact CB-CD2 4.16Å; V2326-L2384 HydrophobicContact CG1-CD2 3.44Å; V2326-L2384 VanDerWaalsContact CG1-CD2 3.44Å; V2326-L2384 HydrophobicContact CG1-CG 3.72Å; C2330-L2384 HydrophobicContact CB-CD1 3.88Å; C2330-L2384 VanDerWaalsContact SG-CD1 3.6Å; V2381-L2384 WeakPolarHBondContact O-CB 3.17Å; V2381-L2384 PolarHBondContact O-N 2.9Å; L2384-G2386 PolarHBondContact O-N 2.92Å |
| 2385 | K | 57.5 | Low | 60.8 | Low | 60 Ų | 60 | 61.6 Ų | 61.6 | 26% | 0.261 | 36% | 0.361 | S | S | . | . | trans | -72.3 | 121.6 | 177 | -71.7 | 173.9 | 179.9 | 165.3 | 0 | 111.3 | P2267 V2381 D2382 | P2267-K2385 HydrophobicContact CB-CG 3.94Å; V2381-K2385 PolarHBondContact O-N 3.47Å; D2382-K2385 WeakPolarHBondContact OD1-CE 3.44Å; D2382-K2385 IonicContact OD1-NZ 3.57Å; D2382-K2385 PolarHBondContact OD1-NZ 3.35Å | ||
| 2386 | G | 51.5 | Low | 59.3 | Low | 51 Ų | 51 | 58.6 Ų | 58.6 | 53% | 0.526 | 35% | 0.345 | S | S | . | . | trans | -68.7 | 175.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L2384 | L2384-G2386 PolarHBondContact O-N 2.92Š| ||
| 2387 | A | 45.2 | Very low | 58.1 | Low | 81 Ų | 81 | 58.9 Ų | 58.9 | 67% | 0.669 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -77.4 | -17.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | W2389 | A2387-W2389 PolarHBondContact O-N 3.49Š|
| 2388 | D | 44.9 | Very low | 57 | Low | 156 Ų | 156 | 62.4 Ų | 62.4 | 83% | 0.834 | 37% | 0.367 | S | S | * | . | trans | -73.5 | 30.9 | -171.6 | -56 | -66.8 | 0 | 0 | 0 | 115.5 | ||||
| 2389 | W | 39.4 | Very low | 56 | Low | 98 Ų | 98 | 60.7 Ų | 60.7 | 37% | 0.371 | 36% | 0.357 | S | S | . | . | trans | -97.6 | 103.9 | -171.9 | -160.5 | 88.4 | 0 | 0 | 0 | 111.8 | E2268 A2387 L2476 | E2268-W2389 PolarHBondContact OE1-NE1 2.9Å; A2387-W2389 PolarHBondContact O-N 3.49Å; W2389-L2476 HydrophobicContact CH2-CB 4.42Å; W2389-L2476 HydrophobicContact CH2-CD2 3.95Å; W2389-L2476 HydrophobicContact CZ2-CD2 3.43Å; W2389-L2476 VanDerWaalsContact CZ2-CD2 3.43Å | ||
| 2390 | V | 42.7 | Very low | 55.4 | Low | 91 Ų | 91 | 62.2 Ų | 62.2 | 55% | 0.552 | 36% | 0.359 | S | S | * | . | trans | -130 | 141 | -177.8 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | F184 P2392 | F184-V2390 HydrophobicContact CB-CG1 4.3Å; F184-V2390 HydrophobicContact CD1-CG1 3.34Å; F184-V2390 HydrophobicContact CE1-CG1 3.98Å; F184-V2390 HydrophobicContact CG-CG1 4.08Å; V2390-P2392 WeakPolarHBondContact O-CD 3.3Å | ||
| 2391 | D | 39.4 | Very low | 54.9 | Low | 75 Ų | 75 | 65.4 Ų | 65.4 | 40% | 0.401 | 38% | 0.377 | S | S | . | . | trans | -92.4 | 109.2 | -162.4 | -172.3 | 9.2 | 0 | 0 | 0 | 113.4 | F184 S2393 L2476 | F184-D2391 HydrophobicContact CE1-CB 4.37Å; F184-D2391 WeakPolarHBondContact CE1-O 3.38Å; F184-D2391 WeakPolarHBondContact CZ-O 3.2Å; D2391-S2393 PolarHBondContact O-N 3.04Å; D2391-L2476 WeakPolarHBondContact OD1-CD1 3.35Å | ||
| 2392 | P | 42.5 | Very low | 54.9 | Low | 63 Ų | 63 | 68.5 Ų | 68.5 | 41% | 0.409 | 39% | 0.392 | S | S | . | . | trans | -80 | 117.4 | -176.3 | -13.6 | 31.2 | 0 | 0 | 0 | 113.2 | V2390 | V2390-P2392 WeakPolarHBondContact O-CD 3.3Š| ||
| 2393 | S | 45.2 | Very low | 55.2 | Low | 66 Ų | 66 | 64.7 Ų | 64.7 | 46% | 0.462 | 37% | 0.371 | S | S | . | . | trans | -67.9 | 141.2 | -171.7 | 53.3 | 0 | 0 | 0 | 0 | 117 | D2391 | D2391-S2393 PolarHBondContact O-N 3.04Š| ||
| 2394 | D | 51.5 | Low | 55.6 | Low | 77 Ų | 77 | 63.2 Ų | 63.2 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | trans | 56.6 | 76.2 | 171.9 | -150 | -19.4 | 0 | 0 | 0 | 118 | A2396 V2397 I2398 | D2394-A2396 VanDerWaalsContact C-N 3.33Å; D2394-A2396 PolarHBondContact O-N 2.57Å; D2394-V2397 PolarHBondContact O-N 3.18Å; D2394-I2398 PolarHBondContact O-N 3.38Å | ||
| 2395 | P | 51.5 | Low | 56.2 | Low | 11 Ų | 11 | 64 Ų | 64 | 7% | 0.071 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.1 | -31.5 | -175.7 | -19.5 | 31.5 | 0 | 0 | 0 | 114.6 | A2399 P2474 Y2481 S2484 | P2395-A2399 WeakPolarHBondContact O-CB 3.25Å; P2395-A2399 PolarHBondContact O-N 3Å; P2395-P2474 HydrophobicContact CG-CB 4.45Å; P2395-P2474 HydrophobicContact CG-CG 4.41Å; P2395-Y2481 HydrophobicContact CB-CD2 4.09Å; P2395-Y2481 HydrophobicContact CB-CE2 4.45Å; P2395-Y2481 HydrophobicContact CG-CD2 3.47Å; P2395-Y2481 VanDerWaalsContact CG-CD2 3.47Å; P2395-Y2481 HydrophobicContact CG-CE2 3.92Å; P2395-S2484 WeakPolarHBondContact CB-OG 3.43Å |
| 2396 | A | 52.6 | Low | 57 | Low | 20 Ų | 20 | 61.6 Ų | 61.6 | 17% | 0.165 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.6 | -39.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D2394 E2400 Q2461 | D2394-A2396 VanDerWaalsContact C-N 3.33Å; D2394-A2396 PolarHBondContact O-N 2.57Å; A2396-E2400 PolarHBondContact O-N 3.25Å; A2396-Q2461 PolarHBondContact O-NE2 3.37Å |
| 2397 | V | 57.2 | Low | 58.1 | Low | 73 Ų | 73 | 59.3 Ų | 59.3 | 44% | 0.442 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.3 | -39.7 | 178.6 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | D2394 N2401 | D2394-V2397 PolarHBondContact O-N 3.18Å; V2397-N2401 WeakPolarHBondContact O-CB 3.41Å; V2397-N2401 PolarHBondContact O-N 3.1Å; V2397-N2401 VanDerWaalsContact O-N 3.09Å; V2397-N2401 PolarHBondContact O-ND2 3.36Å; V2397-N2401 VanDerWaalsContact O-ND2 3.15Å |
| 2398 | I | 62 | Low | 59.7 | Low | 75 Ų | 75 | 58.8 Ų | 58.8 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 174.7 | -62.5 | 169.9 | 0 | 0 | 0 | 109.8 | D2394 E2400 N2401 E2402 I2488 | D2394-I2398 PolarHBondContact O-N 3.38Å; I2398-E2400 PolarHBondContact O-N 3.42Å; I2398-N2401 PolarHBondContact O-N 3.36Å; I2398-E2402 HydrophobicContact CG2-CG 4.01Å; I2398-E2402 VanDerWaalsContact O-CB 3.31Å; I2398-E2402 WeakPolarHBondContact O-CB 3.45Å; I2398-E2402 VanDerWaalsContact O-CG 3.24Å; I2398-E2402 WeakPolarHBondContact O-CG 3.29Å; I2398-E2402 PolarHBondContact O-N 3.01Å; I2398-I2488 HydrophobicContact CG2-CD1 4.13Å |
| 2399 | A | 61 | Low | 61.3 | Low | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | P2395 L2403 I2488 | P2395-A2399 WeakPolarHBondContact O-CB 3.25Å; P2395-A2399 PolarHBondContact O-N 3Å; A2399-L2403 WeakPolarHBondContact O-CB 3.3Å; A2399-L2403 WeakPolarHBondContact O-CD1 3.32Å; A2399-L2403 WeakPolarHBondContact O-CG 3.34Å; A2399-L2403 PolarHBondContact O-N 3.33Å; A2399-I2488 HydrophobicContact CB-CD1 3.82Å; A2399-I2488 HydrophobicContact CB-CG1 3.8Å |
| 2400 | E | 65.4 | Low | 63.2 | Low | 58 Ų | 58 | 49.7 Ų | 49.7 | 27% | 0.271 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | 178.1 | -173.7 | 166.6 | -146.2 | 0 | 0 | 112.2 | A2396 I2398 L2404 R2462 | A2396-E2400 PolarHBondContact O-N 3.25Å; I2398-E2400 PolarHBondContact O-N 3.42Å; E2400-L2404 HydrophobicContact CG-CD1 4.13Å; E2400-L2404 WeakPolarHBondContact O-CB 3.48Å; E2400-L2404 VanDerWaalsContact O-CG 3.31Å; E2400-L2404 WeakPolarHBondContact O-CG 3.43Å; E2400-L2404 PolarHBondContact O-N 3.37Å; E2400-L2404 VanDerWaalsContact O-N 3.08Å; E2400-R2462 IonicContact OE1-CZ 3.87Å; E2400-R2462 IonicContact OE1-NE 2.76Å; E2400-R2462 PolarHBondContact OE1-NE 2.97Å; E2400-R2462 IonicContact OE1-NH2 3.93Å; E2400-R2462 PolarHBondContact OE1-NH2 3.09Å |
| 2401 | N | 69.5 | Low | 64.8 | Low | 101 Ų | 101 | 48.1 Ų | 48.1 | 54% | 0.54 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 177.6 | -75.5 | -32.3 | 0 | 0 | 0 | 112.5 | V2397 I2398 L2404 G2405 | V2397-N2401 WeakPolarHBondContact O-CB 3.41Å; V2397-N2401 PolarHBondContact O-N 3.1Å; V2397-N2401 VanDerWaalsContact O-N 3.09Å; V2397-N2401 PolarHBondContact O-ND2 3.36Å; V2397-N2401 VanDerWaalsContact O-ND2 3.15Å; I2398-N2401 PolarHBondContact O-N 3.36Å; N2401-L2404 PolarHBondContact O-N 3.45Å; N2401-G2405 PolarHBondContact O-N 3.39Å |
| 2402 | E | 73.8 | Confident | 66.4 | Low | 66 Ų | 66 | 47 Ų | 47 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 177.9 | -74.2 | -71.9 | 157.8 | 0 | 0 | 112.2 | I2398 L2404 G2405 A2406 I2488 R2492 | I2398-E2402 HydrophobicContact CG2-CG 4.01Å; I2398-E2402 VanDerWaalsContact O-CB 3.31Å; I2398-E2402 WeakPolarHBondContact O-CB 3.45Å; I2398-E2402 VanDerWaalsContact O-CG 3.24Å; I2398-E2402 WeakPolarHBondContact O-CG 3.29Å; I2398-E2402 PolarHBondContact O-N 3.01Å; E2402-L2404 PolarHBondContact O-N 3.4Å; E2402-G2405 PolarHBondContact O-N 3.3Å; E2402-A2406 WeakPolarHBondContact O-CB 3.44Å; E2402-A2406 PolarHBondContact O-N 2.97Å; E2402-I2488 HydrophobicContact CB-CG1 4.39Å; E2402-I2488 HydrophobicContact CB-CG2 4.16Å; E2402-I2488 HydrophobicContact CG-CG2 4.31Å; E2402-R2492 IonicContact OE1-CZ 3.92Å; E2402-R2492 IonicContact OE1-NH2 3.38Å; E2402-R2492 PolarHBondContact OE1-NH2 3Å; E2402-R2492 IonicContact OE2-CZ 2.62Å; E2402-R2492 IonicContact OE2-NE 3.62Å; E2402-R2492 PolarHBondContact OE2-NE 2.94Å; E2402-R2492 IonicContact OE2-NH2 2.69Å; E2402-R2492 PolarHBondContact OE2-NH2 3.4Å |
| 2403 | L | 72.5 | Confident | 67.8 | Low | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 173.7 | -83.2 | 161.7 | 0 | 0 | 0 | 112.1 | A2399 A2407 V2454 A2457 L2487 A2491 | A2399-L2403 WeakPolarHBondContact O-CB 3.3Å; A2399-L2403 WeakPolarHBondContact O-CD1 3.32Å; A2399-L2403 WeakPolarHBondContact O-CG 3.34Å; A2399-L2403 PolarHBondContact O-N 3.33Å; L2403-A2407 PolarHBondContact O-N 3.38Å; L2403-A2407 VanDerWaalsContact O-N 3.09Å; L2403-V2454 HydrophobicContact CD2-CG1 3.96Å; L2403-V2454 WeakPolarHBondContact O-CG1 3.41Å; L2403-A2457 HydrophobicContact CD2-CB 4.19Å; L2403-L2487 HydrophobicContact CD1-CD2 3.91Å; L2403-L2487 HydrophobicContact CD1-CG 4.28Å; L2403-A2491 HydrophobicContact CD2-CB 3.43Å; L2403-A2491 VanDerWaalsContact CD2-CB 3.43Å; L2403-A2491 HydrophobicContact CG-CB 4.29Å |
| 2404 | L | 78.2 | Confident | 69.1 | Low | 79 Ų | 79 | 42.4 Ų | 42.4 | 41% | 0.414 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.8 | -36.9 | 176.5 | -70.2 | 171 | 0 | 0 | 0 | 112.2 | E2400 N2401 E2402 A2407 S2408 | E2400-L2404 HydrophobicContact CG-CD1 4.13Å; E2400-L2404 WeakPolarHBondContact O-CB 3.48Å; E2400-L2404 VanDerWaalsContact O-CG 3.31Å; E2400-L2404 WeakPolarHBondContact O-CG 3.43Å; E2400-L2404 PolarHBondContact O-N 3.37Å; E2400-L2404 VanDerWaalsContact O-N 3.08Å; N2401-L2404 PolarHBondContact O-N 3.45Å; E2402-L2404 PolarHBondContact O-N 3.4Å; L2404-A2407 PolarHBondContact O-N 3.12Å; L2404-S2408 PolarHBondContact O-N 3.13Å |
| 2405 | G | 75.8 | Confident | 70.1 | Confident | 41 Ų | 41 | 45.5 Ų | 45.5 | 42% | 0.423 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | N2401 E2402 A2407 S2408 S2409 | N2401-G2405 PolarHBondContact O-N 3.39Å; E2402-G2405 PolarHBondContact O-N 3.3Å; G2405-A2407 PolarHBondContact O-N 3.31Å; G2405-S2408 PolarHBondContact O-N 2.6Å; G2405-S2409 PolarHBondContact O-N 3.1Å |
| 2406 | A | 75.5 | Confident | 71 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.3 | -50 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E2402 S2408 S2409 I2410 V2454 A2495 | E2402-A2406 WeakPolarHBondContact O-CB 3.44Å; E2402-A2406 PolarHBondContact O-N 2.97Å; A2406-S2408 VanDerWaalsContact C-N 3.33Å; A2406-S2408 PolarHBondContact O-N 3.37Å; A2406-S2409 WeakPolarHBondContact O-CB 3.5Å; A2406-S2409 PolarHBondContact O-N 3.22Å; A2406-S2409 VanDerWaalsContact O-N 3.17Å; A2406-I2410 WeakPolarHBondContact O-CD1 3.18Å; A2406-I2410 WeakPolarHBondContact O-CG1 3.4Å; A2406-I2410 PolarHBondContact O-N 2.95Å; A2406-V2454 HydrophobicContact CB-CG1 4.32Å; A2406-A2495 HydrophobicContact CB-CB 4.02Å |
| 2407 | A | 75 | Confident | 71.8 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L2403 L2404 G2405 E2411 V2454 K2455 | L2403-A2407 PolarHBondContact O-N 3.38Å; L2403-A2407 VanDerWaalsContact O-N 3.09Å; L2404-A2407 PolarHBondContact O-N 3.12Å; G2405-A2407 PolarHBondContact O-N 3.31Å; A2407-E2411 PolarHBondContact O-N 3.47Å; A2407-V2454 HydrophobicContact CB-CB 4.3Å; A2407-V2454 HydrophobicContact CB-CG1 3.92Å; A2407-K2455 HydrophobicContact CB-CG 4.36Å |
| 2408 | S | 78.8 | Confident | 72.3 | Confident | 71 Ų | 71 | 50.1 Ų | 50.1 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.5 | -34.3 | 176.6 | -171.8 | 0 | 0 | 0 | 0 | 112.7 | L2404 G2405 A2406 A2412 | L2404-S2408 PolarHBondContact O-N 3.13Å; G2405-S2408 PolarHBondContact O-N 2.6Å; A2406-S2408 VanDerWaalsContact C-N 3.33Å; A2406-S2408 PolarHBondContact O-N 3.37Å; S2408-A2412 PolarHBondContact O-N 3.32Å; S2408-A2412 VanDerWaalsContact O-N 3.1Å |
| 2409 | S | 78.1 | Confident | 72.6 | Confident | 60 Ų | 60 | 54.2 Ų | 54.2 | 42% | 0.42 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68 | -44.3 | 176.2 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | G2405 A2406 E2411 A2412 A2413 | G2405-S2409 PolarHBondContact O-N 3.1Å; A2406-S2409 WeakPolarHBondContact O-CB 3.5Å; A2406-S2409 PolarHBondContact O-N 3.22Å; A2406-S2409 VanDerWaalsContact O-N 3.17Å; S2409-E2411 PolarHBondContact O-N 2.92Å; S2409-A2412 WeakPolarHBondContact O-CB 3.29Å; S2409-A2412 PolarHBondContact O-N 2.94Å; S2409-A2412 VanDerWaalsContact O-N 3.1Å; S2409-A2413 PolarHBondContact O-N 3.24Å |
| 2410 | I | 78.4 | Confident | 72.6 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 175.4 | -63.3 | 151.7 | 0 | 0 | 0 | 110.8 | A2406 A2412 A2413 A2414 A2447 V2450 T2451 V2454 A2495 T2498 | A2406-I2410 WeakPolarHBondContact O-CD1 3.18Å; A2406-I2410 WeakPolarHBondContact O-CG1 3.4Å; A2406-I2410 PolarHBondContact O-N 2.95Å; I2410-A2412 VanDerWaalsContact C-N 3.27Å; I2410-A2412 PolarHBondContact O-N 3.2Å; I2410-A2413 PolarHBondContact O-N 3.46Å; I2410-A2414 WeakPolarHBondContact O-CB 3Å; I2410-A2414 PolarHBondContact O-N 2.95Å; I2410-A2447 HydrophobicContact CG2-CB 4.3Å; I2410-A2447 WeakPolarHBondContact CG2-O 3.27Å; I2410-V2450 HydrophobicContact CD1-CG1 3.68Å; I2410-V2450 HydrophobicContact CG1-CG1 4.38Å; I2410-V2450 HydrophobicContact CG2-CG1 4.31Å; I2410-T2451 VanDerWaalsContact CG2-OG1 3.31Å; I2410-T2451 WeakPolarHBondContact CG2-OG1 3.41Å; I2410-V2454 HydrophobicContact CD1-CG2 3.99Å; I2410-A2495 HydrophobicContact CD1-CB 4.17Å; I2410-A2495 HydrophobicContact CG1-CB 4.24Å; I2410-T2498 HydrophobicContact CG1-CG2 4.46Å; I2410-T2498 HydrophobicContact CG2-CG2 3.86Å |
| 2411 | E | 77.7 | Confident | 72.1 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.6 | -29.9 | 174.5 | -79.1 | -170.1 | -169.4 | 0 | 0 | 113.9 | A2407 S2409 R2415 T2451 K2455 | A2407-E2411 PolarHBondContact O-N 3.47Å; S2409-E2411 PolarHBondContact O-N 2.92Å; E2411-R2415 WeakPolarHBondContact O-CB 3.41Å; E2411-R2415 WeakPolarHBondContact O-CG 3.13Å; E2411-R2415 PolarHBondContact O-N 3.19Å; E2411-R2415 VanDerWaalsContact O-N 3.09Å; E2411-R2415 PolarHBondContact O-NE 3.22Å; E2411-R2415 VanDerWaalsContact O-NE 3.12Å; E2411-R2415 IonicContact OE2-NH2 3.12Å; E2411-R2415 PolarHBondContact OE2-NH2 2.93Å; E2411-T2451 HydrophobicContact CG-CG2 3.7Å; E2411-K2455 IonicContact OE1-NZ 2.72Å; E2411-K2455 PolarHBondContact OE1-NZ 3.41Å |
| 2412 | A | 73.1 | Confident | 71.4 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -73.1 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | S2408 S2409 I2410 R2415 K2416 | S2408-A2412 PolarHBondContact O-N 3.32Å; S2408-A2412 VanDerWaalsContact O-N 3.1Å; S2409-A2412 WeakPolarHBondContact O-CB 3.29Å; S2409-A2412 PolarHBondContact O-N 2.94Å; S2409-A2412 VanDerWaalsContact O-N 3.1Å; I2410-A2412 VanDerWaalsContact C-N 3.27Å; I2410-A2412 PolarHBondContact O-N 3.2Å; A2412-R2415 PolarHBondContact O-N 3.3Å; A2412-K2416 PolarHBondContact O-N 3.16Å |
| 2413 | A | 70.9 | Confident | 70.3 | Confident | 9 Ų | 9 | 69.7 Ų | 69.7 | 7% | 0.074 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S2409 I2410 R2415 K2416 L2417 C2502 | S2409-A2413 PolarHBondContact O-N 3.24Å; I2410-A2413 PolarHBondContact O-N 3.46Å; A2413-R2415 VanDerWaalsContact C-N 3.31Å; A2413-R2415 PolarHBondContact O-N 3.42Å; A2413-K2416 WeakPolarHBondContact O-CB 3.26Å; A2413-K2416 PolarHBondContact O-N 2.88Å; A2413-K2416 VanDerWaalsContact O-N 3.15Å; A2413-L2417 PolarHBondContact O-N 2.74Å; A2413-C2502 HydrophobicContact CB-CB 4.24Å |
| 2414 | A | 71.9 | Confident | 69 | Low | 23 Ų | 23 | 75.3 Ų | 75.3 | 19% | 0.19 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.2 | -39 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I2410 A2418 A2447 | I2410-A2414 WeakPolarHBondContact O-CB 3Å; I2410-A2414 PolarHBondContact O-N 2.95Å; A2414-A2418 PolarHBondContact O-N 3.35Å; A2414-A2418 VanDerWaalsContact O-N 3.12Å; A2414-A2447 HydrophobicContact CB-CB 3.9Å |
| 2415 | R | 73.6 | Confident | 66.8 | Low | 142 Ų | 142 | 79.1 Ų | 79.1 | 54% | 0.536 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.1 | -36.1 | 173.9 | -82.7 | -180 | -93.4 | -176.7 | -14.2 | 112.9 | E2411 A2412 A2413 A2418 Q2419 | E2411-R2415 WeakPolarHBondContact O-CB 3.41Å; E2411-R2415 WeakPolarHBondContact O-CG 3.13Å; E2411-R2415 PolarHBondContact O-N 3.19Å; E2411-R2415 VanDerWaalsContact O-N 3.09Å; E2411-R2415 PolarHBondContact O-NE 3.22Å; E2411-R2415 VanDerWaalsContact O-NE 3.12Å; E2411-R2415 IonicContact OE2-NH2 3.12Å; E2411-R2415 PolarHBondContact OE2-NH2 2.93Å; A2412-R2415 PolarHBondContact O-N 3.3Å; A2413-R2415 VanDerWaalsContact C-N 3.31Å; A2413-R2415 PolarHBondContact O-N 3.42Å; R2415-A2418 PolarHBondContact O-N 2.84Å; R2415-Q2419 WeakPolarHBondContact O-CG 3.48Å; R2415-Q2419 PolarHBondContact O-N 3.33Å; R2415-Q2419 VanDerWaalsContact O-N 3.16Å |
| 2416 | K | 69.5 | Low | 65 | Low | 128 Ų | 128 | 82.6 Ų | 82.6 | 56% | 0.557 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.7 | -47.3 | 173.3 | -168.9 | 179.5 | 178.7 | -174.2 | 0 | 110.4 | A2412 A2413 A2418 Q2419 L2420 | A2412-K2416 PolarHBondContact O-N 3.16Å; A2413-K2416 WeakPolarHBondContact O-CB 3.26Å; A2413-K2416 PolarHBondContact O-N 2.88Å; A2413-K2416 VanDerWaalsContact O-N 3.15Å; K2416-A2418 VanDerWaalsContact C-N 3.26Å; K2416-A2418 PolarHBondContact O-N 3.49Å; K2416-Q2419 PolarHBondContact O-N 3.19Å; K2416-Q2419 VanDerWaalsContact O-N 3.11Å; K2416-L2420 PolarHBondContact O-N 3.41Å |
| 2417 | L | 70.1 | Confident | 63 | Low | 4 Ų | 4 | 92.6 Ų | 92.6 | 2% | 0.021 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -58.8 | -33.5 | 173 | -72.5 | 178.2 | 0 | 0 | 0 | 113.5 | A2413 Q2419 L2420 L2440 A2443 C2502 N2506 | A2413-L2417 PolarHBondContact O-N 2.74Å; L2417-Q2419 VanDerWaalsContact C-N 3.34Å; L2417-L2420 HydrophobicContact CD2-CD1 4.11Å; L2417-L2440 HydrophobicContact CD2-CD2 4.4Å; L2417-A2443 HydrophobicContact CD1-CB 4.13Å; L2417-C2502 HydrophobicContact CD1-CB 3.95Å; L2417-C2502 VanDerWaalsContact CD1-SG 3.57Å; L2417-C2502 HydrophobicContact CD2-CB 4.47Å; L2417-C2502 HydrophobicContact CG-CB 4.19Å; L2417-N2506 HydrophobicContact CD2-CB 4.37Å |
| 2418 | A | 67.9 | Low | 60.8 | Low | 69 Ų | 69 | 101.1 Ų | 101.1 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -77.6 | -15.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A2414 R2415 K2416 | A2414-A2418 PolarHBondContact O-N 3.35Å; A2414-A2418 VanDerWaalsContact O-N 3.12Å; R2415-A2418 PolarHBondContact O-N 2.84Å; K2416-A2418 VanDerWaalsContact C-N 3.26Å; K2416-A2418 PolarHBondContact O-N 3.49Å |
| 2419 | Q | 67.2 | Low | 58.6 | Low | 161 Ų | 161 | 102.6 Ų | 102.6 | 75% | 0.752 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -92.8 | -15.8 | 177.2 | -73.2 | 179.5 | -2.4 | 0 | 0 | 113.5 | R2415 K2416 L2417 K2421 | R2415-Q2419 WeakPolarHBondContact O-CG 3.48Å; R2415-Q2419 PolarHBondContact O-N 3.33Å; R2415-Q2419 VanDerWaalsContact O-N 3.16Å; K2416-Q2419 PolarHBondContact O-N 3.19Å; K2416-Q2419 VanDerWaalsContact O-N 3.11Å; L2417-Q2419 VanDerWaalsContact C-N 3.34Å; Q2419-K2421 PolarHBondContact O-N 2.91Å |
| 2420 | L | 61.3 | Low | 56.6 | Low | 56 Ų | 56 | 106.6 Ų | 106.6 | 29% | 0.293 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 121.3 | 177 | -66.7 | 169.2 | 0 | 0 | 0 | 110 | K2416 L2417 N2506 | K2416-L2420 PolarHBondContact O-N 3.41Å; L2417-L2420 HydrophobicContact CD2-CD1 4.11Å; L2420-N2506 HydrophobicContact CD1-CB 4.17Å; L2420-N2506 WeakPolarHBondContact CD1-OD1 3.34Å |
| 2421 | K | 56.4 | Low | 54.4 | Low | 188 Ų | 188 | 114.8 Ų | 114.8 | 82% | 0.817 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 140.5 | 169.9 | -69.7 | -177.8 | 176.7 | -179.9 | 0 | 109.4 | Q2419 | Q2419-K2421 PolarHBondContact O-N 2.91Š|
| 2422 | P | 54 | Low | 52.7 | Low | 109 Ų | 109 | 120.2 Ų | 120.2 | 71% | 0.708 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 151.6 | 164.7 | -24.8 | 34.7 | 0 | 0 | 0 | 111.9 | P2424 | P2422-P2424 WeakPolarHBondContact O-CD 3.14Š|
| 2423 | R | 51.3 | Low | 51.7 | Low | 197 Ų | 197 | 124.2 Ų | 124.2 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | trans | -49.1 | 115.4 | -169.9 | -157.6 | -178.9 | -161.8 | -171.3 | 6.7 | 113.1 | Q2425 | R2423-Q2425 PolarHBondContact O-N 3.05Š| ||
| 2424 | P | 44.2 | Very low | 51.2 | Low | 119 Ų | 119 | 128.6 Ų | 128.6 | 77% | 0.773 | 65% | 0.65 | S | S | * | * | trans | -71.6 | 116 | 166 | 28.5 | -30.8 | 0 | 0 | 0 | 109 | P2422 P2426 | P2422-P2424 WeakPolarHBondContact O-CD 3.14Å; P2424-P2426 WeakPolarHBondContact O-CD 3.29Å | ||
| 2425 | Q | 31.8 | Very low | 50.8 | Low | 158 Ų | 158 | 129.5 Ų | 129.5 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | trans | -63.8 | 140.3 | -167.4 | -65.4 | 177.5 | -11.4 | 0 | 0 | 115.1 | R2423 | R2423-Q2425 PolarHBondContact O-N 3.05Š| ||
| 2426 | P | 39.2 | Very low | 50.5 | Low | 115 Ų | 115 | 126.4 Ų | 126.4 | 75% | 0.747 | 64% | 0.644 | S | S | * | * | trans | -116.6 | 97.3 | 141.4 | 12.9 | 8.6 | 0 | 0 | 0 | 110.8 | P2424 | P2424-P2426 WeakPolarHBondContact O-CD 3.29Š| ||
| 2427 | R | 31.8 | Very low | 50.4 | Low | 220 Ų | 220 | 126.7 Ų | 126.7 | 83% | 0.83 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 43.9 | 111.7 | 158.4 | -67.4 | -175.4 | 174 | 168.3 | -2.4 | 121.3 | ||
| 2428 | E | 29.6 | Very low | 50.4 | Low | 181 Ų | 181 | 130.9 Ų | 130.9 | 85% | 0.846 | 67% | 0.667 | S | S | * | * | trans | 84.7 | 126.2 | 148.6 | -64.1 | 170.2 | -156.9 | 0 | 0 | 118.4 | ||||
| 2429 | A | 31.7 | Very low | 50.7 | Low | 103 Ų | 103 | 127.7 Ų | 127.7 | 85% | 0.851 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 67.8 | 131.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 2430 | D | 37.5 | Very low | 51.1 | Low | 143 Ų | 143 | 120.9 Ų | 120.9 | 77% | 0.765 | 61% | 0.609 | S | S | * | * | cis | -148.1 | 129.4 | 0.7 | -162.4 | 5.4 | 0 | 0 | 0 | 109.5 | M2432 | D2430-M2432 PolarHBondContact O-N 3.05Š| ||
| 2431 | E | 32.6 | Very low | 51.8 | Low | 176 Ų | 176 | 124.7 Ų | 124.7 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | trans | -95.3 | 24.9 | -157.8 | -64.8 | -166.5 | 136.1 | 0 | 0 | 116.6 | ||||
| 2432 | M | 41.7 | Very low | 52.8 | Low | 170 Ų | 170 | 116.2 Ų | 116.2 | 84% | 0.837 | 59% | 0.591 | S | S | * | * | trans | -121.8 | -2.9 | -162.1 | -80.2 | -75.7 | -171.6 | 0 | 0 | 118.9 | D2430 | D2430-M2432 PolarHBondContact O-N 3.05Š| ||
| 2433 | L | 52.4 | Low | 54 | Low | 138 Ų | 138 | 111 Ų | 111 | 72% | 0.723 | 56% | 0.557 | S | S | * | * | trans | -112.9 | 109.9 | -169.1 | -70 | 170.2 | 0 | 0 | 0 | 114.6 | F2435 | L2433-F2435 PolarHBondContact O-N 3.42Š| ||
| 2434 | N | 59.8 | Low | 55.5 | Low | 101 Ų | 101 | 105.8 Ų | 105.8 | 54% | 0.54 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 27.9 | 174.5 | -160.4 | 19 | 0 | 0 | 0 | 113.3 | Q2438 | N2434-Q2438 WeakPolarHBondContact O-CG 3.24Å; N2434-Q2438 PolarHBondContact O-NE2 3.13Å |
| 2435 | F | 62.7 | Low | 57.4 | Low | 41 Ų | 41 | 103.1 Ų | 103.1 | 18% | 0.18 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -85.8 | -43.1 | -169 | 178.8 | -125.4 | 0 | 0 | 0 | 112.4 | L2433 E2437 Q2438 I2439 L2508 A2571 | L2433-F2435 PolarHBondContact O-N 3.42Å; F2435-E2437 PolarHBondContact O-N 3.42Å; F2435-Q2438 PolarHBondContact O-N 3.48Å; F2435-Q2438 VanDerWaalsContact O-N 3.08Å; F2435-I2439 HydrophobicContact CD1-CD1 3.57Å; F2435-I2439 HydrophobicContact CD2-CD1 4.03Å; F2435-I2439 HydrophobicContact CD2-CG1 4.22Å; F2435-I2439 HydrophobicContact CE1-CD1 3.32Å; F2435-I2439 HydrophobicContact CE1-CG1 4.35Å; F2435-I2439 HydrophobicContact CE2-CD1 3.79Å; F2435-I2439 HydrophobicContact CE2-CG1 3.93Å; F2435-I2439 HydrophobicContact CG-CD1 3.93Å; F2435-I2439 HydrophobicContact CZ-CD1 3.44Å; F2435-I2439 VanDerWaalsContact CZ-CD1 3.44Å; F2435-I2439 HydrophobicContact CZ-CG1 4.01Å; F2435-I2439 WeakPolarHBondContact O-CG1 3.37Å; F2435-I2439 PolarHBondContact O-N 3Å; F2435-L2508 HydrophobicContact CE1-CD2 4.49Å; F2435-A2571 HydrophobicContact CD2-CB 4.4Å; F2435-A2571 HydrophobicContact CE1-CB 3.86Å; F2435-A2571 HydrophobicContact CE2-CB 3.59Å; F2435-A2571 HydrophobicContact CZ-CB 3.27Å |
| 2436 | D | 67.2 | Low | 59.9 | Low | 77 Ų | 77 | 95.6 Ų | 95.6 | 41% | 0.412 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54.5 | -41.3 | 176 | -67.2 | -28.9 | 0 | 0 | 0 | 112 | I2439 L2440 V2509 | D2436-I2439 PolarHBondContact O-N 2.79Å; D2436-L2440 WeakPolarHBondContact O-CB 3.34Å; D2436-L2440 WeakPolarHBondContact O-CD1 3.29Å; D2436-L2440 WeakPolarHBondContact O-CG 3.35Å; D2436-L2440 PolarHBondContact O-N 2.93Å; D2436-V2509 HydrophobicContact CB-CG2 4.47Å |
| 2437 | E | 67.9 | Low | 62 | Low | 135 Ų | 135 | 90.1 Ų | 90.1 | 63% | 0.631 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70 | -38.5 | 179.7 | -165.8 | 157.2 | -142.2 | 0 | 0 | 111.5 | F2435 L2440 E2441 | F2435-E2437 PolarHBondContact O-N 3.42Å; E2437-L2440 PolarHBondContact O-N 3.12Å; E2437-E2441 VanDerWaalsContact O-CB 3.32Å; E2437-E2441 WeakPolarHBondContact O-CB 3.42Å; E2437-E2441 PolarHBondContact O-N 3.15Å |
| 2438 | Q | 70.8 | Confident | 64.5 | Low | 92 Ų | 92 | 83.5 Ų | 83.5 | 43% | 0.43 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 173.6 | -71 | 175.5 | 36.2 | 0 | 0 | 112.8 | N2434 F2435 E2441 A2442 | N2434-Q2438 WeakPolarHBondContact O-CG 3.24Å; N2434-Q2438 PolarHBondContact O-NE2 3.13Å; F2435-Q2438 PolarHBondContact O-N 3.48Å; F2435-Q2438 VanDerWaalsContact O-N 3.08Å; Q2438-E2441 PolarHBondContact O-N 2.78Å; Q2438-A2442 VanDerWaalsContact O-CB 3.24Å; Q2438-A2442 WeakPolarHBondContact O-CB 3.37Å; Q2438-A2442 PolarHBondContact O-N 3.06Å |
| 2439 | I | 73 | Confident | 67.1 | Low | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 174.4 | -66.5 | 157.2 | 0 | 0 | 0 | 110.3 | F2435 D2436 E2441 A2442 A2443 A2505 L2508 L2518 | F2435-I2439 HydrophobicContact CD1-CD1 3.57Å; F2435-I2439 HydrophobicContact CD2-CD1 4.03Å; F2435-I2439 HydrophobicContact CD2-CG1 4.22Å; F2435-I2439 HydrophobicContact CE1-CD1 3.32Å; F2435-I2439 HydrophobicContact CE1-CG1 4.35Å; F2435-I2439 HydrophobicContact CE2-CD1 3.79Å; F2435-I2439 HydrophobicContact CE2-CG1 3.93Å; F2435-I2439 HydrophobicContact CG-CD1 3.93Å; F2435-I2439 HydrophobicContact CZ-CD1 3.44Å; F2435-I2439 VanDerWaalsContact CZ-CD1 3.44Å; F2435-I2439 HydrophobicContact CZ-CG1 4.01Å; F2435-I2439 WeakPolarHBondContact O-CG1 3.37Å; F2435-I2439 PolarHBondContact O-N 3Å; D2436-I2439 PolarHBondContact O-N 2.79Å; I2439-E2441 VanDerWaalsContact C-N 3.33Å; I2439-E2441 PolarHBondContact O-N 3Å; I2439-A2442 PolarHBondContact O-N 2.81Å; I2439-A2443 VanDerWaalsContact O-CB 3.28Å; I2439-A2443 WeakPolarHBondContact O-CB 3.32Å; I2439-A2443 PolarHBondContact O-N 3.04Å; I2439-A2505 HydrophobicContact CG2-CB 4.05Å; I2439-L2508 HydrophobicContact CD1-CD2 3.46Å; I2439-L2508 VanDerWaalsContact CD1-CD2 3.46Å; I2439-L2508 HydrophobicContact CD1-CG 4.14Å; I2439-L2508 HydrophobicContact CG1-CD2 4.45Å; I2439-L2518 HydrophobicContact CG1-CD2 4.21Å; I2439-L2518 HydrophobicContact CG2-CD1 4.35Å; I2439-L2518 HydrophobicContact CG2-CD2 4.06Å |
| 2440 | L | 75.4 | Confident | 69.7 | Low | 18 Ų | 18 | 70.6 Ų | 70.6 | 9% | 0.094 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 177.8 | -81.9 | 162.9 | 0 | 0 | 0 | 111.5 | L2417 D2436 E2437 K2444 V2509 | L2417-L2440 HydrophobicContact CD2-CD2 4.4Å; D2436-L2440 WeakPolarHBondContact O-CB 3.34Å; D2436-L2440 WeakPolarHBondContact O-CD1 3.29Å; D2436-L2440 WeakPolarHBondContact O-CG 3.35Å; D2436-L2440 PolarHBondContact O-N 2.93Å; E2437-L2440 PolarHBondContact O-N 3.12Å; L2440-K2444 WeakPolarHBondContact O-CB 3.25Å; L2440-K2444 WeakPolarHBondContact O-CD 3.46Å; L2440-K2444 WeakPolarHBondContact O-CG 3.34Å; L2440-K2444 PolarHBondContact O-N 3.05Å; L2440-V2509 HydrophobicContact CD1-CG1 4.3Å; L2440-V2509 HydrophobicContact CD1-CG2 4Å; L2440-V2509 HydrophobicContact CD2-CG2 4.34Å; L2440-V2509 HydrophobicContact CG-CG2 3.89Å |
| 2441 | E | 76.4 | Confident | 72 | Confident | 135 Ų | 135 | 64.4 Ų | 64.4 | 63% | 0.631 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.9 | -45.5 | 176.2 | -173.3 | 168 | -150.3 | 0 | 0 | 112 | E2437 Q2438 I2439 K2444 S2445 | E2437-E2441 VanDerWaalsContact O-CB 3.32Å; E2437-E2441 WeakPolarHBondContact O-CB 3.42Å; E2437-E2441 PolarHBondContact O-N 3.15Å; Q2438-E2441 PolarHBondContact O-N 2.78Å; I2439-E2441 VanDerWaalsContact C-N 3.33Å; I2439-E2441 PolarHBondContact O-N 3Å; E2441-K2444 PolarHBondContact O-N 3.33Å; E2441-S2445 WeakPolarHBondContact O-CB 3.28Å; E2441-S2445 PolarHBondContact O-N 2.79Å |
| 2442 | A | 76.8 | Confident | 74.4 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q2438 I2439 S2445 I2446 L2564 | Q2438-A2442 VanDerWaalsContact O-CB 3.24Å; Q2438-A2442 WeakPolarHBondContact O-CB 3.37Å; Q2438-A2442 PolarHBondContact O-N 3.06Å; I2439-A2442 PolarHBondContact O-N 2.81Å; A2442-S2445 WeakPolarHBondContact O-CB 3.48Å; A2442-S2445 PolarHBondContact O-N 3.25Å; A2442-I2446 VanDerWaalsContact O-CG1 3.32Å; A2442-I2446 WeakPolarHBondContact O-CG1 3.29Å; A2442-I2446 PolarHBondContact O-N 3.18Å; A2442-L2564 HydrophobicContact CB-CB 4.23Å; A2442-L2564 HydrophobicContact CB-CD1 3.89Å |
| 2443 | A | 81.1 | Confident | 76.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L2417 I2439 I2446 A2447 A2505 | L2417-A2443 HydrophobicContact CD1-CB 4.13Å; I2439-A2443 VanDerWaalsContact O-CB 3.28Å; I2439-A2443 WeakPolarHBondContact O-CB 3.32Å; I2439-A2443 PolarHBondContact O-N 3.04Å; A2443-I2446 PolarHBondContact O-N 2.71Å; A2443-A2447 WeakPolarHBondContact O-CB 3.34Å; A2443-A2447 PolarHBondContact O-N 3.05Å; A2443-A2505 HydrophobicContact CB-CB 4Å |
| 2444 | K | 81.4 | Confident | 78.1 | Confident | 87 Ų | 87 | 43.8 Ų | 43.8 | 38% | 0.378 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 171.6 | -72.8 | 162 | -165.2 | 165.8 | 0 | 111.5 | L2440 E2441 A2447 S2448 | L2440-K2444 WeakPolarHBondContact O-CB 3.25Å; L2440-K2444 WeakPolarHBondContact O-CD 3.46Å; L2440-K2444 WeakPolarHBondContact O-CG 3.34Å; L2440-K2444 PolarHBondContact O-N 3.05Å; E2441-K2444 PolarHBondContact O-N 3.33Å; K2444-A2447 PolarHBondContact O-N 3.48Å; K2444-S2448 WeakPolarHBondContact O-CB 3.49Å; K2444-S2448 PolarHBondContact O-N 2.93Å |
| 2445 | S | 83.4 | Confident | 79.2 | Confident | 62 Ų | 62 | 43.7 Ų | 43.7 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 177.4 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | E2441 A2442 S2448 A2449 | E2441-S2445 WeakPolarHBondContact O-CB 3.28Å; E2441-S2445 PolarHBondContact O-N 2.79Å; A2442-S2445 WeakPolarHBondContact O-CB 3.48Å; A2442-S2445 PolarHBondContact O-N 3.25Å; S2445-S2448 PolarHBondContact O-N 2.99Å; S2445-A2449 WeakPolarHBondContact O-CB 3.24Å; S2445-A2449 PolarHBondContact O-N 3.05Å |
| 2446 | I | 85 | Confident | 80.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -51 | 175.6 | -66 | 162.8 | 0 | 0 | 0 | 110.7 | A2442 A2443 S2448 A2449 V2450 L2501 V2525 A2560 T2561 L2564 | A2442-I2446 VanDerWaalsContact O-CG1 3.32Å; A2442-I2446 WeakPolarHBondContact O-CG1 3.29Å; A2442-I2446 PolarHBondContact O-N 3.18Å; A2443-I2446 PolarHBondContact O-N 2.71Å; I2446-S2448 VanDerWaalsContact C-N 3.27Å; I2446-S2448 PolarHBondContact O-N 3.48Å; I2446-A2449 PolarHBondContact O-N 3.02Å; I2446-V2450 HydrophobicContact CG2-CG2 4.08Å; I2446-V2450 WeakPolarHBondContact O-CB 3.29Å; I2446-V2450 VanDerWaalsContact O-CG2 3.27Å; I2446-V2450 WeakPolarHBondContact O-CG2 3.24Å; I2446-V2450 PolarHBondContact O-N 2.94Å; I2446-L2501 HydrophobicContact CB-CD2 3.92Å; I2446-L2501 HydrophobicContact CD1-CD2 3.71Å; I2446-L2501 HydrophobicContact CG1-CD2 4.41Å; I2446-L2501 HydrophobicContact CG2-CD2 3.51Å; I2446-V2525 HydrophobicContact CG2-CG1 3.75Å; I2446-A2560 HydrophobicContact CG1-CB 3.58Å; I2446-T2561 HydrophobicContact CD1-CG2 3.98Å; I2446-T2561 HydrophobicContact CG1-CG2 4.16Å; I2446-T2561 HydrophobicContact CG2-CG2 4.25Å; I2446-L2564 HydrophobicContact CD1-CB 4.03Å; I2446-L2564 HydrophobicContact CD1-CD2 3.59Å; I2446-L2564 HydrophobicContact CD1-CG 4.47Å |
| 2447 | A | 84.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.7 | -34.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I2410 A2414 A2443 K2444 T2451 T2498 | I2410-A2447 HydrophobicContact CG2-CB 4.3Å; I2410-A2447 WeakPolarHBondContact CG2-O 3.27Å; A2414-A2447 HydrophobicContact CB-CB 3.9Å; A2443-A2447 WeakPolarHBondContact O-CB 3.34Å; A2443-A2447 PolarHBondContact O-N 3.05Å; K2444-A2447 PolarHBondContact O-N 3.48Å; A2447-T2451 WeakPolarHBondContact O-CB 3.49Å; A2447-T2451 PolarHBondContact O-N 2.82Å; A2447-T2451 PolarHBondContact O-OG1 3.04Å; A2447-T2498 HydrophobicContact CB-CG2 4.15Å |
| 2448 | S | 82.9 | Confident | 81.3 | Confident | 81 Ų | 81 | 32.5 Ų | 32.5 | 57% | 0.566 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -67.2 | -48 | 173.3 | -172.8 | 0 | 0 | 0 | 0 | 112.2 | K2444 S2445 I2446 V2450 T2451 A2452 | K2444-S2448 WeakPolarHBondContact O-CB 3.49Å; K2444-S2448 PolarHBondContact O-N 2.93Å; S2445-S2448 PolarHBondContact O-N 2.99Å; I2446-S2448 VanDerWaalsContact C-N 3.27Å; I2446-S2448 PolarHBondContact O-N 3.48Å; S2448-V2450 PolarHBondContact O-N 2.79Å; S2448-T2451 WeakPolarHBondContact O-CB 3.47Å; S2448-T2451 PolarHBondContact O-N 3.18Å; S2448-A2452 PolarHBondContact O-N 3.02Å |
| 2449 | A | 84.8 | Confident | 81.8 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 11% | 0.107 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | S2445 I2446 A2452 L2453 A2556 V2557 | S2445-A2449 WeakPolarHBondContact O-CB 3.24Å; S2445-A2449 PolarHBondContact O-N 3.05Å; I2446-A2449 PolarHBondContact O-N 3.02Å; A2449-A2452 WeakPolarHBondContact O-CB 3.4Å; A2449-A2452 PolarHBondContact O-N 3.5Å; A2449-L2453 WeakPolarHBondContact O-CB 3.35Å; A2449-L2453 PolarHBondContact O-N 3.37Å; A2449-A2556 HydrophobicContact CB-CB 4.18Å; A2449-V2557 HydrophobicContact CB-CB 4.46Å; A2449-V2557 HydrophobicContact CB-CG2 3.56Å |
| 2450 | V | 86.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 174.4 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | I2410 I2446 S2448 A2452 L2453 V2454 V2494 T2498 V2525 V2557 | I2410-V2450 HydrophobicContact CD1-CG1 3.68Å; I2410-V2450 HydrophobicContact CG1-CG1 4.38Å; I2410-V2450 HydrophobicContact CG2-CG1 4.31Å; I2446-V2450 HydrophobicContact CG2-CG2 4.08Å; I2446-V2450 WeakPolarHBondContact O-CB 3.29Å; I2446-V2450 VanDerWaalsContact O-CG2 3.27Å; I2446-V2450 WeakPolarHBondContact O-CG2 3.24Å; I2446-V2450 PolarHBondContact O-N 2.94Å; S2448-V2450 PolarHBondContact O-N 2.79Å; V2450-A2452 VanDerWaalsContact C-N 3.32Å; V2450-A2452 PolarHBondContact O-N 2.99Å; V2450-L2453 WeakPolarHBondContact O-CB 3.28Å; V2450-L2453 PolarHBondContact O-N 2.82Å; V2450-V2454 HydrophobicContact CG1-CG2 4.48Å; V2450-V2454 WeakPolarHBondContact O-CG2 3.46Å; V2450-V2454 PolarHBondContact O-N 3.39Å; V2450-V2494 HydrophobicContact CG1-CG1 3.33Å; V2450-T2498 HydrophobicContact CG1-CG2 4.39Å; V2450-T2498 WeakPolarHBondContact CG1-OG1 3.34Å; V2450-V2525 HydrophobicContact CG2-CG1 3.83Å; V2450-V2557 HydrophobicContact CB-CG2 4.42Å; V2450-V2557 HydrophobicContact CG2-CB 4.47Å; V2450-V2557 HydrophobicContact CG2-CG1 3.88Å; V2450-V2557 HydrophobicContact CG2-CG2 3.66Å |
| 2451 | T | 84.8 | Confident | 81.9 | Confident | 13 Ų | 13 | 29.5 Ų | 29.5 | 8% | 0.08 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -42 | 172.3 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | I2410 E2411 A2447 S2448 K2455 | I2410-T2451 VanDerWaalsContact CG2-OG1 3.31Å; I2410-T2451 WeakPolarHBondContact CG2-OG1 3.41Å; E2411-T2451 HydrophobicContact CG-CG2 3.7Å; A2447-T2451 WeakPolarHBondContact O-CB 3.49Å; A2447-T2451 PolarHBondContact O-N 2.82Å; A2447-T2451 PolarHBondContact O-OG1 3.04Å; S2448-T2451 WeakPolarHBondContact O-CB 3.47Å; S2448-T2451 PolarHBondContact O-N 3.18Å; T2451-K2455 HydrophobicContact CG2-CD 4.19Å; T2451-K2455 WeakPolarHBondContact O-CB 3.48Å; T2451-K2455 WeakPolarHBondContact O-CG 3.32Å; T2451-K2455 PolarHBondContact O-N 3.42Å |
| 2452 | A | 84.4 | Confident | 81.9 | Confident | 51 Ų | 51 | 29.7 Ų | 29.7 | 42% | 0.421 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.7 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | S2448 A2449 V2450 A2456 A2553 | S2448-A2452 PolarHBondContact O-N 3.02Å; A2449-A2452 WeakPolarHBondContact O-CB 3.4Å; A2449-A2452 PolarHBondContact O-N 3.5Å; V2450-A2452 VanDerWaalsContact C-N 3.32Å; V2450-A2452 PolarHBondContact O-N 2.99Å; A2452-A2456 WeakPolarHBondContact O-CB 3.24Å; A2452-A2456 PolarHBondContact O-N 3.31Å; A2452-A2553 HydrophobicContact CB-CB 4.47Å |
| 2453 | L | 85.6 | Confident | 82 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -51.6 | 175.6 | -179.5 | 76.9 | 0 | 0 | 0 | 111.8 | A2449 V2450 K2455 A2456 A2457 T2529 L2532 L2533 L2550 A2553 | A2449-L2453 WeakPolarHBondContact O-CB 3.35Å; A2449-L2453 PolarHBondContact O-N 3.37Å; V2450-L2453 WeakPolarHBondContact O-CB 3.28Å; V2450-L2453 PolarHBondContact O-N 2.82Å; L2453-K2455 VanDerWaalsContact C-N 3.32Å; L2453-K2455 PolarHBondContact O-N 3.31Å; L2453-A2456 CarbonylContact O-C 3.45Å; L2453-A2456 WeakPolarHBondContact O-CA 3.29Å; L2453-A2456 WeakPolarHBondContact O-CB 3.46Å; L2453-A2456 PolarHBondContact O-N 2.87Å; L2453-A2456 VanDerWaalsContact O-N 3.08Å; L2453-A2457 PolarHBondContact O-N 3.27Å; L2453-T2529 HydrophobicContact CD2-CG2 3.61Å; L2453-L2532 HydrophobicContact CD2-CD2 3.95Å; L2453-L2532 HydrophobicContact CG-CD2 4.07Å; L2453-L2533 HydrophobicContact CD1-CD2 4.18Å; L2453-L2550 HydrophobicContact CD1-CD1 3.77Å; L2453-L2550 HydrophobicContact CD1-CG 4.2Å; L2453-L2550 HydrophobicContact CG-CD1 4.44Å; L2453-A2553 HydrophobicContact CB-CB 4.06Å; L2453-A2553 HydrophobicContact CD1-CB 4.16Å |
| 2454 | V | 85.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.4 | -37.8 | -179 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | L2403 A2406 A2407 I2410 V2450 A2456 A2457 S2458 V2494 L2532 | L2403-V2454 HydrophobicContact CD2-CG1 3.96Å; L2403-V2454 WeakPolarHBondContact O-CG1 3.41Å; A2406-V2454 HydrophobicContact CB-CG1 4.32Å; A2407-V2454 HydrophobicContact CB-CB 4.3Å; A2407-V2454 HydrophobicContact CB-CG1 3.92Å; I2410-V2454 HydrophobicContact CD1-CG2 3.99Å; V2450-V2454 HydrophobicContact CG1-CG2 4.48Å; V2450-V2454 WeakPolarHBondContact O-CG2 3.46Å; V2450-V2454 PolarHBondContact O-N 3.39Å; V2454-A2456 VanDerWaalsContact C-N 3.35Å; V2454-A2456 PolarHBondContact O-N 2.96Å; V2454-A2457 PolarHBondContact O-N 3.21Å; V2454-S2458 PolarHBondContact O-N 2.81Å; V2454-V2494 HydrophobicContact CG2-CG1 4.06Å; V2454-L2532 HydrophobicContact CG2-CD2 4.37Å |
| 2455 | K | 83.5 | Confident | 81.2 | Confident | 99 Ų | 99 | 29.4 Ų | 29.4 | 43% | 0.43 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 172.3 | -72.4 | 174.4 | -176.6 | 173.8 | 0 | 112.7 | A2407 E2411 T2451 L2453 A2459 | A2407-K2455 HydrophobicContact CB-CG 4.36Å; E2411-K2455 IonicContact OE1-NZ 2.72Å; E2411-K2455 PolarHBondContact OE1-NZ 3.41Å; T2451-K2455 HydrophobicContact CG2-CD 4.19Å; T2451-K2455 WeakPolarHBondContact O-CB 3.48Å; T2451-K2455 WeakPolarHBondContact O-CG 3.32Å; T2451-K2455 PolarHBondContact O-N 3.42Å; L2453-K2455 VanDerWaalsContact C-N 3.32Å; L2453-K2455 PolarHBondContact O-N 3.31Å; K2455-A2459 WeakPolarHBondContact O-CB 3.29Å; K2455-A2459 PolarHBondContact O-N 3.07Å; K2455-A2459 VanDerWaalsContact O-N 3.1Å |
| 2456 | A | 82.4 | Confident | 80.6 | Confident | 12 Ų | 12 | 31 Ų | 31 | 10% | 0.099 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.5 | -34.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2452 L2453 V2454 A2459 A2460 V2546 L2550 | A2452-A2456 WeakPolarHBondContact O-CB 3.24Å; A2452-A2456 PolarHBondContact O-N 3.31Å; L2453-A2456 CarbonylContact O-C 3.45Å; L2453-A2456 WeakPolarHBondContact O-CA 3.29Å; L2453-A2456 WeakPolarHBondContact O-CB 3.46Å; L2453-A2456 PolarHBondContact O-N 2.87Å; L2453-A2456 VanDerWaalsContact O-N 3.08Å; V2454-A2456 VanDerWaalsContact C-N 3.35Å; V2454-A2456 PolarHBondContact O-N 2.96Å; A2456-A2459 PolarHBondContact O-N 3.17Å; A2456-A2460 WeakPolarHBondContact O-CB 3.47Å; A2456-A2460 PolarHBondContact O-N 3.09Å; A2456-V2546 WeakPolarHBondContact O-CG1 3.44Å; A2456-L2550 HydrophobicContact CB-CB 4.17Å; A2456-L2550 HydrophobicContact CB-CD1 3.83Å |
| 2457 | A | 80.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.1 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2403 L2453 V2454 A2459 A2460 Q2461 L2532 L2550 | L2403-A2457 HydrophobicContact CD2-CB 4.19Å; L2453-A2457 PolarHBondContact O-N 3.27Å; V2454-A2457 PolarHBondContact O-N 3.21Å; A2457-A2459 VanDerWaalsContact C-N 3.31Å; A2457-A2459 PolarHBondContact O-N 3.47Å; A2457-A2460 WeakPolarHBondContact O-CB 3.48Å; A2457-A2460 PolarHBondContact O-N 3.24Å; A2457-Q2461 PolarHBondContact O-N 3.29Å; A2457-L2532 HydrophobicContact CB-CD1 4.15Å; A2457-L2532 HydrophobicContact CB-CD2 4.18Å; A2457-L2532 HydrophobicContact CB-CG 4.31Å; A2457-L2550 HydrophobicContact CB-CD1 3.9Å |
| 2458 | S | 79.4 | Confident | 79 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -43.1 | 170.7 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | V2454 A2460 Q2461 R2462 | V2454-S2458 PolarHBondContact O-N 2.81Å; S2458-A2460 VanDerWaalsContact C-N 3.32Å; S2458-A2460 PolarHBondContact O-N 2.92Å; S2458-Q2461 PolarHBondContact O-N 2.71Å; S2458-R2462 WeakPolarHBondContact O-CB 3.45Å; S2458-R2462 PolarHBondContact O-N 3.42Å |
| 2459 | A | 80.2 | Confident | 78.1 | Confident | 35 Ų | 35 | 40.3 Ų | 40.3 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.4 | -33.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | K2455 A2456 A2457 R2462 E2463 V2546 | K2455-A2459 WeakPolarHBondContact O-CB 3.29Å; K2455-A2459 PolarHBondContact O-N 3.07Å; K2455-A2459 VanDerWaalsContact O-N 3.1Å; A2456-A2459 PolarHBondContact O-N 3.17Å; A2457-A2459 VanDerWaalsContact C-N 3.31Å; A2457-A2459 PolarHBondContact O-N 3.47Å; A2459-R2462 PolarHBondContact O-N 2.85Å; A2459-E2463 WeakPolarHBondContact O-CB 3.43Å; A2459-E2463 PolarHBondContact O-N 3.01Å; A2459-V2546 HydrophobicContact CB-CG1 3.58Å |
| 2460 | A | 76.2 | Confident | 77.1 | Confident | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.5 | -40 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A2456 A2457 S2458 E2463 L2464 V2546 | A2456-A2460 WeakPolarHBondContact O-CB 3.47Å; A2456-A2460 PolarHBondContact O-N 3.09Å; A2457-A2460 WeakPolarHBondContact O-CB 3.48Å; A2457-A2460 PolarHBondContact O-N 3.24Å; S2458-A2460 VanDerWaalsContact C-N 3.32Å; S2458-A2460 PolarHBondContact O-N 2.92Å; A2460-E2463 PolarHBondContact O-N 3.37Å; A2460-L2464 WeakPolarHBondContact O-CB 3.3Å; A2460-L2464 WeakPolarHBondContact O-CG 3.29Å; A2460-L2464 PolarHBondContact O-N 2.88Å; A2460-V2546 HydrophobicContact CB-CG1 4Å |
| 2461 | Q | 74.8 | Confident | 75.7 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | 170.3 | -170.5 | -160.7 | -22.7 | 0 | 0 | 111 | A2396 A2457 S2458 E2463 L2464 V2465 W2483 L2487 | A2396-Q2461 PolarHBondContact O-NE2 3.37Å; A2457-Q2461 PolarHBondContact O-N 3.29Å; S2458-Q2461 PolarHBondContact O-N 2.71Å; Q2461-E2463 VanDerWaalsContact C-N 3.31Å; Q2461-E2463 PolarHBondContact O-N 2.8Å; Q2461-L2464 PolarHBondContact O-N 3.01Å; Q2461-L2464 VanDerWaalsContact O-N 3.17Å; Q2461-V2465 WeakPolarHBondContact O-CG2 3.12Å; Q2461-V2465 PolarHBondContact O-N 2.95Å; Q2461-W2483 HydrophobicContact CB-CH2 4.45Å; Q2461-W2483 HydrophobicContact CG-CH2 4.25Å; Q2461-W2483 HydrophobicContact CG-CZ3 4.19Å; Q2461-L2487 HydrophobicContact CB-CD2 3.91Å; Q2461-L2487 HydrophobicContact CG-CD2 3.96Å |
| 2462 | R | 76.1 | Confident | 74.3 | Confident | 140 Ų | 140 | 47.5 Ų | 47.5 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 178.1 | -163.4 | -175.9 | -64.1 | 149.3 | -0.4 | 112 | E2400 S2458 A2459 S2466 | E2400-R2462 IonicContact OE1-CZ 3.87Å; E2400-R2462 IonicContact OE1-NE 2.76Å; E2400-R2462 PolarHBondContact OE1-NE 2.97Å; E2400-R2462 IonicContact OE1-NH2 3.93Å; E2400-R2462 PolarHBondContact OE1-NH2 3.09Å; S2458-R2462 WeakPolarHBondContact O-CB 3.45Å; S2458-R2462 PolarHBondContact O-N 3.42Å; A2459-R2462 PolarHBondContact O-N 2.85Å; R2462-S2466 VanDerWaalsContact O-CB 3.31Å; R2462-S2466 WeakPolarHBondContact O-CB 3.17Å; R2462-S2466 PolarHBondContact O-N 3.38Å; R2462-S2466 PolarHBondContact O-OG 3.05Å |
| 2463 | E | 78.6 | Confident | 72.8 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 171.9 | -178.8 | 175.8 | -148.2 | 0 | 0 | 111.1 | A2459 A2460 Q2461 V2465 S2466 Q2467 S2544 V2546 | A2459-E2463 WeakPolarHBondContact O-CB 3.43Å; A2459-E2463 PolarHBondContact O-N 3.01Å; A2460-E2463 PolarHBondContact O-N 3.37Å; Q2461-E2463 VanDerWaalsContact C-N 3.31Å; Q2461-E2463 PolarHBondContact O-N 2.8Å; E2463-V2465 PolarHBondContact O-N 2.88Å; E2463-S2466 WeakPolarHBondContact CA-OG 3.43Å; E2463-S2466 CarbonylContact O-C 3.25Å; E2463-S2466 PolarHBondContact O-N 2.9Å; E2463-S2466 VanDerWaalsContact O-N 3.1Å; E2463-S2466 PolarHBondContact O-OG 3.42Å; E2463-Q2467 HydrophobicContact CG-CG 4.17Å; E2463-Q2467 WeakPolarHBondContact O-CB 3.32Å; E2463-Q2467 WeakPolarHBondContact O-CG 3.45Å; E2463-Q2467 PolarHBondContact O-N 3.04Å; E2463-Q2467 PolarHBondContact OE1-NE2 3.41Å; E2463-S2544 VanDerWaalsContact CD-OG 3.24Å; E2463-S2544 PolarHBondContact OE1-OG 2.66Å; E2463-S2544 WeakPolarHBondContact OE2-CB 3.28Å; E2463-S2544 PolarHBondContact OE2-OG 3.1Å; E2463-V2546 HydrophobicContact CB-CG2 4.39Å; E2463-V2546 WeakPolarHBondContact OE2-CB 3.36Å; E2463-V2546 VanDerWaalsContact OE2-CG2 3.32Å; E2463-V2546 WeakPolarHBondContact OE2-CG2 3.5Å |
| 2464 | L | 73.6 | Confident | 71.1 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | -178.9 | -79.3 | 168.4 | 0 | 0 | 0 | 113.8 | A2460 Q2461 Q2467 G2468 R2469 V2470 W2483 K2539 A2540 | A2460-L2464 WeakPolarHBondContact O-CB 3.3Å; A2460-L2464 WeakPolarHBondContact O-CG 3.29Å; A2460-L2464 PolarHBondContact O-N 2.88Å; Q2461-L2464 PolarHBondContact O-N 3.01Å; Q2461-L2464 VanDerWaalsContact O-N 3.17Å; L2464-Q2467 PolarHBondContact O-N 2.92Å; L2464-G2468 PolarHBondContact O-N 3.19Å; L2464-R2469 HydrophobicContact CD2-CB 3.77Å; L2464-R2469 HydrophobicContact CD2-CG 4.45Å; L2464-R2469 PolarHBondContact O-N 3.42Å; L2464-R2469 VanDerWaalsContact O-N 3.07Å; L2464-V2470 HydrophobicContact CB-CG2 3.9Å; L2464-W2483 HydrophobicContact CD1-CH2 3.33Å; L2464-W2483 HydrophobicContact CD1-CZ2 3.43Å; L2464-W2483 VanDerWaalsContact CD1-CZ2 3.43Å; L2464-W2483 HydrophobicContact CD1-CZ3 4.26Å; L2464-K2539 HydrophobicContact CD1-CB 4.44Å; L2464-K2539 HydrophobicContact CD2-CB 4.11Å; L2464-K2539 WeakPolarHBondContact CD2-O 3.35Å; L2464-A2540 HydrophobicContact CD1-CB 4.46Å |
| 2465 | V | 72.2 | Confident | 69.4 | Low | 48 Ų | 48 | 60 Ų | 60 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 172.5 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | Q2461 E2463 Q2467 G2468 V2470 | Q2461-V2465 WeakPolarHBondContact O-CG2 3.12Å; Q2461-V2465 PolarHBondContact O-N 2.95Å; E2463-V2465 PolarHBondContact O-N 2.88Å; V2465-Q2467 VanDerWaalsContact C-N 3.3Å; V2465-Q2467 PolarHBondContact O-N 3Å; V2465-G2468 PolarHBondContact O-N 3.07Å; V2465-V2470 HydrophobicContact CG2-CB 4.28Å; V2465-V2470 HydrophobicContact CG2-CG1 4.2Å |
| 2466 | S | 72.3 | Confident | 67.6 | Low | 95 Ų | 95 | 57.7 Ų | 57.7 | 66% | 0.664 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.1 | -26.1 | 178.3 | 76.3 | 0 | 0 | 0 | 0 | 114.5 | R2462 E2463 G2468 | R2462-S2466 VanDerWaalsContact O-CB 3.31Å; R2462-S2466 WeakPolarHBondContact O-CB 3.17Å; R2462-S2466 PolarHBondContact O-N 3.38Å; R2462-S2466 PolarHBondContact O-OG 3.05Å; E2463-S2466 WeakPolarHBondContact CA-OG 3.43Å; E2463-S2466 CarbonylContact O-C 3.25Å; E2463-S2466 PolarHBondContact O-N 2.9Å; E2463-S2466 VanDerWaalsContact O-N 3.1Å; E2463-S2466 PolarHBondContact O-OG 3.42Å; S2466-G2468 VanDerWaalsContact C-N 3.33Å |
| 2467 | Q | 70 | Confident | 65.8 | Low | 89 Ų | 89 | 65 Ų | 65 | 42% | 0.416 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -4.9 | 176.8 | -73.8 | -179 | 3.5 | 0 | 0 | 113.1 | E2463 L2464 V2465 R2469 | E2463-Q2467 HydrophobicContact CG-CG 4.17Å; E2463-Q2467 WeakPolarHBondContact O-CB 3.32Å; E2463-Q2467 WeakPolarHBondContact O-CG 3.45Å; E2463-Q2467 PolarHBondContact O-N 3.04Å; E2463-Q2467 PolarHBondContact OE1-NE2 3.41Å; L2464-Q2467 PolarHBondContact O-N 2.92Å; V2465-Q2467 VanDerWaalsContact C-N 3.3Å; V2465-Q2467 PolarHBondContact O-N 3Å; Q2467-R2469 HydrophobicContact CB-CG 4.32Å; Q2467-R2469 PolarHBondContact O-N 3.01Å |
| 2468 | G | 63.7 | Low | 64.4 | Low | 65 Ų | 65 | 67 Ų | 67 | 67% | 0.67 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 24.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L2464 V2465 S2466 | L2464-G2468 PolarHBondContact O-N 3.19Å; V2465-G2468 PolarHBondContact O-N 3.07Å; S2466-G2468 VanDerWaalsContact C-N 3.33Å |
| 2469 | R | 65.4 | Low | 63.1 | Low | 123 Ų | 123 | 71 Ų | 71 | 46% | 0.464 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -88.9 | -7.3 | 173.8 | -75.3 | -168.6 | 170 | -150.9 | 2.2 | 113.4 | L2464 Q2467 K2539 | L2464-R2469 HydrophobicContact CD2-CB 3.77Å; L2464-R2469 HydrophobicContact CD2-CG 4.45Å; L2464-R2469 PolarHBondContact O-N 3.42Å; L2464-R2469 VanDerWaalsContact O-N 3.07Å; Q2467-R2469 HydrophobicContact CB-CG 4.32Å; Q2467-R2469 PolarHBondContact O-N 3.01Å; R2469-K2539 WeakPolarHBondContact CD-O 3.39Å; R2469-K2539 PolarHBondContact NH1-O 3.02Å |
| 2470 | V | 62.2 | Low | 62.1 | Low | 8 Ų | 8 | 70.3 Ų | 70.3 | 5% | 0.048 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -139.7 | 125.6 | 177.5 | 175 | 0 | 0 | 0 | 0 | 106.5 | L2464 V2465 D2480 W2483 K2539 | L2464-V2470 HydrophobicContact CB-CG2 3.9Å; V2465-V2470 HydrophobicContact CG2-CB 4.28Å; V2465-V2470 HydrophobicContact CG2-CG1 4.2Å; V2470-D2480 WeakPolarHBondContact CA-OD1 3.38Å; V2470-D2480 WeakPolarHBondContact CA-OD2 3.42Å; V2470-D2480 HydrophobicContact CG1-CB 3.93Å; V2470-W2483 HydrophobicContact CG1-CE3 4.4Å; V2470-W2483 HydrophobicContact CG1-CZ3 4.4Å; V2470-W2483 HydrophobicContact CG2-CE3 3.9Å; V2470-W2483 HydrophobicContact CG2-CZ3 3.8Å; V2470-K2539 HydrophobicContact CG2-CD 4.24Å |
| 2471 | D | 58.3 | Low | 61.3 | Low | 87 Ų | 87 | 72 Ų | 72 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | trans | -62.3 | 134.2 | -177.8 | -120.9 | -33.3 | 0 | 0 | 0 | 111.2 | R2473 P2474 D2480 | D2471-R2473 PolarHBondContact O-N 3.33Å; D2471-P2474 VanDerWaalsContact O-CD 3.31Å; D2471-P2474 WeakPolarHBondContact O-CD 3.48Å; D2471-P2474 WeakPolarHBondContact O-CG 3.49Å; D2471-D2480 PolarHBondContact N-OD2 2.92Å | ||
| 2472 | P | 54.6 | Low | 60.5 | Low | 83 Ų | 83 | 75.3 Ų | 75.3 | 54% | 0.539 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -73 | -3.9 | 177.4 | 29.2 | -35.4 | 0 | 0 | 0 | 113.9 | ||
| 2473 | R | 54 | Low | 60 | Low | 215 Ų | 215 | 69.7 Ų | 69.7 | 81% | 0.811 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -142.6 | 74.8 | 169.9 | -70.1 | -173.8 | 176.9 | -179.4 | -2.7 | 110.9 | D2471 T2475 | D2471-R2473 PolarHBondContact O-N 3.33Å; R2473-T2475 PolarHBondContact O-N 2.86Å |
| 2474 | P | 50 | Low | 59.4 | Low | 15 Ų | 15 | 68 Ų | 68 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | trans | -65.5 | 125.1 | 177 | -15.5 | 30.2 | 0 | 0 | 0 | 110.3 | P2395 D2471 T2478 D2480 | P2395-P2474 HydrophobicContact CG-CB 4.45Å; P2395-P2474 HydrophobicContact CG-CG 4.41Å; D2471-P2474 VanDerWaalsContact O-CD 3.31Å; D2471-P2474 WeakPolarHBondContact O-CD 3.48Å; D2471-P2474 WeakPolarHBondContact O-CG 3.49Å; P2474-T2478 VanDerWaalsContact CA-OG1 3.28Å; P2474-T2478 WeakPolarHBondContact CA-OG1 3.21Å; P2474-T2478 WeakPolarHBondContact CB-OG1 3.42Å; P2474-D2480 HydrophobicContact CB-CB 3.98Å; P2474-D2480 HydrophobicContact CG-CB 3.89Å | ||
| 2475 | T | 49.7 | Very low | 59.1 | Low | 82 Ų | 82 | 72 Ų | 72 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | trans | -79 | 158.2 | 161.9 | 60.6 | 0 | 0 | 0 | 0 | 109.2 | R2473 Q2477 T2478 | R2473-T2475 PolarHBondContact O-N 2.86Å; T2475-Q2477 PolarHBondContact O-N 3.27Å; T2475-T2478 PolarHBondContact N-OG1 2.94Å; T2475-T2478 VanDerWaalsContact N-OG1 3.09Å; T2475-T2478 PolarHBondContact O-N 3.21Å; T2475-T2478 PolarHBondContact O-OG1 3.36Å | ||
| 2476 | L | 46.1 | Very low | 59 | Low | 52 Ų | 52 | 71.3 Ų | 71.3 | 27% | 0.272 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -10.6 | -178.6 | -131.2 | 96.1 | 0 | 0 | 0 | 114.7 | W2389 D2391 Y2481 | W2389-L2476 HydrophobicContact CH2-CB 4.42Å; W2389-L2476 HydrophobicContact CH2-CD2 3.95Å; W2389-L2476 HydrophobicContact CZ2-CD2 3.43Å; W2389-L2476 VanDerWaalsContact CZ2-CD2 3.43Å; D2391-L2476 WeakPolarHBondContact OD1-CD1 3.35Å; L2476-Y2481 HydrophobicContact CD1-CD1 4.49Å; L2476-Y2481 HydrophobicContact CD1-CD2 3.85Å; L2476-Y2481 HydrophobicContact CD1-CE1 4.23Å; L2476-Y2481 HydrophobicContact CD1-CE2 3.53Å; L2476-Y2481 HydrophobicContact CD1-CG 4.35Å; L2476-Y2481 HydrophobicContact CG-CD1 4.45Å; L2476-Y2481 HydrophobicContact CG-CD2 4.43Å; L2476-Y2481 HydrophobicContact CG-CE1 4.46Å; L2476-Y2481 HydrophobicContact CG-CE2 4.44Å; L2476-Y2481 HydrophobicContact CG-CG 4.48Å |
| 2477 | Q | 43.9 | Very low | 59.1 | Low | 164 Ų | 164 | 66.8 Ų | 66.8 | 77% | 0.766 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -17 | 175.6 | -61.9 | -176 | -4.1 | 0 | 0 | 114 | K2275 T2475 | K2275-Q2477 PolarHBondContact NZ-O 3.35Å; T2475-Q2477 PolarHBondContact O-N 3.27Å |
| 2478 | T | 51.8 | Low | 59.1 | Low | 43 Ų | 43 | 63 Ų | 63 | 26% | 0.264 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -86.9 | 141.1 | -179.1 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | P2474 T2475 D2480 Y2481 | P2474-T2478 VanDerWaalsContact CA-OG1 3.28Å; P2474-T2478 WeakPolarHBondContact CA-OG1 3.21Å; P2474-T2478 WeakPolarHBondContact CB-OG1 3.42Å; T2475-T2478 PolarHBondContact N-OG1 2.94Å; T2475-T2478 VanDerWaalsContact N-OG1 3.09Å; T2475-T2478 PolarHBondContact O-N 3.21Å; T2475-T2478 PolarHBondContact O-OG1 3.36Å; T2478-D2480 PolarHBondContact O-N 2.9Å; T2478-Y2481 PolarHBondContact O-N 2.96Å |
| 2479 | D | 51.5 | Low | 59.7 | Low | 91 Ų | 91 | 62.8 Ų | 62.8 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.4 | 1.8 | -174.6 | -55.9 | -38.5 | 0 | 0 | 0 | 114 | K2275 K2539 | K2275-D2479 WeakPolarHBondContact CD-OD1 3.39Å; K2275-D2479 IonicContact NZ-OD1 3.44Å; K2275-D2479 PolarHBondContact NZ-OD1 3.23Å; K2275-D2479 IonicContact NZ-OD2 2.8Å; D2479-K2539 PolarHBondContact O-NZ 3.45Å |
| 2480 | D | 59.9 | Low | 60.1 | Low | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.102 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -85.5 | -33.2 | 175.2 | -75.6 | -38.7 | 0 | 0 | 0 | 112.8 | V2470 D2471 P2474 T2478 W2483 S2484 K2539 | V2470-D2480 WeakPolarHBondContact CA-OD1 3.38Å; V2470-D2480 WeakPolarHBondContact CA-OD2 3.42Å; V2470-D2480 HydrophobicContact CG1-CB 3.93Å; D2471-D2480 PolarHBondContact N-OD2 2.92Å; P2474-D2480 HydrophobicContact CB-CB 3.98Å; P2474-D2480 HydrophobicContact CG-CB 3.89Å; T2478-D2480 PolarHBondContact O-N 2.9Å; D2480-W2483 PolarHBondContact O-N 3.4Å; D2480-S2484 PolarHBondContact O-N 3.38Å; D2480-S2484 PolarHBondContact O-OG 2.92Å; D2480-K2539 IonicContact OD1-NZ 3.34Å; D2480-K2539 PolarHBondContact OD1-NZ 3.26Å |
| 2481 | Y | 59.4 | Low | 60.8 | Low | 39 Ų | 39 | 56.6 Ų | 56.6 | 15% | 0.153 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.4 | -55.6 | 175.1 | 178 | -84.5 | 0 | 0 | 0 | 110.6 | P2395 L2476 T2478 W2483 S2484 E2485 | P2395-Y2481 HydrophobicContact CB-CD2 4.09Å; P2395-Y2481 HydrophobicContact CB-CE2 4.45Å; P2395-Y2481 HydrophobicContact CG-CD2 3.47Å; P2395-Y2481 VanDerWaalsContact CG-CD2 3.47Å; P2395-Y2481 HydrophobicContact CG-CE2 3.92Å; L2476-Y2481 HydrophobicContact CD1-CD1 4.49Å; L2476-Y2481 HydrophobicContact CD1-CD2 3.85Å; L2476-Y2481 HydrophobicContact CD1-CE1 4.23Å; L2476-Y2481 HydrophobicContact CD1-CE2 3.53Å; L2476-Y2481 HydrophobicContact CD1-CG 4.35Å; L2476-Y2481 HydrophobicContact CG-CD1 4.45Å; L2476-Y2481 HydrophobicContact CG-CD2 4.43Å; L2476-Y2481 HydrophobicContact CG-CE1 4.46Å; L2476-Y2481 HydrophobicContact CG-CE2 4.44Å; L2476-Y2481 HydrophobicContact CG-CG 4.48Å; T2478-Y2481 PolarHBondContact O-N 2.96Å; Y2481-W2483 VanDerWaalsContact C-N 3.31Å; Y2481-W2483 PolarHBondContact O-N 3.43Å; Y2481-S2484 PolarHBondContact O-N 3.17Å; Y2481-S2484 VanDerWaalsContact O-N 3.11Å; Y2481-S2484 PolarHBondContact O-OG 3.24Å; Y2481-E2485 HydrophobicContact CE1-CG 3.83Å; Y2481-E2485 PolarHBondContact O-N 3.03Å |
| 2482 | Q | 57.7 | Low | 61.7 | Low | 80 Ų | 80 | 58.7 Ų | 58.7 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.8 | -33.6 | -177.5 | -178.9 | -174.9 | -30.6 | 0 | 0 | 112.7 | R2272 G2486 | R2272-Q2482 VanDerWaalsContact CD-NE2 3.35Å; R2272-Q2482 VanDerWaalsContact CG-OE1 3.27Å; Q2482-G2486 PolarHBondContact O-N 3Å |
| 2483 | W | 66.1 | Low | 63 | Low | 22 Ų | 22 | 58.3 Ų | 58.3 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 174.1 | 179.1 | 77.6 | 0 | 0 | 0 | 111 | Q2461 L2464 V2470 D2480 Y2481 G2486 L2487 A2535 K2539 | Q2461-W2483 HydrophobicContact CB-CH2 4.45Å; Q2461-W2483 HydrophobicContact CG-CH2 4.25Å; Q2461-W2483 HydrophobicContact CG-CZ3 4.19Å; L2464-W2483 HydrophobicContact CD1-CH2 3.33Å; L2464-W2483 HydrophobicContact CD1-CZ2 3.43Å; L2464-W2483 VanDerWaalsContact CD1-CZ2 3.43Å; L2464-W2483 HydrophobicContact CD1-CZ3 4.26Å; V2470-W2483 HydrophobicContact CG1-CE3 4.4Å; V2470-W2483 HydrophobicContact CG1-CZ3 4.4Å; V2470-W2483 HydrophobicContact CG2-CE3 3.9Å; V2470-W2483 HydrophobicContact CG2-CZ3 3.8Å; D2480-W2483 PolarHBondContact O-N 3.4Å; Y2481-W2483 VanDerWaalsContact C-N 3.31Å; Y2481-W2483 PolarHBondContact O-N 3.43Å; W2483-G2486 PolarHBondContact O-N 2.87Å; W2483-L2487 HydrophobicContact CH2-CD2 3.86Å; W2483-L2487 HydrophobicContact CZ2-CD2 4.3Å; W2483-L2487 HydrophobicContact CZ3-CD2 4.31Å; W2483-L2487 WeakPolarHBondContact O-CB 3.37Å; W2483-L2487 PolarHBondContact O-N 3.4Å; W2483-A2535 PolarHBondContact NE1-O 3.29Å; W2483-K2539 HydrophobicContact CD2-CD 4.34Å; W2483-K2539 HydrophobicContact CG-CD 4.17Å; W2483-K2539 HydrophobicContact CG-CG 4.44Å |
| 2484 | S | 65.9 | Low | 64.3 | Low | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -41.2 | 175.4 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | P2395 D2480 Y2481 L2487 I2488 | P2395-S2484 WeakPolarHBondContact CB-OG 3.43Å; D2480-S2484 PolarHBondContact O-N 3.38Å; D2480-S2484 PolarHBondContact O-OG 2.92Å; Y2481-S2484 PolarHBondContact O-N 3.17Å; Y2481-S2484 VanDerWaalsContact O-N 3.11Å; Y2481-S2484 PolarHBondContact O-OG 3.24Å; S2484-L2487 WeakPolarHBondContact O-CB 3.25Å; S2484-L2487 PolarHBondContact O-N 3.44Å; S2484-I2488 VanDerWaalsContact O-CG1 3.32Å; S2484-I2488 WeakPolarHBondContact O-CG1 3.47Å; S2484-I2488 PolarHBondContact O-N 3.4Å |
| 2485 | E | 67.3 | Low | 65.7 | Low | 87 Ų | 87 | 48.1 Ų | 48.1 | 41% | 0.407 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 171.9 | -95.4 | -115.3 | 118.4 | 0 | 0 | 112.6 | Y2481 L2487 I2488 S2489 | Y2481-E2485 HydrophobicContact CE1-CG 3.83Å; Y2481-E2485 PolarHBondContact O-N 3.03Å; E2485-L2487 VanDerWaalsContact C-N 3.29Å; E2485-L2487 PolarHBondContact O-N 3.05Å; E2485-I2488 PolarHBondContact O-N 2.9Å; E2485-S2489 VanDerWaalsContact O-CB 3.32Å; E2485-S2489 WeakPolarHBondContact O-CB 3.34Å; E2485-S2489 PolarHBondContact O-N 2.97Å |
| 2486 | G | 68.8 | Low | 67 | Low | 32 Ų | 32 | 46.8 Ų | 46.8 | 33% | 0.33 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.5 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q2482 W2483 A2490 | Q2482-G2486 PolarHBondContact O-N 3Å; W2483-G2486 PolarHBondContact O-N 2.87Å; G2486-A2490 WeakPolarHBondContact O-CB 3.31Å; G2486-A2490 PolarHBondContact O-N 3.44Å |
| 2487 | L | 74.2 | Confident | 68.7 | Low | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -45.3 | 174.9 | -171.7 | 70.8 | 0 | 0 | 0 | 112.1 | L2403 Q2461 W2483 S2484 E2485 A2491 L2532 A2535 C2536 | L2403-L2487 HydrophobicContact CD1-CD2 3.91Å; L2403-L2487 HydrophobicContact CD1-CG 4.28Å; Q2461-L2487 HydrophobicContact CB-CD2 3.91Å; Q2461-L2487 HydrophobicContact CG-CD2 3.96Å; W2483-L2487 HydrophobicContact CH2-CD2 3.86Å; W2483-L2487 HydrophobicContact CZ2-CD2 4.3Å; W2483-L2487 HydrophobicContact CZ3-CD2 4.31Å; W2483-L2487 WeakPolarHBondContact O-CB 3.37Å; W2483-L2487 PolarHBondContact O-N 3.4Å; S2484-L2487 WeakPolarHBondContact O-CB 3.25Å; S2484-L2487 PolarHBondContact O-N 3.44Å; E2485-L2487 VanDerWaalsContact C-N 3.29Å; E2485-L2487 PolarHBondContact O-N 3.05Å; L2487-A2491 WeakPolarHBondContact O-CB 3.43Å; L2487-A2491 PolarHBondContact O-N 3.5Å; L2487-L2532 HydrophobicContact CD1-CD1 3.84Å; L2487-A2535 HydrophobicContact CD1-CB 4.37Å; L2487-C2536 VanDerWaalsContact CD1-SG 3.52Å |
| 2488 | I | 71.4 | Confident | 70.6 | Confident | 11 Ų | 11 | 36.5 Ų | 36.5 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -49.3 | 174.5 | -68.2 | 161.7 | 0 | 0 | 0 | 110.5 | I2398 A2399 E2402 S2484 E2485 A2490 A2491 R2492 | I2398-I2488 HydrophobicContact CG2-CD1 4.13Å; A2399-I2488 HydrophobicContact CB-CD1 3.82Å; A2399-I2488 HydrophobicContact CB-CG1 3.8Å; E2402-I2488 HydrophobicContact CB-CG1 4.39Å; E2402-I2488 HydrophobicContact CB-CG2 4.16Å; E2402-I2488 HydrophobicContact CG-CG2 4.31Å; S2484-I2488 VanDerWaalsContact O-CG1 3.32Å; S2484-I2488 WeakPolarHBondContact O-CG1 3.47Å; S2484-I2488 PolarHBondContact O-N 3.4Å; E2485-I2488 PolarHBondContact O-N 2.9Å; I2488-A2490 PolarHBondContact O-N 2.96Å; I2488-A2491 PolarHBondContact O-N 3.49Å; I2488-R2492 HydrophobicContact CG2-CG 4.29Å; I2488-R2492 WeakPolarHBondContact O-CG 3.39Å; I2488-R2492 PolarHBondContact O-N 3.41Å |
| 2489 | S | 74.5 | Confident | 72.1 | Confident | 59 Ų | 59 | 38.1 Ų | 38.1 | 41% | 0.413 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.1 | -44.9 | -177.3 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | E2485 A2491 R2492 M2493 | E2485-S2489 VanDerWaalsContact O-CB 3.32Å; E2485-S2489 WeakPolarHBondContact O-CB 3.34Å; E2485-S2489 PolarHBondContact O-N 2.97Å; S2489-A2491 PolarHBondContact O-N 3.34Å; S2489-R2492 PolarHBondContact O-N 3.04Å; S2489-M2493 WeakPolarHBondContact O-CE 3.31Å; S2489-M2493 PolarHBondContact O-N 3.33Å; S2489-M2493 WeakPolarHBondContact OG-CE 3.28Å |
| 2490 | A | 75.1 | Confident | 73.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G2486 I2488 M2493 V2494 H2531 L2532 A2535 | G2486-A2490 WeakPolarHBondContact O-CB 3.31Å; G2486-A2490 PolarHBondContact O-N 3.44Å; I2488-A2490 PolarHBondContact O-N 2.96Å; A2490-M2493 PolarHBondContact O-N 3.05Å; A2490-V2494 WeakPolarHBondContact O-CG2 3.47Å; A2490-V2494 PolarHBondContact O-N 3.34Å; A2490-H2531 HydrophobicContact CB-CB 4.47Å; A2490-L2532 HydrophobicContact CB-CB 4.14Å; A2490-L2532 HydrophobicContact CB-CD1 4.05Å; A2490-A2535 HydrophobicContact CB-CB 4.32Å |
| 2491 | A | 76.5 | Confident | 74.6 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.3 | -38.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L2403 L2487 I2488 S2489 V2494 A2495 L2532 | L2403-A2491 HydrophobicContact CD2-CB 3.43Å; L2403-A2491 VanDerWaalsContact CD2-CB 3.43Å; L2403-A2491 HydrophobicContact CG-CB 4.29Å; L2487-A2491 WeakPolarHBondContact O-CB 3.43Å; L2487-A2491 PolarHBondContact O-N 3.5Å; I2488-A2491 PolarHBondContact O-N 3.49Å; S2489-A2491 PolarHBondContact O-N 3.34Å; A2491-V2494 PolarHBondContact O-N 2.83Å; A2491-A2495 PolarHBondContact O-N 2.9Å; A2491-L2532 HydrophobicContact CB-CD1 4.3Å |
| 2492 | R | 78.1 | Confident | 75.8 | Confident | 132 Ų | 132 | 33.7 Ų | 33.7 | 50% | 0.498 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65 | -40.3 | 173.9 | -76.1 | 179.3 | 172.4 | 177.2 | -7 | 111.5 | E2402 I2488 S2489 A2495 A2496 | E2402-R2492 IonicContact OE1-CZ 3.92Å; E2402-R2492 IonicContact OE1-NH2 3.38Å; E2402-R2492 PolarHBondContact OE1-NH2 3Å; E2402-R2492 IonicContact OE2-CZ 2.62Å; E2402-R2492 IonicContact OE2-NE 3.62Å; E2402-R2492 PolarHBondContact OE2-NE 2.94Å; E2402-R2492 IonicContact OE2-NH2 2.69Å; E2402-R2492 PolarHBondContact OE2-NH2 3.4Å; I2488-R2492 HydrophobicContact CG2-CG 4.29Å; I2488-R2492 WeakPolarHBondContact O-CG 3.39Å; I2488-R2492 PolarHBondContact O-N 3.41Å; S2489-R2492 PolarHBondContact O-N 3.04Å; R2492-A2495 PolarHBondContact O-N 3.26Å; R2492-A2496 WeakPolarHBondContact O-CB 3.36Å; R2492-A2496 PolarHBondContact O-N 2.85Å |
| 2493 | M | 80.2 | Confident | 76.6 | Confident | 74 Ų | 74 | 34.9 Ų | 34.9 | 37% | 0.365 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 172 | -79.8 | -177.5 | -93 | 0 | 0 | 112.2 | S2489 A2490 A2495 A2496 A2497 H2531 | S2489-M2493 WeakPolarHBondContact O-CE 3.31Å; S2489-M2493 PolarHBondContact O-N 3.33Å; S2489-M2493 WeakPolarHBondContact OG-CE 3.28Å; A2490-M2493 PolarHBondContact O-N 3.05Å; M2493-A2495 PolarHBondContact O-N 3.46Å; M2493-A2496 PolarHBondContact O-N 3.48Å; M2493-A2497 VanDerWaalsContact O-CB 3.3Å; M2493-A2497 WeakPolarHBondContact O-CB 3.29Å; M2493-A2497 PolarHBondContact O-N 3.3Å; M2493-H2531 WeakPolarHBondContact CE-ND1 3.33Å |
| 2494 | V | 82.9 | Confident | 77 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 174.4 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | V2450 V2454 A2490 A2491 T2498 S2528 L2532 | V2450-V2494 HydrophobicContact CG1-CG1 3.33Å; V2454-V2494 HydrophobicContact CG2-CG1 4.06Å; A2490-V2494 WeakPolarHBondContact O-CG2 3.47Å; A2490-V2494 PolarHBondContact O-N 3.34Å; A2491-V2494 PolarHBondContact O-N 2.83Å; V2494-T2498 WeakPolarHBondContact O-CB 3.44Å; V2494-T2498 PolarHBondContact O-N 3.22Å; V2494-T2498 PolarHBondContact O-OG1 3.27Å; V2494-S2528 VanDerWaalsContact CG2-O 3.23Å; V2494-S2528 WeakPolarHBondContact CG2-O 3.47Å; V2494-L2532 HydrophobicContact CG2-CB 4.08Å; V2494-L2532 HydrophobicContact CG2-CD2 4.13Å |
| 2495 | A | 79.4 | Confident | 77.5 | Confident | 16 Ų | 16 | 33.6 Ų | 33.6 | 13% | 0.132 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.2 | -45.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2406 I2410 A2491 R2492 M2493 T2498 H2499 | A2406-A2495 HydrophobicContact CB-CB 4.02Å; I2410-A2495 HydrophobicContact CD1-CB 4.17Å; I2410-A2495 HydrophobicContact CG1-CB 4.24Å; A2491-A2495 PolarHBondContact O-N 2.9Å; R2492-A2495 PolarHBondContact O-N 3.26Å; M2493-A2495 PolarHBondContact O-N 3.46Å; A2495-T2498 PolarHBondContact O-N 3.31Å; A2495-H2499 PolarHBondContact O-N 2.88Å |
| 2496 | A | 75.8 | Confident | 77.8 | Confident | 54 Ų | 54 | 31 Ų | 31 | 45% | 0.446 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.7 | -48.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | R2492 M2493 T2498 H2499 S2500 | R2492-A2496 WeakPolarHBondContact O-CB 3.36Å; R2492-A2496 PolarHBondContact O-N 2.85Å; M2493-A2496 PolarHBondContact O-N 3.48Å; A2496-T2498 VanDerWaalsContact C-N 3.28Å; A2496-T2498 PolarHBondContact O-N 3.2Å; A2496-H2499 WeakPolarHBondContact O-CA 3.39Å; A2496-H2499 WeakPolarHBondContact O-CB 3.39Å; A2496-H2499 PolarHBondContact O-N 3.45Å; A2496-S2500 PolarHBondContact O-N 3.4Å; A2496-S2500 PolarHBondContact O-OG 3.4Å |
| 2497 | A | 82.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.2 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M2493 H2499 S2500 L2501 Q2524 V2525 | M2493-A2497 VanDerWaalsContact O-CB 3.3Å; M2493-A2497 WeakPolarHBondContact O-CB 3.29Å; M2493-A2497 PolarHBondContact O-N 3.3Å; A2497-H2499 VanDerWaalsContact C-N 3.33Å; A2497-S2500 PolarHBondContact O-N 2.88Å; A2497-L2501 WeakPolarHBondContact O-CB 3.32Å; A2497-L2501 PolarHBondContact O-N 3.17Å; A2497-Q2524 HydrophobicContact CB-CB 4.2Å; A2497-Q2524 HydrophobicContact CB-CG 3.82Å; A2497-V2525 VanDerWaalsContact C-CG2 3.46Å; A2497-V2525 HydrophobicContact CB-CB 4.48Å; A2497-V2525 HydrophobicContact CB-CG2 3.8Å; A2497-V2525 WeakPolarHBondContact O-CG2 3.49Å |
| 2498 | T | 84.5 | Confident | 77.4 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.1 | -32 | 176.4 | -51.2 | 0 | 0 | 0 | 0 | 111.7 | I2410 A2447 V2450 V2494 A2495 A2496 C2502 | I2410-T2498 HydrophobicContact CG1-CG2 4.46Å; I2410-T2498 HydrophobicContact CG2-CG2 3.86Å; A2447-T2498 HydrophobicContact CB-CG2 4.15Å; V2450-T2498 HydrophobicContact CG1-CG2 4.39Å; V2450-T2498 WeakPolarHBondContact CG1-OG1 3.34Å; V2494-T2498 WeakPolarHBondContact O-CB 3.44Å; V2494-T2498 PolarHBondContact O-N 3.22Å; V2494-T2498 PolarHBondContact O-OG1 3.27Å; A2495-T2498 PolarHBondContact O-N 3.31Å; A2496-T2498 VanDerWaalsContact C-N 3.28Å; A2496-T2498 PolarHBondContact O-N 3.2Å; T2498-C2502 PolarHBondContact O-N 3.09Å; T2498-C2502 PolarHBondContact O-SG 2.81Å |
| 2499 | H | 81.6 | Confident | 77.2 | Confident | 77 Ų | 77 | 32 Ų | 32 | 36% | 0.356 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.7 | -50.4 | 171.4 | -155.8 | 84 | 0 | 0 | 0 | 111.1 | A2495 A2496 A2497 L2501 C2502 E2503 | A2495-H2499 PolarHBondContact O-N 2.88Å; A2496-H2499 WeakPolarHBondContact O-CA 3.39Å; A2496-H2499 WeakPolarHBondContact O-CB 3.39Å; A2496-H2499 PolarHBondContact O-N 3.45Å; A2497-H2499 VanDerWaalsContact C-N 3.33Å; H2499-L2501 PolarHBondContact O-N 3.31Å; H2499-C2502 CarbonylContact O-C 3.43Å; H2499-C2502 WeakPolarHBondContact O-CA 3.5Å; H2499-C2502 WeakPolarHBondContact O-CB 3.32Å; H2499-C2502 PolarHBondContact O-N 3.09Å; H2499-E2503 IonicContact CD2-OE1 2.66Å; H2499-E2503 IonicContact CD2-OE2 2.73Å; H2499-E2503 IonicContact NE2-OE1 2.7Å; H2499-E2503 PolarHBondContact O-N 2.78Å |
| 2500 | S | 80.7 | Confident | 76.6 | Confident | 45 Ų | 45 | 33.2 Ų | 33.2 | 32% | 0.315 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -55.9 | -37.2 | 175 | -56.5 | 0 | 0 | 0 | 0 | 112.5 | A2496 A2497 E2503 A2504 | A2496-S2500 PolarHBondContact O-N 3.4Å; A2496-S2500 PolarHBondContact O-OG 3.4Å; A2497-S2500 PolarHBondContact O-N 2.88Å; S2500-E2503 PolarHBondContact O-N 2.67Å; S2500-A2504 VanDerWaalsContact O-CB 3.26Å; S2500-A2504 WeakPolarHBondContact O-CB 3.49Å; S2500-A2504 PolarHBondContact O-N 2.94Å |
| 2501 | L | 84.8 | Confident | 75.7 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 173.1 | 175.6 | 64 | 0 | 0 | 0 | 112.3 | I2446 A2497 H2499 E2503 A2504 A2505 L2518 A2521 V2525 L2564 | I2446-L2501 HydrophobicContact CB-CD2 3.92Å; I2446-L2501 HydrophobicContact CD1-CD2 3.71Å; I2446-L2501 HydrophobicContact CG1-CD2 4.41Å; I2446-L2501 HydrophobicContact CG2-CD2 3.51Å; A2497-L2501 WeakPolarHBondContact O-CB 3.32Å; A2497-L2501 PolarHBondContact O-N 3.17Å; H2499-L2501 PolarHBondContact O-N 3.31Å; L2501-E2503 VanDerWaalsContact C-N 3.3Å; L2501-E2503 PolarHBondContact O-N 3.06Å; L2501-A2504 PolarHBondContact O-N 3.42Å; L2501-A2505 VanDerWaalsContact O-CB 3.29Å; L2501-A2505 WeakPolarHBondContact O-CB 3.46Å; L2501-A2505 PolarHBondContact O-N 2.99Å; L2501-L2518 HydrophobicContact CD1-CD1 3.94Å; L2501-A2521 HydrophobicContact CB-CB 4.18Å; L2501-A2521 HydrophobicContact CD1-CB 4.29Å; L2501-V2525 HydrophobicContact CB-CG2 4.13Å; L2501-V2525 HydrophobicContact CD2-CG2 4.1Å; L2501-L2564 HydrophobicContact CD1-CD2 3.64Å |
| 2502 | C | 82.8 | Confident | 74.7 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -36.2 | 176.1 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | A2413 L2417 T2498 H2499 N2506 | A2413-C2502 HydrophobicContact CB-CB 4.24Å; L2417-C2502 HydrophobicContact CD1-CB 3.95Å; L2417-C2502 VanDerWaalsContact CD1-SG 3.57Å; L2417-C2502 HydrophobicContact CD2-CB 4.47Å; L2417-C2502 HydrophobicContact CG-CB 4.19Å; T2498-C2502 PolarHBondContact O-N 3.09Å; T2498-C2502 PolarHBondContact O-SG 2.81Å; H2499-C2502 CarbonylContact O-C 3.43Å; H2499-C2502 WeakPolarHBondContact O-CA 3.5Å; H2499-C2502 WeakPolarHBondContact O-CB 3.32Å; H2499-C2502 PolarHBondContact O-N 3.09Å; C2502-N2506 WeakPolarHBondContact O-CB 3.42Å; C2502-N2506 PolarHBondContact O-N 3.21Å |
| 2503 | E | 75.7 | Confident | 73.7 | Confident | 105 Ų | 105 | 35.2 Ų | 35.2 | 49% | 0.491 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -72.1 | -42 | 175.2 | -69.3 | -168.9 | 137.9 | 0 | 0 | 112.5 | H2499 S2500 L2501 N2506 A2507 | H2499-E2503 IonicContact CD2-OE1 2.66Å; H2499-E2503 IonicContact CD2-OE2 2.73Å; H2499-E2503 IonicContact NE2-OE1 2.7Å; H2499-E2503 PolarHBondContact O-N 2.78Å; S2500-E2503 PolarHBondContact O-N 2.67Å; L2501-E2503 VanDerWaalsContact C-N 3.3Å; L2501-E2503 PolarHBondContact O-N 3.06Å; E2503-N2506 PolarHBondContact O-N 3.15Å; E2503-A2507 VanDerWaalsContact O-CB 3.26Å; E2503-A2507 WeakPolarHBondContact O-CB 3.42Å; E2503-A2507 PolarHBondContact O-N 3.12Å |
| 2504 | A | 74 | Confident | 72.9 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S2500 L2501 A2507 L2508 K2517 L2518 A2521 | S2500-A2504 VanDerWaalsContact O-CB 3.26Å; S2500-A2504 WeakPolarHBondContact O-CB 3.49Å; S2500-A2504 PolarHBondContact O-N 2.94Å; L2501-A2504 PolarHBondContact O-N 3.42Å; A2504-A2507 PolarHBondContact O-N 2.8Å; A2504-L2508 VanDerWaalsContact O-CB 3.31Å; A2504-L2508 WeakPolarHBondContact O-CB 3.46Å; A2504-L2508 PolarHBondContact O-N 2.85Å; A2504-K2517 HydrophobicContact CB-CG 4.42Å; A2504-L2518 HydrophobicContact CB-CD1 4.26Å; A2504-A2521 HydrophobicContact CB-CB 4.22Å |
| 2505 | A | 75.6 | Confident | 72.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I2439 A2443 L2501 L2508 V2509 L2518 | I2439-A2505 HydrophobicContact CG2-CB 4.05Å; A2443-A2505 HydrophobicContact CB-CB 4Å; L2501-A2505 VanDerWaalsContact O-CB 3.29Å; L2501-A2505 WeakPolarHBondContact O-CB 3.46Å; L2501-A2505 PolarHBondContact O-N 2.99Å; A2505-L2508 PolarHBondContact O-N 2.85Å; A2505-V2509 WeakPolarHBondContact O-CB 3.48Å; A2505-V2509 VanDerWaalsContact O-CG2 3.24Å; A2505-V2509 WeakPolarHBondContact O-CG2 3.36Å; A2505-V2509 PolarHBondContact O-N 3.05Å; A2505-L2518 HydrophobicContact CB-CD1 4.2Å |
| 2506 | N | 73.9 | Confident | 71.5 | Confident | 33 Ų | 33 | 41.9 Ų | 41.9 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 175.1 | 171.4 | 68.3 | 0 | 0 | 0 | 112.3 | L2417 L2420 C2502 E2503 Q2510 | L2417-N2506 HydrophobicContact CD2-CB 4.37Å; L2420-N2506 HydrophobicContact CD1-CB 4.17Å; L2420-N2506 WeakPolarHBondContact CD1-OD1 3.34Å; C2502-N2506 WeakPolarHBondContact O-CB 3.42Å; C2502-N2506 PolarHBondContact O-N 3.21Å; E2503-N2506 PolarHBondContact O-N 3.15Å; N2506-Q2510 PolarHBondContact ND2-NE2 3.45Å; N2506-Q2510 VanDerWaalsContact O-CG 3.24Å; N2506-Q2510 WeakPolarHBondContact O-CG 3.48Å; N2506-Q2510 PolarHBondContact O-N 2.99Å; N2506-Q2510 VanDerWaalsContact O-N 3.12Å; N2506-Q2510 PolarHBondContact OD1-NE2 3.45Å |
| 2507 | A | 66.4 | Low | 71.1 | Confident | 18 Ų | 18 | 45.2 Ų | 45.2 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.5 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E2503 A2504 Q2510 G2511 H2512 A2513 | E2503-A2507 VanDerWaalsContact O-CB 3.26Å; E2503-A2507 WeakPolarHBondContact O-CB 3.42Å; E2503-A2507 PolarHBondContact O-N 3.12Å; A2504-A2507 PolarHBondContact O-N 2.8Å; A2507-Q2510 CarbonylContact O-C 3.58Å; A2507-Q2510 PolarHBondContact O-N 3.32Å; A2507-G2511 PolarHBondContact O-N 3.43Å; A2507-G2511 VanDerWaalsContact O-N 3.09Å; A2507-H2512 HydrophobicContact CB-CB 4.38Å; A2507-H2512 WeakPolarHBondContact O-CA 3.45Å; A2507-H2512 PolarHBondContact O-N 2.84Å; A2507-A2513 HydrophobicContact CB-CB 3.54Å |
| 2508 | L | 68.3 | Low | 71 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 176.5 | -178 | 59.1 | 0 | 0 | 0 | 111.7 | F2435 I2439 A2504 A2505 Q2510 G2511 A2513 E2515 L2518 | F2435-L2508 HydrophobicContact CE1-CD2 4.49Å; I2439-L2508 HydrophobicContact CD1-CD2 3.46Å; I2439-L2508 VanDerWaalsContact CD1-CD2 3.46Å; I2439-L2508 HydrophobicContact CD1-CG 4.14Å; I2439-L2508 HydrophobicContact CG1-CD2 4.45Å; A2504-L2508 VanDerWaalsContact O-CB 3.31Å; A2504-L2508 WeakPolarHBondContact O-CB 3.46Å; A2504-L2508 PolarHBondContact O-N 2.85Å; A2505-L2508 PolarHBondContact O-N 2.85Å; L2508-Q2510 PolarHBondContact O-N 3.01Å; L2508-G2511 WeakPolarHBondContact O-CA 3.45Å; L2508-G2511 PolarHBondContact O-N 3.32Å; L2508-A2513 WeakPolarHBondContact CD1-O 3.35Å; L2508-E2515 WeakPolarHBondContact CD1-OE1 3.33Å; L2508-L2518 HydrophobicContact CD2-CB 4.47Å; L2508-L2518 HydrophobicContact CD2-CD2 3.7Å |
| 2509 | V | 67.4 | Low | 70.6 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 17% | 0.17 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.4 | -24 | 174.5 | 170.4 | 0 | 0 | 0 | 0 | 112.9 | D2436 L2440 A2505 | D2436-V2509 HydrophobicContact CB-CG2 4.47Å; L2440-V2509 HydrophobicContact CD1-CG1 4.3Å; L2440-V2509 HydrophobicContact CD1-CG2 4Å; L2440-V2509 HydrophobicContact CD2-CG2 4.34Å; L2440-V2509 HydrophobicContact CG-CG2 3.89Å; A2505-V2509 WeakPolarHBondContact O-CB 3.48Å; A2505-V2509 VanDerWaalsContact O-CG2 3.24Å; A2505-V2509 WeakPolarHBondContact O-CG2 3.36Å; A2505-V2509 PolarHBondContact O-N 3.05Å |
| 2510 | Q | 62 | Low | 70.2 | Confident | 85 Ų | 85 | 46.3 Ų | 46.3 | 40% | 0.397 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -85.3 | -11.4 | 171.8 | -68.9 | 178.1 | 15 | 0 | 0 | 112.9 | N2506 A2507 L2508 H2512 | N2506-Q2510 PolarHBondContact ND2-NE2 3.45Å; N2506-Q2510 VanDerWaalsContact O-CG 3.24Å; N2506-Q2510 WeakPolarHBondContact O-CG 3.48Å; N2506-Q2510 PolarHBondContact O-N 2.99Å; N2506-Q2510 VanDerWaalsContact O-N 3.12Å; N2506-Q2510 PolarHBondContact OD1-NE2 3.45Å; A2507-Q2510 CarbonylContact O-C 3.58Å; A2507-Q2510 PolarHBondContact O-N 3.32Å; L2508-Q2510 PolarHBondContact O-N 3.01Å; Q2510-H2512 WeakPolarHBondContact CB-ND1 3.42Å; Q2510-H2512 PolarHBondContact O-CE1 3.48Å; Q2510-H2512 PolarHBondContact O-ND1 3.28Å |
| 2511 | G | 56.8 | Low | 70.2 | Confident | 67 Ų | 67 | 44.5 Ų | 44.5 | 69% | 0.691 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 27.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A2507 L2508 | A2507-G2511 PolarHBondContact O-N 3.43Å; A2507-G2511 VanDerWaalsContact O-N 3.09Å; L2508-G2511 WeakPolarHBondContact O-CA 3.45Å; L2508-G2511 PolarHBondContact O-N 3.32Å |
| 2512 | H | 56.2 | Low | 70.1 | Confident | 88 Ų | 88 | 44.4 Ų | 44.4 | 41% | 0.407 | 25% | 0.251 | S | S | . | . | trans | -120.4 | 5.3 | -169.9 | -64.5 | 56 | 0 | 0 | 0 | 114.3 | A2507 Q2510 | A2507-H2512 HydrophobicContact CB-CB 4.38Å; A2507-H2512 WeakPolarHBondContact O-CA 3.45Å; A2507-H2512 PolarHBondContact O-N 2.84Å; Q2510-H2512 WeakPolarHBondContact CB-ND1 3.42Å; Q2510-H2512 PolarHBondContact O-CE1 3.48Å; Q2510-H2512 PolarHBondContact O-ND1 3.28Å | ||
| 2513 | A | 56 | Low | 70 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -145.1 | 155.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A2507 L2508 K2517 | A2507-A2513 HydrophobicContact CB-CB 3.54Å; L2508-A2513 WeakPolarHBondContact CD1-O 3.35Å; A2513-K2517 HydrophobicContact CB-CD 4.19Å |
| 2514 | S | 63.3 | Low | 70.2 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | trans | -88.8 | 158 | 175.8 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | E2516 K2517 L2518 | S2514-E2516 PolarHBondContact O-N 2.92Å; S2514-K2517 WeakPolarHBondContact O-CB 3.37Å; S2514-K2517 PolarHBondContact O-N 3.07Å; S2514-L2518 PolarHBondContact O-N 3.5Å | ||
| 2515 | E | 67.4 | Low | 70.7 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.6 | -34.8 | 174.8 | -66.4 | 62.8 | -142.4 | 0 | 0 | 110.9 | L2508 K2517 L2518 I2519 A2571 I2572 | L2508-E2515 WeakPolarHBondContact CD1-OE1 3.33Å; E2515-K2517 VanDerWaalsContact C-N 3.32Å; E2515-K2517 PolarHBondContact O-N 3.33Å; E2515-L2518 WeakPolarHBondContact O-CB 3.39Å; E2515-L2518 PolarHBondContact O-N 3.32Å; E2515-I2519 WeakPolarHBondContact O-CG1 3.32Å; E2515-I2519 PolarHBondContact O-N 2.83Å; E2515-A2571 HydrophobicContact CG-CB 4.3Å; E2515-I2572 HydrophobicContact CB-CD1 3.71Å; E2515-I2572 HydrophobicContact CB-CG1 3.53Å; E2515-I2572 HydrophobicContact CG-CG1 4.06Å |
| 2516 | E | 65.1 | Low | 70.9 | Confident | 143 Ų | 143 | 48 Ų | 48 | 67% | 0.668 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.7 | -40.9 | 173.3 | -63.9 | -166.7 | 139.7 | 0 | 0 | 112.3 | S2514 L2518 I2519 S2520 I2572 | S2514-E2516 PolarHBondContact O-N 2.92Å; E2516-L2518 VanDerWaalsContact C-N 3.3Å; E2516-L2518 PolarHBondContact O-N 2.84Å; E2516-I2519 PolarHBondContact O-N 3.48Å; E2516-S2520 WeakPolarHBondContact O-CB 3.39Å; E2516-S2520 PolarHBondContact O-N 3.27Å; E2516-I2572 HydrophobicContact CG-CD1 4.44Å |
| 2517 | K | 67.8 | Low | 71 | Confident | 124 Ų | 124 | 47.9 Ų | 47.9 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 177.4 | -169.7 | 175.3 | -179.6 | 177.6 | 0 | 110.7 | A2504 A2513 S2514 E2515 A2521 | A2504-K2517 HydrophobicContact CB-CG 4.42Å; A2513-K2517 HydrophobicContact CB-CD 4.19Å; S2514-K2517 WeakPolarHBondContact O-CB 3.37Å; S2514-K2517 PolarHBondContact O-N 3.07Å; E2515-K2517 VanDerWaalsContact C-N 3.32Å; E2515-K2517 PolarHBondContact O-N 3.33Å; K2517-A2521 WeakPolarHBondContact O-CB 3.45Å; K2517-A2521 PolarHBondContact O-N 3.46Å |
| 2518 | L | 79.8 | Confident | 71.8 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 173.4 | -170.3 | 72.4 | 0 | 0 | 0 | 112 | I2439 L2501 A2504 A2505 L2508 S2514 E2515 E2516 S2520 A2521 A2522 L2564 A2568 | I2439-L2518 HydrophobicContact CG1-CD2 4.21Å; I2439-L2518 HydrophobicContact CG2-CD1 4.35Å; I2439-L2518 HydrophobicContact CG2-CD2 4.06Å; L2501-L2518 HydrophobicContact CD1-CD1 3.94Å; A2504-L2518 HydrophobicContact CB-CD1 4.26Å; A2505-L2518 HydrophobicContact CB-CD1 4.2Å; L2508-L2518 HydrophobicContact CD2-CB 4.47Å; L2508-L2518 HydrophobicContact CD2-CD2 3.7Å; S2514-L2518 PolarHBondContact O-N 3.5Å; E2515-L2518 WeakPolarHBondContact O-CB 3.39Å; E2515-L2518 PolarHBondContact O-N 3.32Å; E2516-L2518 VanDerWaalsContact C-N 3.3Å; E2516-L2518 PolarHBondContact O-N 2.84Å; L2518-S2520 VanDerWaalsContact C-N 3.34Å; L2518-S2520 PolarHBondContact O-N 3.39Å; L2518-A2521 PolarHBondContact O-N 3.32Å; L2518-A2522 WeakPolarHBondContact O-CB 3.41Å; L2518-A2522 PolarHBondContact O-N 2.83Å; L2518-L2564 HydrophobicContact CD1-CD2 4.3Å; L2518-L2564 HydrophobicContact CD2-CD1 3.84Å; L2518-L2564 HydrophobicContact CD2-CG 4.38Å; L2518-L2564 HydrophobicContact CG-CD1 4.36Å; L2518-L2564 HydrophobicContact CG-CD2 4.31Å; L2518-L2564 HydrophobicContact CG-CG 4.41Å; L2518-A2568 HydrophobicContact CD2-CB 4.21Å |
| 2519 | I | 76.8 | Confident | 72.6 | Confident | 24 Ų | 24 | 46.8 Ų | 46.8 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 175.3 | -70.7 | 168.3 | 0 | 0 | 0 | 110.8 | E2515 E2516 A2522 K2523 V2565 A2568 K2569 I2572 | E2515-I2519 WeakPolarHBondContact O-CG1 3.32Å; E2515-I2519 PolarHBondContact O-N 2.83Å; E2516-I2519 PolarHBondContact O-N 3.48Å; I2519-A2522 PolarHBondContact O-N 2.94Å; I2519-K2523 WeakPolarHBondContact O-CB 3.4Å; I2519-K2523 WeakPolarHBondContact O-CG 3.47Å; I2519-K2523 PolarHBondContact O-N 3.02Å; I2519-V2565 HydrophobicContact CG2-CG1 4.2Å; I2519-V2565 HydrophobicContact CG2-CG2 4.35Å; I2519-A2568 HydrophobicContact CD1-CB 3.94Å; I2519-A2568 HydrophobicContact CG1-CB 3.55Å; I2519-K2569 HydrophobicContact CD1-CG 3.97Å; I2519-I2572 HydrophobicContact CD1-CD1 3.53Å |
| 2520 | S | 74.4 | Confident | 73 | Confident | 75 Ų | 75 | 45.5 Ų | 45.5 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.8 | -49.6 | 177.4 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | E2516 L2518 A2522 K2523 Q2524 | E2516-S2520 WeakPolarHBondContact O-CB 3.39Å; E2516-S2520 PolarHBondContact O-N 3.27Å; L2518-S2520 VanDerWaalsContact C-N 3.34Å; L2518-S2520 PolarHBondContact O-N 3.39Å; S2520-A2522 PolarHBondContact O-N 2.82Å; S2520-K2523 PolarHBondContact O-N 3.4Å; S2520-Q2524 WeakPolarHBondContact O-CB 3.48Å; S2520-Q2524 PolarHBondContact O-N 2.98Å |
| 2521 | A | 80 | Confident | 73.9 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 5% | 0.05 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L2501 A2504 K2517 L2518 Q2524 V2525 | L2501-A2521 HydrophobicContact CB-CB 4.18Å; L2501-A2521 HydrophobicContact CD1-CB 4.29Å; A2504-A2521 HydrophobicContact CB-CB 4.22Å; K2517-A2521 WeakPolarHBondContact O-CB 3.45Å; K2517-A2521 PolarHBondContact O-N 3.46Å; L2518-A2521 PolarHBondContact O-N 3.32Å; A2521-Q2524 WeakPolarHBondContact O-CB 3.42Å; A2521-Q2524 PolarHBondContact O-N 2.94Å; A2521-V2525 WeakPolarHBondContact O-CG2 3.28Å; A2521-V2525 PolarHBondContact O-N 2.64Å |
| 2522 | A | 82.3 | Confident | 75.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2518 I2519 S2520 V2525 A2526 T2561 L2564 V2565 | L2518-A2522 WeakPolarHBondContact O-CB 3.41Å; L2518-A2522 PolarHBondContact O-N 2.83Å; I2519-A2522 PolarHBondContact O-N 2.94Å; S2520-A2522 PolarHBondContact O-N 2.82Å; A2522-V2525 PolarHBondContact O-N 3.46Å; A2522-A2526 PolarHBondContact O-N 2.87Å; A2522-A2526 VanDerWaalsContact O-N 3.15Å; A2522-T2561 WeakPolarHBondContact O-CG2 3.25Å; A2522-L2564 HydrophobicContact CB-CD2 4.04Å; A2522-L2564 HydrophobicContact CB-CG 4.39Å; A2522-V2565 HydrophobicContact CB-CG2 3.72Å |
| 2523 | K | 80.4 | Confident | 76.3 | Confident | 91 Ų | 91 | 37.8 Ų | 37.8 | 40% | 0.396 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63 | -39.6 | 172.8 | -77.6 | -167.6 | 172.1 | -142.3 | 0 | 112.2 | D2085 I2519 S2520 V2525 A2526 A2527 V2565 | D2085-K2523 IonicContact OD1-NZ 3.75Å; D2085-K2523 PolarHBondContact OD1-NZ 2.89Å; I2519-K2523 WeakPolarHBondContact O-CB 3.4Å; I2519-K2523 WeakPolarHBondContact O-CG 3.47Å; I2519-K2523 PolarHBondContact O-N 3.02Å; S2520-K2523 PolarHBondContact O-N 3.4Å; K2523-V2525 VanDerWaalsContact C-N 3.32Å; K2523-V2525 PolarHBondContact O-N 3.2Å; K2523-A2526 WeakPolarHBondContact O-CB 3.29Å; K2523-A2526 PolarHBondContact O-N 3.34Å; K2523-A2527 PolarHBondContact O-N 3.25Å; K2523-V2565 HydrophobicContact CG-CG2 4.41Å |
| 2524 | Q | 79.6 | Confident | 77.3 | Confident | 88 Ų | 88 | 38.5 Ų | 38.5 | 41% | 0.411 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.1 | -37.1 | 177.2 | -164 | -175.6 | 3.6 | 0 | 0 | 112.1 | A2497 S2520 A2521 S2528 | A2497-Q2524 HydrophobicContact CB-CB 4.2Å; A2497-Q2524 HydrophobicContact CB-CG 3.82Å; S2520-Q2524 WeakPolarHBondContact O-CB 3.48Å; S2520-Q2524 PolarHBondContact O-N 2.98Å; A2521-Q2524 WeakPolarHBondContact O-CB 3.42Å; A2521-Q2524 PolarHBondContact O-N 2.94Å; Q2524-S2528 VanDerWaalsContact O-CB 3.31Å; Q2524-S2528 WeakPolarHBondContact O-CB 3.46Å; Q2524-S2528 PolarHBondContact O-N 3.47Å; Q2524-S2528 PolarHBondContact O-OG 3.43Å |
| 2525 | V | 85.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 173.1 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | I2446 V2450 A2497 L2501 A2521 A2522 K2523 T2529 V2557 T2561 | I2446-V2525 HydrophobicContact CG2-CG1 3.75Å; V2450-V2525 HydrophobicContact CG2-CG1 3.83Å; A2497-V2525 VanDerWaalsContact C-CG2 3.46Å; A2497-V2525 HydrophobicContact CB-CB 4.48Å; A2497-V2525 HydrophobicContact CB-CG2 3.8Å; A2497-V2525 WeakPolarHBondContact O-CG2 3.49Å; L2501-V2525 HydrophobicContact CB-CG2 4.13Å; L2501-V2525 HydrophobicContact CD2-CG2 4.1Å; A2521-V2525 WeakPolarHBondContact O-CG2 3.28Å; A2521-V2525 PolarHBondContact O-N 2.64Å; A2522-V2525 PolarHBondContact O-N 3.46Å; K2523-V2525 VanDerWaalsContact C-N 3.32Å; K2523-V2525 PolarHBondContact O-N 3.2Å; V2525-T2529 VanDerWaalsContact O-CB 3.24Å; V2525-T2529 WeakPolarHBondContact O-CB 3.34Å; V2525-T2529 PolarHBondContact O-N 3.14Å; V2525-T2529 PolarHBondContact O-OG1 2.66Å; V2525-V2557 HydrophobicContact CG1-CG1 3.85Å; V2525-T2561 HydrophobicContact CB-CG2 4.12Å; V2525-T2561 HydrophobicContact CG1-CG2 3.97Å |
| 2526 | A | 80.2 | Confident | 78.2 | Confident | 12 Ų | 12 | 35 Ų | 35 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A2522 K2523 T2529 A2530 T2561 | A2522-A2526 PolarHBondContact O-N 2.87Å; A2522-A2526 VanDerWaalsContact O-N 3.15Å; K2523-A2526 WeakPolarHBondContact O-CB 3.29Å; K2523-A2526 PolarHBondContact O-N 3.34Å; A2526-T2529 WeakPolarHBondContact O-CB 3.31Å; A2526-T2529 PolarHBondContact O-N 3.38Å; A2526-A2530 PolarHBondContact O-N 2.88Å; A2526-T2561 HydrophobicContact CB-CG2 4.44Å |
| 2527 | A | 75.1 | Confident | 78.6 | Confident | 31 Ų | 31 | 30.6 Ų | 30.6 | 26% | 0.256 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2088 K2523 T2529 A2530 H2531 | T2088-A2527 HydrophobicContact CG2-CB 4.37Å; K2523-A2527 PolarHBondContact O-N 3.25Å; A2527-T2529 VanDerWaalsContact C-N 3.29Å; A2527-T2529 PolarHBondContact O-N 3.05Å; A2527-A2530 PolarHBondContact O-N 2.98Å; A2527-H2531 PolarHBondContact O-N 2.77Å |
| 2528 | S | 83.2 | Confident | 78.6 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 8% | 0.077 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 177.3 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | V2494 Q2524 H2531 L2532 | V2494-S2528 VanDerWaalsContact CG2-O 3.23Å; V2494-S2528 WeakPolarHBondContact CG2-O 3.47Å; Q2524-S2528 VanDerWaalsContact O-CB 3.31Å; Q2524-S2528 WeakPolarHBondContact O-CB 3.46Å; Q2524-S2528 PolarHBondContact O-N 3.47Å; Q2524-S2528 PolarHBondContact O-OG 3.43Å; S2528-H2531 WeakPolarHBondContact O-CB 3.49Å; S2528-H2531 PolarHBondContact O-N 3.02Å; S2528-L2532 PolarHBondContact O-N 3.32Å |
| 2529 | T | 84.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 175.6 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | L2453 V2525 A2526 A2527 H2531 L2532 L2533 V2557 | L2453-T2529 HydrophobicContact CD2-CG2 3.61Å; V2525-T2529 VanDerWaalsContact O-CB 3.24Å; V2525-T2529 WeakPolarHBondContact O-CB 3.34Å; V2525-T2529 PolarHBondContact O-N 3.14Å; V2525-T2529 PolarHBondContact O-OG1 2.66Å; A2526-T2529 WeakPolarHBondContact O-CB 3.31Å; A2526-T2529 PolarHBondContact O-N 3.38Å; A2527-T2529 VanDerWaalsContact C-N 3.29Å; A2527-T2529 PolarHBondContact O-N 3.05Å; T2529-H2531 PolarHBondContact O-N 3.07Å; T2529-L2532 PolarHBondContact O-N 3Å; T2529-L2533 HydrophobicContact CG2-CD1 4.12Å; T2529-L2533 WeakPolarHBondContact O-CG 3.48Å; T2529-L2533 PolarHBondContact O-N 3.18Å; T2529-V2557 HydrophobicContact CG2-CB 4.08Å; T2529-V2557 HydrophobicContact CG2-CG1 4.09Å; T2529-V2557 WeakPolarHBondContact OG1-CG1 3.29Å |
| 2530 | A | 76.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.6 | -38.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M2091 F2092 A2526 A2527 L2533 V2534 | M2091-A2530 HydrophobicContact CB-CB 3.76Å; M2091-A2530 HydrophobicContact CE-CB 4.46Å; F2092-A2530 HydrophobicContact CD1-CB 3.99Å; F2092-A2530 HydrophobicContact CE1-CB 3.77Å; F2092-A2530 HydrophobicContact CE2-CB 4.41Å; F2092-A2530 HydrophobicContact CG-CB 4.42Å; F2092-A2530 HydrophobicContact CZ-CB 4Å; A2526-A2530 PolarHBondContact O-N 2.88Å; A2527-A2530 PolarHBondContact O-N 2.98Å; A2530-L2533 PolarHBondContact O-N 2.96Å; A2530-V2534 WeakPolarHBondContact O-CG2 3.27Å; A2530-V2534 PolarHBondContact O-N 2.96Å |
| 2531 | H | 81.1 | Confident | 77.3 | Confident | 73 Ų | 73 | 30.9 Ų | 30.9 | 34% | 0.338 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.1 | -159.2 | -153 | 0 | 0 | 0 | 112.6 | M2091 A2490 M2493 A2527 S2528 T2529 V2534 A2535 | M2091-H2531 HydrophobicContact CE-CB 3.55Å; A2490-H2531 HydrophobicContact CB-CB 4.47Å; M2493-H2531 WeakPolarHBondContact CE-ND1 3.33Å; A2527-H2531 PolarHBondContact O-N 2.77Å; S2528-H2531 WeakPolarHBondContact O-CB 3.49Å; S2528-H2531 PolarHBondContact O-N 3.02Å; T2529-H2531 PolarHBondContact O-N 3.07Å; H2531-V2534 PolarHBondContact O-N 3.31Å; H2531-A2535 WeakPolarHBondContact O-CB 3.28Å; H2531-A2535 PolarHBondContact O-N 3.34Å |
| 2532 | L | 82.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.8 | -38.2 | 176.7 | -175.7 | 59.4 | 0 | 0 | 0 | 112.4 | L2453 V2454 A2457 L2487 A2490 A2491 V2494 S2528 T2529 A2535 C2536 | L2453-L2532 HydrophobicContact CD2-CD2 3.95Å; L2453-L2532 HydrophobicContact CG-CD2 4.07Å; V2454-L2532 HydrophobicContact CG2-CD2 4.37Å; A2457-L2532 HydrophobicContact CB-CD1 4.15Å; A2457-L2532 HydrophobicContact CB-CD2 4.18Å; A2457-L2532 HydrophobicContact CB-CG 4.31Å; L2487-L2532 HydrophobicContact CD1-CD1 3.84Å; A2490-L2532 HydrophobicContact CB-CB 4.14Å; A2490-L2532 HydrophobicContact CB-CD1 4.05Å; A2491-L2532 HydrophobicContact CB-CD1 4.3Å; V2494-L2532 HydrophobicContact CG2-CB 4.08Å; V2494-L2532 HydrophobicContact CG2-CD2 4.13Å; S2528-L2532 PolarHBondContact O-N 3.32Å; T2529-L2532 PolarHBondContact O-N 3Å; L2532-A2535 PolarHBondContact O-N 2.7Å; L2532-C2536 PolarHBondContact O-N 3.18Å; L2532-C2536 PolarHBondContact O-SG 2.75Å |
| 2533 | L | 81.3 | Confident | 75.9 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | 174.5 | -72.1 | 167.3 | 0 | 0 | 0 | 112 | F2092 A2095 L2453 T2529 A2530 C2536 K2537 L2550 | F2092-L2533 HydrophobicContact CD1-CD1 4.47Å; F2092-L2533 HydrophobicContact CE1-CD1 4.21Å; A2095-L2533 HydrophobicContact CB-CB 4.26Å; L2453-L2533 HydrophobicContact CD1-CD2 4.18Å; T2529-L2533 HydrophobicContact CG2-CD1 4.12Å; T2529-L2533 WeakPolarHBondContact O-CG 3.48Å; T2529-L2533 PolarHBondContact O-N 3.18Å; A2530-L2533 PolarHBondContact O-N 2.96Å; L2533-C2536 PolarHBondContact O-N 3.1Å; L2533-K2537 WeakPolarHBondContact O-CB 3.42Å; L2533-K2537 PolarHBondContact O-N 3.3Å; L2533-L2550 HydrophobicContact CD2-CD2 4.03Å; L2533-L2550 HydrophobicContact CD2-CG 3.85Å |
| 2534 | V | 75.9 | Confident | 75.5 | Confident | 36 Ų | 36 | 37.1 Ų | 37.1 | 22% | 0.218 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 177 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | M2091 A2530 H2531 C2536 K2537 V2538 | M2091-V2534 HydrophobicContact CB-CG2 4.04Å; M2091-V2534 WeakPolarHBondContact O-CG2 3.2Å; A2530-V2534 WeakPolarHBondContact O-CG2 3.27Å; A2530-V2534 PolarHBondContact O-N 2.96Å; H2531-V2534 PolarHBondContact O-N 3.31Å; V2534-C2536 PolarHBondContact O-N 3.26Å; V2534-K2537 PolarHBondContact O-N 2.7Å; V2534-K2537 VanDerWaalsContact O-N 3.12Å; V2534-V2538 WeakPolarHBondContact O-CG2 3.25Å; V2534-V2538 PolarHBondContact O-N 3.4Å |
| 2535 | A | 75 | Confident | 75.4 | Confident | 14 Ų | 14 | 40.6 Ų | 40.6 | 12% | 0.116 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.3 | -45 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W2483 L2487 A2490 H2531 L2532 K2537 | W2483-A2535 PolarHBondContact NE1-O 3.29Å; L2487-A2535 HydrophobicContact CD1-CB 4.37Å; A2490-A2535 HydrophobicContact CB-CB 4.32Å; H2531-A2535 WeakPolarHBondContact O-CB 3.28Å; H2531-A2535 PolarHBondContact O-N 3.34Å; L2532-A2535 PolarHBondContact O-N 2.7Å; A2535-K2537 VanDerWaalsContact C-N 3.35Å; A2535-K2537 PolarHBondContact O-N 3.07Å |
| 2536 | C | 75.3 | Confident | 75.1 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -35.5 | 176 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | L2487 L2532 L2533 V2534 V2538 A2540 L2550 | L2487-C2536 VanDerWaalsContact CD1-SG 3.52Å; L2532-C2536 PolarHBondContact O-N 3.18Å; L2532-C2536 PolarHBondContact O-SG 2.75Å; L2533-C2536 PolarHBondContact O-N 3.1Å; V2534-C2536 PolarHBondContact O-N 3.26Å; C2536-V2538 VanDerWaalsContact C-N 3.32Å; C2536-V2538 PolarHBondContact O-N 2.88Å; C2536-A2540 VanDerWaalsContact O-CB 3.31Å; C2536-A2540 WeakPolarHBondContact O-CB 3.03Å; C2536-L2550 HydrophobicContact CB-CD2 3.34Å |
| 2537 | K | 73.2 | Confident | 75.1 | Confident | 50 Ų | 50 | 42.1 Ų | 42.1 | 22% | 0.217 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.7 | -27.1 | -176.6 | -171.9 | 169.7 | 179.7 | 173.1 | 0 | 113.8 | T2094 A2095 L2533 V2534 A2535 K2539 M2547 | T2094-K2537 WeakPolarHBondContact O-CD 3.22Å; T2094-K2537 WeakPolarHBondContact O-CE 3.04Å; T2094-K2537 PolarHBondContact O-NZ 3.19Å; A2095-K2537 PolarHBondContact O-NZ 2.83Å; L2533-K2537 WeakPolarHBondContact O-CB 3.42Å; L2533-K2537 PolarHBondContact O-N 3.3Å; V2534-K2537 PolarHBondContact O-N 2.7Å; V2534-K2537 VanDerWaalsContact O-N 3.12Å; A2535-K2537 VanDerWaalsContact C-N 3.35Å; A2535-K2537 PolarHBondContact O-N 3.07Å; K2537-K2539 VanDerWaalsContact C-N 3.27Å; K2537-K2539 PolarHBondContact O-N 3.38Å; K2537-K2539 VanDerWaalsContact O-N 3.13Å; K2537-M2547 HydrophobicContact CB-CE 3.7Å; K2537-M2547 HydrophobicContact CG-CE 4.03Å |
| 2538 | V | 68.1 | Low | 75.2 | Confident | 100 Ų | 100 | 47.9 Ų | 47.9 | 61% | 0.606 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -35.4 | -171.1 | -177.1 | 0 | 0 | 0 | 0 | 113.9 | V2534 C2536 | V2534-V2538 WeakPolarHBondContact O-CG2 3.25Å; V2534-V2538 PolarHBondContact O-N 3.4Å; C2536-V2538 VanDerWaalsContact C-N 3.32Å; C2536-V2538 PolarHBondContact O-N 2.88Å |
| 2539 | K | 69.1 | Low | 75.1 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -9.5 | -179 | -57.8 | -165.4 | -175.9 | -169.9 | 0 | 114.7 | L2464 R2469 V2470 D2479 D2480 W2483 K2537 | L2464-K2539 HydrophobicContact CD1-CB 4.44Å; L2464-K2539 HydrophobicContact CD2-CB 4.11Å; L2464-K2539 WeakPolarHBondContact CD2-O 3.35Å; R2469-K2539 WeakPolarHBondContact CD-O 3.39Å; R2469-K2539 PolarHBondContact NH1-O 3.02Å; V2470-K2539 HydrophobicContact CG2-CD 4.24Å; D2479-K2539 PolarHBondContact O-NZ 3.45Å; D2480-K2539 IonicContact OD1-NZ 3.34Å; D2480-K2539 PolarHBondContact OD1-NZ 3.26Å; W2483-K2539 HydrophobicContact CD2-CD 4.34Å; W2483-K2539 HydrophobicContact CG-CD 4.17Å; W2483-K2539 HydrophobicContact CG-CG 4.44Å; K2537-K2539 VanDerWaalsContact C-N 3.27Å; K2537-K2539 PolarHBondContact O-N 3.38Å; K2537-K2539 VanDerWaalsContact O-N 3.13Å |
| 2540 | A | 66.9 | Low | 75 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 13% | 0.132 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -80.4 | 151.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L2464 C2536 M2547 | L2464-A2540 HydrophobicContact CD1-CB 4.46Å; C2536-A2540 VanDerWaalsContact O-CB 3.31Å; C2536-A2540 WeakPolarHBondContact O-CB 3.03Å; A2540-M2547 HydrophobicContact CB-SD 4.09Å |
| 2541 | D | 68.3 | Low | 75 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | trans | -77.8 | 125.5 | 166.1 | -175.3 | -16.4 | 0 | 0 | 0 | 109.7 | N2543 S2544 M2547 | D2541-N2543 PolarHBondContact O-N 2.85Å; D2541-N2543 VanDerWaalsContact O-N 3.16Å; D2541-N2543 WeakPolarHBondContact OD1-CB 3.36Å; D2541-N2543 PolarHBondContact OD1-N 3.13Å; D2541-S2544 VanDerWaalsContact O-CB 3.29Å; D2541-S2544 WeakPolarHBondContact O-CB 3.25Å; D2541-S2544 PolarHBondContact O-N 2.92Å; D2541-M2547 WeakPolarHBondContact O-CB 3.36Å | ||
| 2542 | M | 63.8 | Low | 74.9 | Confident | 99 Ų | 99 | 57.7 Ų | 57.7 | 49% | 0.488 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.2 | 177.1 | -71.9 | -175.9 | 59.7 | 0 | 0 | 113.2 | ||
| 2543 | N | 67.8 | Low | 75 | Confident | 119 Ų | 119 | 58.3 Ų | 58.3 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -6.8 | 179.8 | -67.9 | -51.3 | 0 | 0 | 0 | 113.9 | D2541 R2548 | D2541-N2543 PolarHBondContact O-N 2.85Å; D2541-N2543 VanDerWaalsContact O-N 3.16Å; D2541-N2543 WeakPolarHBondContact OD1-CB 3.36Å; D2541-N2543 PolarHBondContact OD1-N 3.13Å; N2543-R2548 PolarHBondContact O-NE 2.8Å; N2543-R2548 PolarHBondContact O-NH2 3.2Å |
| 2544 | S | 73.3 | Confident | 75 | Confident | 11 Ų | 11 | 58 Ų | 58 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | trans | -52.7 | 143.1 | 177.5 | 156.6 | 0 | 0 | 0 | 0 | 111.8 | E2463 D2541 V2546 M2547 R2548 | E2463-S2544 VanDerWaalsContact CD-OG 3.24Å; E2463-S2544 PolarHBondContact OE1-OG 2.66Å; E2463-S2544 WeakPolarHBondContact OE2-CB 3.28Å; E2463-S2544 PolarHBondContact OE2-OG 3.1Å; D2541-S2544 VanDerWaalsContact O-CB 3.29Å; D2541-S2544 WeakPolarHBondContact O-CB 3.25Å; D2541-S2544 PolarHBondContact O-N 2.92Å; S2544-V2546 PolarHBondContact O-N 3.23Å; S2544-V2546 PolarHBondContact OG-N 3.01Å; S2544-M2547 PolarHBondContact O-N 2.91Å; S2544-M2547 PolarHBondContact OG-N 3.07Å; S2544-M2547 VanDerWaalsContact OG-N 3.11Å; S2544-R2548 PolarHBondContact O-N 3.16Å | ||
| 2545 | K | 76.7 | Confident | 75.3 | Confident | 161 Ų | 161 | 58.7 Ų | 58.7 | 70% | 0.7 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.1 | -30.1 | 172.7 | -175.7 | 176 | -179.8 | 178.2 | 0 | 111.9 | R2549 | K2545-R2549 PolarHBondContact O-N 3.24Å |
| 2546 | V | 79.5 | Confident | 75.7 | Confident | 29 Ų | 29 | 60.3 Ų | 60.3 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -79.7 | -41.4 | 176.1 | -165.6 | 0 | 0 | 0 | 0 | 110.5 | A2456 A2459 A2460 E2463 S2544 R2548 R2549 L2550 | A2456-V2546 WeakPolarHBondContact O-CG1 3.44Å; A2459-V2546 HydrophobicContact CB-CG1 3.58Å; A2460-V2546 HydrophobicContact CB-CG1 4Å; E2463-V2546 HydrophobicContact CB-CG2 4.39Å; E2463-V2546 WeakPolarHBondContact OE2-CB 3.36Å; E2463-V2546 VanDerWaalsContact OE2-CG2 3.32Å; E2463-V2546 WeakPolarHBondContact OE2-CG2 3.5Å; S2544-V2546 PolarHBondContact O-N 3.23Å; S2544-V2546 PolarHBondContact OG-N 3.01Å; V2546-R2548 VanDerWaalsContact C-N 3.35Å; V2546-R2548 PolarHBondContact O-N 3.46Å; V2546-R2549 WeakPolarHBondContact O-CA 3.42Å; V2546-R2549 WeakPolarHBondContact O-CB 3.27Å; V2546-R2549 PolarHBondContact O-N 2.97Å; V2546-L2550 PolarHBondContact O-N 3.49Å |
| 2547 | M | 79 | Confident | 76.2 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.6 | -166.8 | 61.3 | 178.8 | 0 | 0 | 111.9 | K2537 A2540 D2541 S2544 R2549 L2550 Q2551 | K2537-M2547 HydrophobicContact CB-CE 3.7Å; K2537-M2547 HydrophobicContact CG-CE 4.03Å; A2540-M2547 HydrophobicContact CB-SD 4.09Å; D2541-M2547 WeakPolarHBondContact O-CB 3.36Å; S2544-M2547 PolarHBondContact O-N 2.91Å; S2544-M2547 PolarHBondContact OG-N 3.07Å; S2544-M2547 VanDerWaalsContact OG-N 3.11Å; M2547-R2549 VanDerWaalsContact C-N 3.33Å; M2547-R2549 PolarHBondContact O-N 3.15Å; M2547-L2550 WeakPolarHBondContact O-CB 3.28Å; M2547-L2550 PolarHBondContact O-N 2.94Å; M2547-L2550 HydrophobicContact SD-CD2 3.89Å; M2547-Q2551 WeakPolarHBondContact O-CB 3.35Å; M2547-Q2551 PolarHBondContact O-N 2.98Å |
| 2548 | R | 78.8 | Confident | 76.6 | Confident | 151 Ų | 151 | 59.4 Ų | 59.4 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.3 | -34.2 | 172 | -80.7 | -176.6 | -81 | 169.9 | -13.2 | 113.7 | N2543 S2544 V2546 A2552 | N2543-R2548 PolarHBondContact O-NE 2.8Å; N2543-R2548 PolarHBondContact O-NH2 3.2Å; S2544-R2548 PolarHBondContact O-N 3.16Å; V2546-R2548 VanDerWaalsContact C-N 3.35Å; V2546-R2548 PolarHBondContact O-N 3.46Å; R2548-A2552 WeakPolarHBondContact O-CB 3.32Å; R2548-A2552 PolarHBondContact O-N 3.02Å |
| 2549 | R | 79.9 | Confident | 77.2 | Confident | 177 Ų | 177 | 58.9 Ų | 58.9 | 67% | 0.668 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.9 | -41.6 | 172.3 | -86.1 | 178.5 | 148.5 | -168.4 | -8.4 | 112 | K2545 V2546 M2547 A2552 A2553 | K2545-R2549 PolarHBondContact O-N 3.24Å; V2546-R2549 WeakPolarHBondContact O-CA 3.42Å; V2546-R2549 WeakPolarHBondContact O-CB 3.27Å; V2546-R2549 PolarHBondContact O-N 2.97Å; M2547-R2549 VanDerWaalsContact C-N 3.33Å; M2547-R2549 PolarHBondContact O-N 3.15Å; R2549-A2552 PolarHBondContact O-N 2.84Å; R2549-A2553 WeakPolarHBondContact O-CB 3.25Å; R2549-A2553 PolarHBondContact O-N 3.42Å |
| 2550 | L | 82.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 175.7 | -171.8 | 80.6 | 0 | 0 | 0 | 110.8 | L2453 A2456 A2457 L2533 C2536 V2546 M2547 A2553 G2554 | L2453-L2550 HydrophobicContact CD1-CD1 3.77Å; L2453-L2550 HydrophobicContact CD1-CG 4.2Å; L2453-L2550 HydrophobicContact CG-CD1 4.44Å; A2456-L2550 HydrophobicContact CB-CB 4.17Å; A2456-L2550 HydrophobicContact CB-CD1 3.83Å; A2457-L2550 HydrophobicContact CB-CD1 3.9Å; L2533-L2550 HydrophobicContact CD2-CD2 4.03Å; L2533-L2550 HydrophobicContact CD2-CG 3.85Å; C2536-L2550 HydrophobicContact CB-CD2 3.34Å; V2546-L2550 PolarHBondContact O-N 3.49Å; M2547-L2550 WeakPolarHBondContact O-CB 3.28Å; M2547-L2550 PolarHBondContact O-N 2.94Å; M2547-L2550 HydrophobicContact SD-CD2 3.89Å; L2550-A2553 PolarHBondContact O-N 3.43Å; L2550-G2554 PolarHBondContact O-N 3.31Å |
| 2551 | Q | 77.2 | Confident | 78.6 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.9 | -163.5 | 179.9 | 6.8 | 0 | 0 | 112 | G2096 T2097 M2547 G2554 N2555 | G2096-Q2551 PolarHBondContact O-NE2 3.31Å; T2097-Q2551 HydrophobicContact CG2-CG 3.62Å; M2547-Q2551 WeakPolarHBondContact O-CB 3.35Å; M2547-Q2551 PolarHBondContact O-N 2.98Å; Q2551-G2554 PolarHBondContact O-N 3.19Å; Q2551-N2555 WeakPolarHBondContact O-CB 3.3Å; Q2551-N2555 PolarHBondContact O-N 2.86Å |
| 2552 | A | 79.8 | Confident | 79.1 | Confident | 60 Ų | 60 | 57 Ų | 57 | 50% | 0.496 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R2548 R2549 A2556 | R2548-A2552 WeakPolarHBondContact O-CB 3.32Å; R2548-A2552 PolarHBondContact O-N 3.02Å; R2549-A2552 PolarHBondContact O-N 2.84Å; A2552-A2556 WeakPolarHBondContact O-CB 3.32Å; A2552-A2556 PolarHBondContact O-N 2.84Å |
| 2553 | A | 83.6 | Confident | 80 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A2452 L2453 R2549 L2550 A2556 V2557 | A2452-A2553 HydrophobicContact CB-CB 4.47Å; L2453-A2553 HydrophobicContact CB-CB 4.06Å; L2453-A2553 HydrophobicContact CD1-CB 4.16Å; R2549-A2553 WeakPolarHBondContact O-CB 3.25Å; R2549-A2553 PolarHBondContact O-N 3.42Å; L2550-A2553 PolarHBondContact O-N 3.43Å; A2553-A2556 WeakPolarHBondContact O-CB 3.35Å; A2553-A2556 PolarHBondContact O-N 2.97Å; A2553-V2557 WeakPolarHBondContact O-CG2 3.44Å; A2553-V2557 PolarHBondContact O-N 3.46Å |
| 2554 | G | 82.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | L2550 Q2551 V2557 K2558 | L2550-G2554 PolarHBondContact O-N 3.31Å; Q2551-G2554 PolarHBondContact O-N 3.19Å; G2554-V2557 PolarHBondContact O-N 3.47Å; G2554-K2558 PolarHBondContact O-N 3.05Å |
| 2555 | N | 81.6 | Confident | 81 | Confident | 50 Ų | 50 | 52.4 Ų | 52.4 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 172 | -74.6 | -3.1 | 0 | 0 | 0 | 111.4 | T2097 Q2551 V2557 K2558 T2559 | T2097-N2555 WeakPolarHBondContact CB-OD1 3.35Å; T2097-N2555 WeakPolarHBondContact CG2-OD1 3.09Å; Q2551-N2555 WeakPolarHBondContact O-CB 3.3Å; Q2551-N2555 PolarHBondContact O-N 2.86Å; N2555-V2557 VanDerWaalsContact C-N 3.35Å; N2555-V2557 PolarHBondContact O-N 3.25Å; N2555-K2558 PolarHBondContact O-N 2.85Å; N2555-T2559 PolarHBondContact O-N 3.42Å; N2555-T2559 PolarHBondContact O-OG1 2.96Å; N2555-T2559 VanDerWaalsContact O-OG1 3.13Å |
| 2556 | A | 83.1 | Confident | 81.1 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 39% | 0.388 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2449 A2552 A2553 A2560 | A2449-A2556 HydrophobicContact CB-CB 4.18Å; A2552-A2556 WeakPolarHBondContact O-CB 3.32Å; A2552-A2556 PolarHBondContact O-N 2.84Å; A2553-A2556 WeakPolarHBondContact O-CB 3.35Å; A2553-A2556 PolarHBondContact O-N 2.97Å; A2556-A2560 VanDerWaalsContact O-CB 3.26Å; A2556-A2560 WeakPolarHBondContact O-CB 3.22Å; A2556-A2560 PolarHBondContact O-N 2.89Å |
| 2557 | V | 86 | Confident | 80.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.3 | -49.3 | 172.9 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | A2449 V2450 V2525 T2529 A2553 G2554 N2555 T2559 A2560 T2561 | A2449-V2557 HydrophobicContact CB-CB 4.46Å; A2449-V2557 HydrophobicContact CB-CG2 3.56Å; V2450-V2557 HydrophobicContact CB-CG2 4.42Å; V2450-V2557 HydrophobicContact CG2-CB 4.47Å; V2450-V2557 HydrophobicContact CG2-CG1 3.88Å; V2450-V2557 HydrophobicContact CG2-CG2 3.66Å; V2525-V2557 HydrophobicContact CG1-CG1 3.85Å; T2529-V2557 HydrophobicContact CG2-CB 4.08Å; T2529-V2557 HydrophobicContact CG2-CG1 4.09Å; T2529-V2557 WeakPolarHBondContact OG1-CG1 3.29Å; A2553-V2557 WeakPolarHBondContact O-CG2 3.44Å; A2553-V2557 PolarHBondContact O-N 3.46Å; G2554-V2557 PolarHBondContact O-N 3.47Å; N2555-V2557 VanDerWaalsContact C-N 3.35Å; N2555-V2557 PolarHBondContact O-N 3.25Å; V2557-T2559 PolarHBondContact O-N 3.06Å; V2557-A2560 PolarHBondContact O-N 3Å; V2557-T2561 HydrophobicContact CG1-CG2 4.21Å; V2557-T2561 WeakPolarHBondContact O-CG2 3.46Å; V2557-T2561 PolarHBondContact O-N 3.33Å; V2557-T2561 PolarHBondContact O-OG1 3.02Å; V2557-T2561 VanDerWaalsContact O-OG1 3.05Å |
| 2558 | K | 81.2 | Confident | 80.1 | Confident | 33 Ų | 33 | 49.9 Ų | 49.9 | 14% | 0.143 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -52.5 | -55.9 | 178 | 179.4 | -175.2 | 166.5 | -174.3 | 0 | 110.9 | F2092 G2554 N2555 A2560 T2561 E2562 | F2092-K2558 HydrophobicContact CD2-CD 4.39Å; F2092-K2558 HydrophobicContact CE1-CD 4.43Å; F2092-K2558 HydrophobicContact CE2-CD 4.11Å; F2092-K2558 HydrophobicContact CE2-CG 4.26Å; F2092-K2558 HydrophobicContact CZ-CB 4.15Å; F2092-K2558 HydrophobicContact CZ-CD 4.13Å; F2092-K2558 HydrophobicContact CZ-CG 4.08Å; G2554-K2558 PolarHBondContact O-N 3.05Å; N2555-K2558 PolarHBondContact O-N 2.85Å; K2558-A2560 VanDerWaalsContact C-N 3.34Å; K2558-A2560 PolarHBondContact O-N 3.4Å; K2558-T2561 WeakPolarHBondContact CA-OG1 3.38Å; K2558-T2561 PolarHBondContact O-N 2.9Å; K2558-T2561 PolarHBondContact O-OG1 2.61Å; K2558-E2562 WeakPolarHBondContact CE-OE1 3.46Å; K2558-E2562 HydrophobicContact CG-CG 4.49Å; K2558-E2562 IonicContact NZ-OE1 2.64Å; K2558-E2562 WeakPolarHBondContact O-CG 3.33Å; K2558-E2562 PolarHBondContact O-N 2.88Å |
| 2559 | T | 80.1 | Confident | 79.8 | Confident | 88 Ų | 88 | 47.9 Ų | 47.9 | 54% | 0.54 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -38.7 | -179.1 | -55.6 | 0 | 0 | 0 | 0 | 112.6 | N2555 V2557 E2562 H2563 | N2555-T2559 PolarHBondContact O-N 3.42Å; N2555-T2559 PolarHBondContact O-OG1 2.96Å; N2555-T2559 VanDerWaalsContact O-OG1 3.13Å; V2557-T2559 PolarHBondContact O-N 3.06Å; T2559-E2562 PolarHBondContact O-N 3.25Å; T2559-H2563 WeakPolarHBondContact O-CB 3.2Å; T2559-H2563 PolarHBondContact O-N 2.87Å |
| 2560 | A | 82.7 | Confident | 79.1 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 12% | 0.116 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.7 | -39.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I2446 A2556 V2557 K2558 H2563 L2564 | I2446-A2560 HydrophobicContact CG1-CB 3.58Å; A2556-A2560 VanDerWaalsContact O-CB 3.26Å; A2556-A2560 WeakPolarHBondContact O-CB 3.22Å; A2556-A2560 PolarHBondContact O-N 2.89Å; V2557-A2560 PolarHBondContact O-N 3Å; K2558-A2560 VanDerWaalsContact C-N 3.34Å; K2558-A2560 PolarHBondContact O-N 3.4Å; A2560-H2563 PolarHBondContact O-N 3.38Å; A2560-L2564 PolarHBondContact O-N 3.36Å |
| 2561 | T | 84.4 | Confident | 78.1 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -39.7 | 173.5 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | I2446 A2522 V2525 A2526 V2557 K2558 L2564 V2565 | I2446-T2561 HydrophobicContact CD1-CG2 3.98Å; I2446-T2561 HydrophobicContact CG1-CG2 4.16Å; I2446-T2561 HydrophobicContact CG2-CG2 4.25Å; A2522-T2561 WeakPolarHBondContact O-CG2 3.25Å; V2525-T2561 HydrophobicContact CB-CG2 4.12Å; V2525-T2561 HydrophobicContact CG1-CG2 3.97Å; A2526-T2561 HydrophobicContact CB-CG2 4.44Å; V2557-T2561 HydrophobicContact CG1-CG2 4.21Å; V2557-T2561 WeakPolarHBondContact O-CG2 3.46Å; V2557-T2561 PolarHBondContact O-N 3.33Å; V2557-T2561 PolarHBondContact O-OG1 3.02Å; V2557-T2561 VanDerWaalsContact O-OG1 3.05Å; K2558-T2561 WeakPolarHBondContact CA-OG1 3.38Å; K2558-T2561 PolarHBondContact O-N 2.9Å; K2558-T2561 PolarHBondContact O-OG1 2.61Å; T2561-L2564 PolarHBondContact O-N 2.94Å; T2561-V2565 WeakPolarHBondContact O-CB 3.42Å; T2561-V2565 VanDerWaalsContact O-CG2 3.31Å; T2561-V2565 WeakPolarHBondContact O-CG2 3.28Å; T2561-V2565 PolarHBondContact O-N 2.78Å |
| 2562 | E | 78.5 | Confident | 77.1 | Confident | 73 Ų | 73 | 44.6 Ų | 44.6 | 34% | 0.341 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.8 | -38.5 | 175.3 | -73.5 | 169.5 | 163.4 | 0 | 0 | 112 | K2558 T2559 R2566 | K2558-E2562 WeakPolarHBondContact CE-OE1 3.46Å; K2558-E2562 HydrophobicContact CG-CG 4.49Å; K2558-E2562 IonicContact NZ-OE1 2.64Å; K2558-E2562 WeakPolarHBondContact O-CG 3.33Å; K2558-E2562 PolarHBondContact O-N 2.88Å; T2559-E2562 PolarHBondContact O-N 3.25Å; E2562-R2566 VanDerWaalsContact O-CB 3.28Å; E2562-R2566 WeakPolarHBondContact O-CB 3.42Å; E2562-R2566 PolarHBondContact O-N 3.19Å |
| 2563 | H | 81 | Confident | 75.8 | Confident | 109 Ų | 109 | 47.4 Ų | 47.4 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62 | -46.1 | 173.2 | -172.6 | -82.1 | 0 | 0 | 0 | 111.5 | T2559 A2560 R2566 A2567 | T2559-H2563 WeakPolarHBondContact O-CB 3.2Å; T2559-H2563 PolarHBondContact O-N 2.87Å; A2560-H2563 PolarHBondContact O-N 3.38Å; H2563-R2566 PolarHBondContact O-N 3.41Å; H2563-A2567 WeakPolarHBondContact O-CB 3.16Å; H2563-A2567 PolarHBondContact O-N 3.33Å |
| 2564 | L | 82.8 | Confident | 74.2 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 177.2 | -177.7 | 57.3 | 0 | 0 | 0 | 112.4 | A2442 I2446 L2501 L2518 A2522 A2560 T2561 R2566 A2567 A2568 | A2442-L2564 HydrophobicContact CB-CB 4.23Å; A2442-L2564 HydrophobicContact CB-CD1 3.89Å; I2446-L2564 HydrophobicContact CD1-CB 4.03Å; I2446-L2564 HydrophobicContact CD1-CD2 3.59Å; I2446-L2564 HydrophobicContact CD1-CG 4.47Å; L2501-L2564 HydrophobicContact CD1-CD2 3.64Å; L2518-L2564 HydrophobicContact CD1-CD2 4.3Å; L2518-L2564 HydrophobicContact CD2-CD1 3.84Å; L2518-L2564 HydrophobicContact CD2-CG 4.38Å; L2518-L2564 HydrophobicContact CG-CD1 4.36Å; L2518-L2564 HydrophobicContact CG-CD2 4.31Å; L2518-L2564 HydrophobicContact CG-CG 4.41Å; A2522-L2564 HydrophobicContact CB-CD2 4.04Å; A2522-L2564 HydrophobicContact CB-CG 4.39Å; A2560-L2564 PolarHBondContact O-N 3.36Å; T2561-L2564 PolarHBondContact O-N 2.94Å; L2564-R2566 VanDerWaalsContact C-N 3.28Å; L2564-R2566 PolarHBondContact O-N 2.81Å; L2564-A2567 PolarHBondContact O-N 3.28Å; L2564-A2568 VanDerWaalsContact O-CB 3.32Å; L2564-A2568 WeakPolarHBondContact O-CB 3.49Å; L2564-A2568 PolarHBondContact O-N 2.98Å |
| 2565 | V | 81.1 | Confident | 72.4 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 176.1 | 169.8 | 0 | 0 | 0 | 0 | 111 | I2519 A2522 K2523 T2561 K2569 | I2519-V2565 HydrophobicContact CG2-CG1 4.2Å; I2519-V2565 HydrophobicContact CG2-CG2 4.35Å; A2522-V2565 HydrophobicContact CB-CG2 3.72Å; K2523-V2565 HydrophobicContact CG-CG2 4.41Å; T2561-V2565 WeakPolarHBondContact O-CB 3.42Å; T2561-V2565 VanDerWaalsContact O-CG2 3.31Å; T2561-V2565 WeakPolarHBondContact O-CG2 3.28Å; T2561-V2565 PolarHBondContact O-N 2.78Å; V2565-K2569 HydrophobicContact CG1-CD 4.36Å; V2565-K2569 VanDerWaalsContact O-CB 3.31Å; V2565-K2569 WeakPolarHBondContact O-CB 3.49Å; V2565-K2569 VanDerWaalsContact O-CG 3.29Å; V2565-K2569 WeakPolarHBondContact O-CG 3.43Å; V2565-K2569 PolarHBondContact O-N 3.21Å |
| 2566 | R | 77 | Confident | 70.4 | Confident | 139 Ų | 139 | 57.4 Ų | 57.4 | 53% | 0.525 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 175.9 | -167.4 | 179.6 | -63.8 | 113.7 | -1.3 | 111.9 | E2562 H2563 L2564 K2569 Q2570 | E2562-R2566 VanDerWaalsContact O-CB 3.28Å; E2562-R2566 WeakPolarHBondContact O-CB 3.42Å; E2562-R2566 PolarHBondContact O-N 3.19Å; H2563-R2566 PolarHBondContact O-N 3.41Å; L2564-R2566 VanDerWaalsContact C-N 3.28Å; L2564-R2566 PolarHBondContact O-N 2.81Å; R2566-K2569 PolarHBondContact O-N 3.37Å; R2566-Q2570 WeakPolarHBondContact O-CB 3.49Å; R2566-Q2570 WeakPolarHBondContact O-CG 3.39Å; R2566-Q2570 PolarHBondContact O-N 2.8Å |
| 2567 | A | 70.4 | Confident | 68.2 | Low | 13 Ų | 13 | 61.3 Ų | 61.3 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H2563 L2564 Q2570 A2571 | H2563-A2567 WeakPolarHBondContact O-CB 3.16Å; H2563-A2567 PolarHBondContact O-N 3.33Å; L2564-A2567 PolarHBondContact O-N 3.28Å; A2567-Q2570 PolarHBondContact O-N 2.94Å; A2567-A2571 PolarHBondContact O-N 2.83Å |
| 2568 | A | 68.9 | Low | 66 | Low | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2518 I2519 L2564 Q2570 A2571 I2572 | L2518-A2568 HydrophobicContact CD2-CB 4.21Å; I2519-A2568 HydrophobicContact CD1-CB 3.94Å; I2519-A2568 HydrophobicContact CG1-CB 3.55Å; L2564-A2568 VanDerWaalsContact O-CB 3.32Å; L2564-A2568 WeakPolarHBondContact O-CB 3.49Å; L2564-A2568 PolarHBondContact O-N 2.98Å; A2568-Q2570 VanDerWaalsContact C-N 3.33Å; A2568-Q2570 PolarHBondContact O-N 3.25Å; A2568-A2571 PolarHBondContact O-N 2.83Å; A2568-I2572 WeakPolarHBondContact O-CG1 3.38Å; A2568-I2572 PolarHBondContact O-N 3.17Å |
| 2569 | K | 70.7 | Confident | 63.8 | Low | 108 Ų | 108 | 73.8 Ų | 73.8 | 47% | 0.47 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 171.6 | -81.9 | -176 | 171.4 | -164.6 | 0 | 112.5 | I2519 V2565 R2566 I2572 E2573 | I2519-K2569 HydrophobicContact CD1-CG 3.97Å; V2565-K2569 HydrophobicContact CG1-CD 4.36Å; V2565-K2569 VanDerWaalsContact O-CB 3.31Å; V2565-K2569 WeakPolarHBondContact O-CB 3.49Å; V2565-K2569 VanDerWaalsContact O-CG 3.29Å; V2565-K2569 WeakPolarHBondContact O-CG 3.43Å; V2565-K2569 PolarHBondContact O-N 3.21Å; R2566-K2569 PolarHBondContact O-N 3.37Å; K2569-I2572 PolarHBondContact O-N 3.34Å; K2569-E2573 WeakPolarHBondContact O-CB 3.44Å; K2569-E2573 WeakPolarHBondContact O-CG 3.37Å; K2569-E2573 PolarHBondContact O-N 2.85Å |
| 2570 | Q | 65.2 | Low | 61.4 | Low | 104 Ų | 104 | 74.5 Ų | 74.5 | 49% | 0.486 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.9 | -35.3 | 176.8 | -76.3 | 174.9 | -26.1 | 0 | 0 | 112.1 | R2566 A2567 A2568 E2573 I2574 | R2566-Q2570 WeakPolarHBondContact O-CB 3.49Å; R2566-Q2570 WeakPolarHBondContact O-CG 3.39Å; R2566-Q2570 PolarHBondContact O-N 2.8Å; A2567-Q2570 PolarHBondContact O-N 2.94Å; A2568-Q2570 VanDerWaalsContact C-N 3.33Å; A2568-Q2570 PolarHBondContact O-N 3.25Å; Q2570-E2573 PolarHBondContact O-N 3.39Å; Q2570-I2574 WeakPolarHBondContact O-CB 3.42Å; Q2570-I2574 WeakPolarHBondContact O-CD1 3.38Å; Q2570-I2574 WeakPolarHBondContact O-CG1 3.46Å; Q2570-I2574 PolarHBondContact O-N 3.2Å |
| 2571 | A | 61.3 | Low | 59 | Low | 16 Ų | 16 | 81.5 Ų | 81.5 | 13% | 0.132 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F2435 E2515 A2567 A2568 E2573 I2574 E2575 | F2435-A2571 HydrophobicContact CD2-CB 4.4Å; F2435-A2571 HydrophobicContact CE1-CB 3.86Å; F2435-A2571 HydrophobicContact CE2-CB 3.59Å; F2435-A2571 HydrophobicContact CZ-CB 3.27Å; E2515-A2571 HydrophobicContact CG-CB 4.3Å; A2567-A2571 PolarHBondContact O-N 2.83Å; A2568-A2571 PolarHBondContact O-N 2.83Å; A2571-E2573 PolarHBondContact O-N 2.91Å; A2571-I2574 PolarHBondContact O-N 3.3Å; A2571-E2575 PolarHBondContact O-N 3.41Å |
| 2572 | I | 57.8 | Low | 56.5 | Low | 42 Ų | 42 | 87.6 Ų | 87.6 | 22% | 0.215 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 173.9 | -65 | 168.2 | 0 | 0 | 0 | 110.9 | E2515 E2516 I2519 A2568 K2569 I2574 E2575 D2576 | E2515-I2572 HydrophobicContact CB-CD1 3.71Å; E2515-I2572 HydrophobicContact CB-CG1 3.53Å; E2515-I2572 HydrophobicContact CG-CG1 4.06Å; E2516-I2572 HydrophobicContact CG-CD1 4.44Å; I2519-I2572 HydrophobicContact CD1-CD1 3.53Å; A2568-I2572 WeakPolarHBondContact O-CG1 3.38Å; A2568-I2572 PolarHBondContact O-N 3.17Å; K2569-I2572 PolarHBondContact O-N 3.34Å; I2572-I2574 VanDerWaalsContact C-N 3.3Å; I2572-I2574 PolarHBondContact O-N 3.35Å; I2572-E2575 PolarHBondContact O-N 3.45Å; I2572-D2576 VanDerWaalsContact O-CB 3.28Å; I2572-D2576 WeakPolarHBondContact O-CB 3.31Å; I2572-D2576 PolarHBondContact O-N 2.8Å |
| 2573 | E | 51.9 | Low | 54.2 | Low | 120 Ų | 120 | 89 Ų | 89 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.1 | -32.8 | 178.3 | -75.2 | 169.4 | -179.5 | 0 | 0 | 112.4 | K2569 Q2570 A2571 E2577 | K2569-E2573 WeakPolarHBondContact O-CB 3.44Å; K2569-E2573 WeakPolarHBondContact O-CG 3.37Å; K2569-E2573 PolarHBondContact O-N 2.85Å; Q2570-E2573 PolarHBondContact O-N 3.39Å; A2571-E2573 PolarHBondContact O-N 2.91Å; E2573-E2577 WeakPolarHBondContact O-CB 3.49Å; E2573-E2577 WeakPolarHBondContact O-CG 3.35Å; E2573-E2577 PolarHBondContact O-N 3.12Å |
| 2574 | I | 50.9 | Low | 51.8 | Low | 92 Ų | 92 | 91.1 Ų | 91.1 | 47% | 0.472 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -74 | -32.6 | 175.1 | -69.7 | 163.1 | 0 | 0 | 0 | 112 | Q2570 A2571 I2572 R2578 | Q2570-I2574 WeakPolarHBondContact O-CB 3.42Å; Q2570-I2574 WeakPolarHBondContact O-CD1 3.38Å; Q2570-I2574 WeakPolarHBondContact O-CG1 3.46Å; Q2570-I2574 PolarHBondContact O-N 3.2Å; A2571-I2574 PolarHBondContact O-N 3.3Å; I2572-I2574 VanDerWaalsContact C-N 3.3Å; I2572-I2574 PolarHBondContact O-N 3.35Å; I2574-R2578 WeakPolarHBondContact O-CD 3.36Å; I2574-R2578 VanDerWaalsContact O-CG 3.27Å; I2574-R2578 WeakPolarHBondContact O-CG 3.44Å |
| 2575 | E | 42.9 | Very low | 49.5 | Very low | 111 Ų | 111 | 99.4 Ų | 99.4 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -78 | -43 | 172 | -71.2 | -158.5 | 143.4 | 0 | 0 | 112.1 | A2571 I2572 E2577 R2578 T2579 | A2571-E2575 PolarHBondContact O-N 3.41Å; I2572-E2575 PolarHBondContact O-N 3.45Å; E2575-E2577 PolarHBondContact O-N 3.28Å; E2575-R2578 CarbonylContact O-C 3.55Å; E2575-R2578 VanDerWaalsContact O-C 3.28Å; E2575-R2578 VanDerWaalsContact O-CA 3.22Å; E2575-R2578 WeakPolarHBondContact O-CA 3.04Å; E2575-R2578 WeakPolarHBondContact O-CB 3.42Å; E2575-R2578 PolarHBondContact O-N 3.3Å; E2575-T2579 PolarHBondContact O-N 3.39Å; E2575-T2579 PolarHBondContact O-OG1 3.32Å |
| 2576 | D | 40.2 | Very low | 47 | Very low | 69 Ų | 69 | 107.3 Ų | 107.3 | 37% | 0.369 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 175.4 | -89.9 | -24.2 | 0 | 0 | 0 | 111.5 | I2572 R2578 T2579 L2580 | I2572-D2576 VanDerWaalsContact O-CB 3.28Å; I2572-D2576 WeakPolarHBondContact O-CB 3.31Å; I2572-D2576 PolarHBondContact O-N 2.8Å; D2576-R2578 PolarHBondContact O-N 3.12Å; D2576-R2578 VanDerWaalsContact O-N 3.1Å; D2576-T2579 PolarHBondContact O-N 3.29Å; D2576-L2580 HydrophobicContact CB-CD1 3.77Å; D2576-L2580 HydrophobicContact CB-CG 3.94Å; D2576-L2580 VanDerWaalsContact O-CB 3.25Å; D2576-L2580 WeakPolarHBondContact O-CB 3.49Å; D2576-L2580 WeakPolarHBondContact O-CD1 3.47Å; D2576-L2580 WeakPolarHBondContact O-CG 3.26Å; D2576-L2580 PolarHBondContact O-N 3.47Å |
| 2577 | E | 37.7 | Very low | 44.8 | Very low | 128 Ų | 128 | 106.9 Ų | 106.9 | 60% | 0.598 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.7 | -13.5 | 169.3 | -82 | -159.4 | 154.8 | 0 | 0 | 113.1 | E2573 E2575 R2605 | E2573-E2577 WeakPolarHBondContact O-CB 3.49Å; E2573-E2577 WeakPolarHBondContact O-CG 3.35Å; E2573-E2577 PolarHBondContact O-N 3.12Å; E2575-E2577 PolarHBondContact O-N 3.28Å; E2577-R2605 IonicContact OE1-CZ 3.72Å; E2577-R2605 IonicContact OE1-NH1 3.31Å; E2577-R2605 PolarHBondContact OE1-NH1 3.05Å; E2577-R2605 IonicContact OE1-NH2 2.73Å; E2577-R2605 PolarHBondContact OE1-NH2 3.12Å; E2577-R2605 IonicContact OE2-CZ 2.98Å; E2577-R2605 IonicContact OE2-NH1 2.77Å; E2577-R2605 PolarHBondContact OE2-NH1 3.48Å; E2577-R2605 IonicContact OE2-NH2 3.93Å |
| 2578 | R | 38.7 | Very low | 43 | Very low | 197 Ų | 197 | 112.5 Ų | 112.5 | 74% | 0.743 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -107.7 | -16.2 | 176.5 | -70.2 | 175.4 | 174.3 | -167.3 | -2.4 | 114.5 | I2574 E2575 D2576 | I2574-R2578 WeakPolarHBondContact O-CD 3.36Å; I2574-R2578 VanDerWaalsContact O-CG 3.27Å; I2574-R2578 WeakPolarHBondContact O-CG 3.44Å; E2575-R2578 CarbonylContact O-C 3.55Å; E2575-R2578 VanDerWaalsContact O-C 3.28Å; E2575-R2578 VanDerWaalsContact O-CA 3.22Å; E2575-R2578 WeakPolarHBondContact O-CA 3.04Å; E2575-R2578 WeakPolarHBondContact O-CB 3.42Å; E2575-R2578 PolarHBondContact O-N 3.3Å; D2576-R2578 PolarHBondContact O-N 3.12Å; D2576-R2578 VanDerWaalsContact O-N 3.1Å |
| 2579 | T | 34.6 | Very low | 41.6 | Very low | 98 Ų | 98 | 114.4 Ų | 114.4 | 60% | 0.601 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -132 | 5.5 | -172.2 | 57.2 | 0 | 0 | 0 | 0 | 116.1 | E2575 D2576 I2581 | E2575-T2579 PolarHBondContact O-N 3.39Å; E2575-T2579 PolarHBondContact O-OG1 3.32Å; D2576-T2579 PolarHBondContact O-N 3.29Å; T2579-I2581 VanDerWaalsContact C-N 3.26Å; T2579-I2581 PolarHBondContact O-N 3.37Å |
| 2580 | L | 30.7 | Very low | 40.1 | Very low | 103 Ų | 103 | 115 Ų | 115 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | trans | -73.6 | 61.8 | 178.6 | -82 | 171.9 | 0 | 0 | 0 | 115.4 | D2576 I2582 | D2576-L2580 HydrophobicContact CB-CD1 3.77Å; D2576-L2580 HydrophobicContact CB-CG 3.94Å; D2576-L2580 VanDerWaalsContact O-CB 3.25Å; D2576-L2580 WeakPolarHBondContact O-CB 3.49Å; D2576-L2580 WeakPolarHBondContact O-CD1 3.47Å; D2576-L2580 WeakPolarHBondContact O-CG 3.26Å; D2576-L2580 PolarHBondContact O-N 3.47Å; L2580-I2582 VanDerWaalsContact C-N 3.28Å; L2580-I2582 HydrophobicContact CD2-CD1 3.43Å; L2580-I2582 VanDerWaalsContact CD2-CD1 3.43Å; L2580-I2582 HydrophobicContact CD2-CG1 3.73Å; L2580-I2582 PolarHBondContact O-N 2.78Å; L2580-I2582 VanDerWaalsContact O-N 3.13Å | ||
| 2581 | I | 32.8 | Very low | 39 | Very low | 162 Ų | 162 | 112.7 Ų | 112.7 | 83% | 0.831 | 59% | 0.594 | S | S | * | * | trans | -83.1 | 72.5 | 160.4 | -53.9 | -179.4 | 0 | 0 | 0 | 109.3 | T2579 S2583 | T2579-I2581 VanDerWaalsContact C-N 3.26Å; T2579-I2581 PolarHBondContact O-N 3.37Å; I2581-S2583 PolarHBondContact O-N 3.25Å | ||
| 2582 | I | 31.7 | Very low | 38 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 68% | 0.677 | 62% | 0.623 | S | S | * | * | trans | -86.6 | 92.8 | 172.7 | -60.5 | -172.9 | 0 | 0 | 0 | 110.4 | L2580 Q2584 | L2580-I2582 VanDerWaalsContact C-N 3.28Å; L2580-I2582 HydrophobicContact CD2-CD1 3.43Å; L2580-I2582 VanDerWaalsContact CD2-CD1 3.43Å; L2580-I2582 HydrophobicContact CD2-CG1 3.73Å; L2580-I2582 PolarHBondContact O-N 2.78Å; L2580-I2582 VanDerWaalsContact O-N 3.13Å; I2582-Q2584 PolarHBondContact O-N 2.93Å | ||
| 2583 | S | 29 | Very low | 37.3 | Very low | 103 Ų | 103 | 121.3 Ų | 121.3 | 72% | 0.72 | 64% | 0.636 | S | S | * | * | trans | -71.7 | 107.8 | 170.6 | 168.3 | 0 | 0 | 0 | 0 | 112.1 | I2581 | I2581-S2583 PolarHBondContact O-N 3.25Š| ||
| 2584 | Q | 31.8 | Very low | 37 | Very low | 153 Ų | 153 | 120.1 Ų | 120.1 | 72% | 0.715 | 63% | 0.633 | S | S | * | * | trans | -134.8 | 77.5 | 159.2 | -71 | -157.7 | 6.8 | 0 | 0 | 113.6 | I2582 | I2582-Q2584 PolarHBondContact O-N 2.93Š| ||
| 2585 | R | 33.2 | Very low | 36.5 | Very low | 176 Ų | 176 | 120.3 Ų | 120.3 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | trans | 53.5 | 122.5 | 140.9 | -58.9 | -176.4 | -178.7 | -162.1 | -3 | 120.5 | ||||
| 2586 | M | 29.6 | Very low | 36.7 | Very low | 186 Ų | 186 | 117.4 Ų | 117.4 | 92% | 0.916 | 63% | 0.631 | S | S | * | * | trans | 60.9 | 99 | 156.9 | -63.5 | 179.3 | 70.8 | 0 | 0 | 118.1 | ||||
| 2587 | V | 31.1 | Very low | 37 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 79% | 0.794 | 64% | 0.637 | S | S | * | * | 174.9 | 132.7 | 130 | 150.4 | 0 | 0 | 0 | 0 | 109.8 | G2589 | V2587-G2589 PolarHBondContact O-N 2.86Š| |||
| 2588 | S | 31.4 | Very low | 37.3 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 92% | 0.916 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -103.3 | 51.7 | -158.2 | -178.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 2589 | G | 41.1 | Very low | 37.8 | Very low | 41 Ų | 41 | 114.1 Ų | 114.1 | 42% | 0.423 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -155.4 | -30 | -178.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | V2587 | V2587-G2589 PolarHBondContact O-N 2.86Š|
| 2590 | I | 39.1 | Very low | 38.9 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 61% | 0.61 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -90.9 | -26 | -177.3 | -69.7 | 165.1 | 0 | 0 | 0 | 111.6 | Q2592 V2593 L2594 | I2590-Q2592 PolarHBondContact O-N 3.46Å; I2590-V2593 PolarHBondContact O-N 2.9Å; I2590-L2594 HydrophobicContact CG2-CD1 4.06Å; I2590-L2594 PolarHBondContact O-N 3.42Å |
| 2591 | A | 41 | Very low | 40.1 | Very low | 56 Ų | 56 | 113.3 Ų | 113.3 | 46% | 0.463 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -56 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V2593 L2594 D2595 | A2591-V2593 PolarHBondContact O-N 2.92Å; A2591-V2593 VanDerWaalsContact O-N 3.14Å; A2591-L2594 CarbonylContact O-C 3.6Å; A2591-L2594 PolarHBondContact O-N 3.21Å; A2591-L2594 VanDerWaalsContact O-N 3.12Å; A2591-D2595 VanDerWaalsContact O-CB 3.31Å; A2591-D2595 WeakPolarHBondContact O-CB 3.36Å; A2591-D2595 PolarHBondContact O-N 2.92Å |
| 2592 | Q | 40.7 | Very low | 41.1 | Very low | 158 Ų | 158 | 112 Ų | 112 | 74% | 0.738 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.4 | -24 | 177.6 | -72 | -176.9 | -14.1 | 0 | 0 | 114.3 | I2590 A2596 | I2590-Q2592 PolarHBondContact O-N 3.46Å; Q2592-A2596 WeakPolarHBondContact O-CB 3.3Å; Q2592-A2596 PolarHBondContact O-N 3.27Å |
| 2593 | V | 43.5 | Very low | 42.8 | Very low | 81 Ų | 81 | 110.6 Ų | 110.6 | 49% | 0.491 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -82.7 | -39.6 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | I2590 A2591 A2596 Q2597 | I2590-V2593 PolarHBondContact O-N 2.9Å; A2591-V2593 PolarHBondContact O-N 2.92Å; A2591-V2593 VanDerWaalsContact O-N 3.14Å; V2593-A2596 PolarHBondContact O-N 3.47Å; V2593-Q2597 VanDerWaalsContact O-CB 3.32Å; V2593-Q2597 WeakPolarHBondContact O-CB 3.28Å; V2593-Q2597 VanDerWaalsContact O-CG 3.22Å; V2593-Q2597 WeakPolarHBondContact O-CG 3.38Å; V2593-Q2597 PolarHBondContact O-N 3.05Å |
| 2594 | L | 44.4 | Very low | 44.7 | Very low | 95 Ų | 95 | 110.8 Ų | 110.8 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.1 | -44.2 | 174.4 | -102.6 | 150.9 | 0 | 0 | 0 | 112 | I2590 A2591 A2596 Q2597 E2598 | I2590-L2594 HydrophobicContact CG2-CD1 4.06Å; I2590-L2594 PolarHBondContact O-N 3.42Å; A2591-L2594 CarbonylContact O-C 3.6Å; A2591-L2594 PolarHBondContact O-N 3.21Å; A2591-L2594 VanDerWaalsContact O-N 3.12Å; L2594-A2596 VanDerWaalsContact C-N 3.29Å; L2594-A2596 PolarHBondContact O-N 3.09Å; L2594-Q2597 CarbonylContact O-C 3.45Å; L2594-Q2597 PolarHBondContact O-N 3.02Å; L2594-Q2597 VanDerWaalsContact O-N 3.13Å; L2594-E2598 WeakPolarHBondContact O-CA 3.5Å; L2594-E2598 WeakPolarHBondContact O-CB 3.49Å; L2594-E2598 PolarHBondContact O-N 3.19Å |
| 2595 | D | 40.1 | Very low | 46.2 | Very low | 96 Ų | 96 | 110.7 Ų | 110.7 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.1 | -41.4 | 171 | -67 | -29.3 | 0 | 0 | 0 | 111.1 | A2591 E2599 | A2591-D2595 VanDerWaalsContact O-CB 3.31Å; A2591-D2595 WeakPolarHBondContact O-CB 3.36Å; A2591-D2595 PolarHBondContact O-N 2.92Å; D2595-E2599 WeakPolarHBondContact O-CB 3.45Å; D2595-E2599 PolarHBondContact O-N 3.03Å |
| 2596 | A | 47.2 | Very low | 47.6 | Very low | 51 Ų | 51 | 107 Ų | 107 | 42% | 0.421 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -71.4 | -36.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q2592 V2593 L2594 V2600 | Q2592-A2596 WeakPolarHBondContact O-CB 3.3Å; Q2592-A2596 PolarHBondContact O-N 3.27Å; V2593-A2596 PolarHBondContact O-N 3.47Å; L2594-A2596 VanDerWaalsContact C-N 3.29Å; L2594-A2596 PolarHBondContact O-N 3.09Å; A2596-V2600 VanDerWaalsContact O-CB 3.29Å; A2596-V2600 WeakPolarHBondContact O-CB 3.29Å; A2596-V2600 WeakPolarHBondContact O-CG2 3.39Å; A2596-V2600 PolarHBondContact O-N 2.86Å |
| 2597 | Q | 47.2 | Very low | 49.5 | Very low | 109 Ų | 109 | 102.3 Ų | 102.3 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.3 | -32.7 | 174.3 | -76.8 | 173.9 | -21.2 | 0 | 0 | 112.2 | V2593 L2594 L2601 | V2593-Q2597 VanDerWaalsContact O-CB 3.32Å; V2593-Q2597 WeakPolarHBondContact O-CB 3.28Å; V2593-Q2597 VanDerWaalsContact O-CG 3.22Å; V2593-Q2597 WeakPolarHBondContact O-CG 3.38Å; V2593-Q2597 PolarHBondContact O-N 3.05Å; L2594-Q2597 CarbonylContact O-C 3.45Å; L2594-Q2597 PolarHBondContact O-N 3.02Å; L2594-Q2597 VanDerWaalsContact O-N 3.13Å; Q2597-L2601 VanDerWaalsContact O-CB 3.26Å; Q2597-L2601 WeakPolarHBondContact O-CB 3.42Å; Q2597-L2601 WeakPolarHBondContact O-CD1 3.27Å; Q2597-L2601 VanDerWaalsContact O-CG 3.23Å; Q2597-L2601 WeakPolarHBondContact O-CG 3.49Å; Q2597-L2601 PolarHBondContact O-N 3.02Å |
| 2598 | E | 44 | Very low | 51.4 | Low | 126 Ų | 126 | 100.8 Ų | 100.8 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -77.7 | -38.7 | 176.8 | -173 | 176.9 | 160.4 | 0 | 0 | 110.6 | L2594 V2600 L2601 R2602 | L2594-E2598 WeakPolarHBondContact O-CA 3.5Å; L2594-E2598 WeakPolarHBondContact O-CB 3.49Å; L2594-E2598 PolarHBondContact O-N 3.19Å; E2598-V2600 VanDerWaalsContact C-N 3.32Å; E2598-L2601 PolarHBondContact O-N 3.16Å; E2598-R2602 WeakPolarHBondContact O-CA 3.2Å; E2598-R2602 WeakPolarHBondContact O-CB 3.34Å; E2598-R2602 PolarHBondContact O-N 3.4Å |
| 2599 | E | 49.5 | Very low | 53 | Low | 89 Ų | 89 | 99.9 Ų | 99.9 | 42% | 0.416 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.3 | -30.1 | 171.3 | -156.6 | -165.3 | -169.8 | 0 | 0 | 111.3 | D2595 K2603 | D2595-E2599 WeakPolarHBondContact O-CB 3.45Å; D2595-E2599 PolarHBondContact O-N 3.03Å; E2599-K2603 HydrophobicContact CG-CD 4.4Å; E2599-K2603 WeakPolarHBondContact O-CB 3.34Å; E2599-K2603 WeakPolarHBondContact O-CD 3.41Å; E2599-K2603 WeakPolarHBondContact O-CG 3.32Å; E2599-K2603 PolarHBondContact O-N 3.1Å; E2599-K2603 WeakPolarHBondContact OE1-CE 3.12Å; E2599-K2603 IonicContact OE1-NZ 3.98Å; E2599-K2603 PolarHBondContact OE1-NZ 3.47Å; E2599-K2603 IonicContact OE2-NZ 2.78Å; E2599-K2603 PolarHBondContact OE2-NZ 3.06Å; E2599-K2603 VanDerWaalsContact OE2-NZ 3.08Å |
| 2600 | V | 57 | Low | 54.2 | Low | 78 Ų | 78 | 100.5 Ų | 100.5 | 47% | 0.473 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68 | -50.5 | 167.1 | 165.2 | 0 | 0 | 0 | 0 | 110.8 | A2596 E2598 R2602 K2603 E2604 | A2596-V2600 VanDerWaalsContact O-CB 3.29Å; A2596-V2600 WeakPolarHBondContact O-CB 3.29Å; A2596-V2600 WeakPolarHBondContact O-CG2 3.39Å; A2596-V2600 PolarHBondContact O-N 2.86Å; E2598-V2600 VanDerWaalsContact C-N 3.32Å; V2600-R2602 VanDerWaalsContact C-N 3.29Å; V2600-R2602 PolarHBondContact O-N 3.35Å; V2600-K2603 CarbonylContact O-C 3.09Å; V2600-K2603 PolarHBondContact O-N 2.9Å; V2600-E2604 HydrophobicContact CG1-CG 4.38Å; V2600-E2604 WeakPolarHBondContact O-CB 3.27Å; V2600-E2604 VanDerWaalsContact O-CG 3.3Å; V2600-E2604 WeakPolarHBondContact O-CG 3.33Å; V2600-E2604 PolarHBondContact O-N 2.84Å |
| 2601 | L | 56.2 | Low | 55.6 | Low | 106 Ų | 106 | 101.3 Ų | 101.3 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -32.1 | 177.9 | -79.5 | 164.2 | 0 | 0 | 0 | 112.8 | Q2597 E2598 E2604 R2605 | Q2597-L2601 VanDerWaalsContact O-CB 3.26Å; Q2597-L2601 WeakPolarHBondContact O-CB 3.42Å; Q2597-L2601 WeakPolarHBondContact O-CD1 3.27Å; Q2597-L2601 VanDerWaalsContact O-CG 3.23Å; Q2597-L2601 WeakPolarHBondContact O-CG 3.49Å; Q2597-L2601 PolarHBondContact O-N 3.02Å; E2598-L2601 PolarHBondContact O-N 3.16Å; L2601-E2604 PolarHBondContact O-N 3.03Å; L2601-R2605 WeakPolarHBondContact O-CB 3.48Å; L2601-R2605 PolarHBondContact O-N 3.31Å |
| 2602 | R | 53.7 | Low | 56.9 | Low | 136 Ų | 136 | 103.1 Ų | 103.1 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -74.2 | -42.9 | 173.7 | -159.6 | -169.8 | 85.1 | -149.2 | -2.9 | 110.5 | E2598 V2600 E2604 R2605 E2606 | E2598-R2602 WeakPolarHBondContact O-CA 3.2Å; E2598-R2602 WeakPolarHBondContact O-CB 3.34Å; E2598-R2602 PolarHBondContact O-N 3.4Å; V2600-R2602 VanDerWaalsContact C-N 3.29Å; V2600-R2602 PolarHBondContact O-N 3.35Å; R2602-E2604 PolarHBondContact O-N 3.44Å; R2602-R2605 PolarHBondContact O-N 2.95Å; R2602-E2606 IonicContact CZ-OE1 3.86Å; R2602-E2606 IonicContact NE-OE1 3.32Å; R2602-E2606 PolarHBondContact NE-OE1 3.26Å; R2602-E2606 IonicContact NH2-OE1 3.06Å; R2602-E2606 PolarHBondContact NH2-OE1 3.26Å; R2602-E2606 VanDerWaalsContact O-CB 3.24Å; R2602-E2606 WeakPolarHBondContact O-CB 3.19Å; R2602-E2606 WeakPolarHBondContact O-CG 3.13Å; R2602-E2606 PolarHBondContact O-N 2.77Å |
| 2603 | K | 68.9 | Low | 58 | Low | 101 Ų | 101 | 101.4 Ų | 101.4 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -28.9 | 170.5 | -76.3 | 169.2 | -173.3 | 157.1 | 0 | 112 | E2599 V2600 L2607 | E2599-K2603 HydrophobicContact CG-CD 4.4Å; E2599-K2603 WeakPolarHBondContact O-CB 3.34Å; E2599-K2603 WeakPolarHBondContact O-CD 3.41Å; E2599-K2603 WeakPolarHBondContact O-CG 3.32Å; E2599-K2603 PolarHBondContact O-N 3.1Å; E2599-K2603 WeakPolarHBondContact OE1-CE 3.12Å; E2599-K2603 IonicContact OE1-NZ 3.98Å; E2599-K2603 PolarHBondContact OE1-NZ 3.47Å; E2599-K2603 IonicContact OE2-NZ 2.78Å; E2599-K2603 PolarHBondContact OE2-NZ 3.06Å; E2599-K2603 VanDerWaalsContact OE2-NZ 3.08Å; V2600-K2603 CarbonylContact O-C 3.09Å; V2600-K2603 PolarHBondContact O-N 2.9Å; K2603-L2607 WeakPolarHBondContact O-CB 3.19Å; K2603-L2607 PolarHBondContact O-N 2.8Å |
| 2604 | E | 69 | Low | 58.9 | Low | 107 Ų | 107 | 101.6 Ų | 101.6 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.4 | -45.2 | 172.7 | -76 | 176.4 | 162.3 | 0 | 0 | 111.4 | V2600 L2601 R2602 L2607 E2608 | V2600-E2604 HydrophobicContact CG1-CG 4.38Å; V2600-E2604 WeakPolarHBondContact O-CB 3.27Å; V2600-E2604 VanDerWaalsContact O-CG 3.3Å; V2600-E2604 WeakPolarHBondContact O-CG 3.33Å; V2600-E2604 PolarHBondContact O-N 2.84Å; L2601-E2604 PolarHBondContact O-N 3.03Å; R2602-E2604 PolarHBondContact O-N 3.44Å; E2604-L2607 CarbonylContact O-C 3.58Å; E2604-L2607 PolarHBondContact O-N 2.78Å; E2604-E2608 VanDerWaalsContact O-CB 3.26Å; E2604-E2608 WeakPolarHBondContact O-CB 3.47Å; E2604-E2608 PolarHBondContact O-N 3.24Å |
| 2605 | R | 61.5 | Low | 59.9 | Low | 152 Ų | 152 | 99.2 Ų | 99.2 | 57% | 0.574 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 169.8 | -86.8 | -174.6 | 176.3 | -175.9 | 0.6 | 111.7 | E2577 L2601 R2602 E2608 E2609 | E2577-R2605 IonicContact OE1-CZ 3.72Å; E2577-R2605 IonicContact OE1-NH1 3.31Å; E2577-R2605 PolarHBondContact OE1-NH1 3.05Å; E2577-R2605 IonicContact OE1-NH2 2.73Å; E2577-R2605 PolarHBondContact OE1-NH2 3.12Å; E2577-R2605 IonicContact OE2-CZ 2.98Å; E2577-R2605 IonicContact OE2-NH1 2.77Å; E2577-R2605 PolarHBondContact OE2-NH1 3.48Å; E2577-R2605 IonicContact OE2-NH2 3.93Å; L2601-R2605 WeakPolarHBondContact O-CB 3.48Å; L2601-R2605 PolarHBondContact O-N 3.31Å; R2602-R2605 PolarHBondContact O-N 2.95Å; R2605-E2608 PolarHBondContact O-N 3.38Å; R2605-E2609 WeakPolarHBondContact O-CB 3.5Å; R2605-E2609 PolarHBondContact O-N 3.28Å |
| 2606 | E | 64.5 | Low | 60.8 | Low | 97 Ų | 97 | 97.2 Ų | 97.2 | 45% | 0.453 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 174.7 | -74.9 | 171.1 | -153.6 | 0 | 0 | 111.5 | R2602 A2610 | R2602-E2606 IonicContact CZ-OE1 3.86Å; R2602-E2606 IonicContact NE-OE1 3.32Å; R2602-E2606 PolarHBondContact NE-OE1 3.26Å; R2602-E2606 IonicContact NH2-OE1 3.06Å; R2602-E2606 PolarHBondContact NH2-OE1 3.26Å; R2602-E2606 VanDerWaalsContact O-CB 3.24Å; R2602-E2606 WeakPolarHBondContact O-CB 3.19Å; R2602-E2606 WeakPolarHBondContact O-CG 3.13Å; R2602-E2606 PolarHBondContact O-N 2.77Å; E2606-A2610 WeakPolarHBondContact O-CB 3.39Å; E2606-A2610 PolarHBondContact O-N 2.63Å |
| 2607 | L | 69.2 | Low | 61.6 | Low | 88 Ų | 88 | 99.6 Ų | 99.6 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.5 | -38.1 | 175.4 | -171.9 | 79.3 | 0 | 0 | 0 | 111.4 | K2603 E2604 A2610 R2611 | K2603-L2607 WeakPolarHBondContact O-CB 3.19Å; K2603-L2607 PolarHBondContact O-N 2.8Å; E2604-L2607 CarbonylContact O-C 3.58Å; E2604-L2607 PolarHBondContact O-N 2.78Å; L2607-A2610 CarbonylContact O-C 3.52Å; L2607-A2610 PolarHBondContact O-N 2.84Å; L2607-R2611 VanDerWaalsContact O-CB 3.29Å; L2607-R2611 WeakPolarHBondContact O-CB 3.42Å; L2607-R2611 WeakPolarHBondContact O-CD 3.36Å; L2607-R2611 WeakPolarHBondContact O-CG 3.45Å; L2607-R2611 PolarHBondContact O-N 3.46Å |
| 2608 | E | 71.1 | Confident | 62.4 | Low | 99 Ų | 99 | 101.7 Ų | 101.7 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.5 | -40.1 | 179.1 | -149.8 | 63.3 | -164.5 | 0 | 0 | 110.5 | E2604 R2605 R2611 V2612 | E2604-E2608 VanDerWaalsContact O-CB 3.26Å; E2604-E2608 WeakPolarHBondContact O-CB 3.47Å; E2604-E2608 PolarHBondContact O-N 3.24Å; R2605-E2608 PolarHBondContact O-N 3.38Å; E2608-R2611 CarbonylContact O-C 3.31Å; E2608-R2611 WeakPolarHBondContact O-CB 3.27Å; E2608-R2611 PolarHBondContact O-N 3.34Å; E2608-R2611 WeakPolarHBondContact OE2-CD 3.35Å; E2608-R2611 IonicContact OE2-CZ 3.2Å; E2608-R2611 IonicContact OE2-NE 3.86Å; E2608-R2611 IonicContact OE2-NH1 2.76Å; E2608-R2611 PolarHBondContact OE2-NH1 2.92Å; E2608-V2612 WeakPolarHBondContact O-CB 3.44Å; E2608-V2612 VanDerWaalsContact O-CG2 3.26Å; E2608-V2612 WeakPolarHBondContact O-CG2 3.21Å; E2608-V2612 PolarHBondContact O-N 3.45Å |
| 2609 | E | 63.8 | Low | 62.9 | Low | 113 Ų | 113 | 103.3 Ų | 103.3 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 166.1 | -87 | -154.2 | -169.8 | 0 | 0 | 112.4 | R2605 R2611 V2612 K2613 | R2605-E2609 WeakPolarHBondContact O-CB 3.5Å; R2605-E2609 PolarHBondContact O-N 3.28Å; E2609-R2611 VanDerWaalsContact C-N 3.29Å; E2609-R2611 PolarHBondContact O-N 3.15Å; E2609-V2612 PolarHBondContact O-N 2.71Å; E2609-K2613 VanDerWaalsContact O-CB 3.27Å; E2609-K2613 WeakPolarHBondContact O-CB 3.44Å; E2609-K2613 WeakPolarHBondContact O-CG 3.18Å; E2609-K2613 PolarHBondContact O-N 3.04Å; E2609-K2613 IonicContact OE2-NZ 2.58Å; E2609-K2613 PolarHBondContact OE2-NZ 3.46Å |
| 2610 | A | 66.9 | Low | 63.1 | Low | 54 Ų | 54 | 102.1 Ų | 102.1 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -33.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E2606 L2607 L2614 | E2606-A2610 WeakPolarHBondContact O-CB 3.39Å; E2606-A2610 PolarHBondContact O-N 2.63Å; L2607-A2610 CarbonylContact O-C 3.52Å; L2607-A2610 PolarHBondContact O-N 2.84Å; A2610-L2614 WeakPolarHBondContact O-CB 3.36Å; A2610-L2614 PolarHBondContact O-N 3Å |
| 2611 | R | 68.4 | Low | 62.7 | Low | 136 Ų | 136 | 106.7 Ų | 106.7 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.8 | -39.7 | 171.5 | -78.2 | 162.6 | 171 | -173.2 | -0.2 | 111.7 | L2607 E2608 E2609 L2614 A2615 | L2607-R2611 VanDerWaalsContact O-CB 3.29Å; L2607-R2611 WeakPolarHBondContact O-CB 3.42Å; L2607-R2611 WeakPolarHBondContact O-CD 3.36Å; L2607-R2611 WeakPolarHBondContact O-CG 3.45Å; L2607-R2611 PolarHBondContact O-N 3.46Å; E2608-R2611 CarbonylContact O-C 3.31Å; E2608-R2611 WeakPolarHBondContact O-CB 3.27Å; E2608-R2611 PolarHBondContact O-N 3.34Å; E2608-R2611 WeakPolarHBondContact OE2-CD 3.35Å; E2608-R2611 IonicContact OE2-CZ 3.2Å; E2608-R2611 IonicContact OE2-NE 3.86Å; E2608-R2611 IonicContact OE2-NH1 2.76Å; E2608-R2611 PolarHBondContact OE2-NH1 2.92Å; E2609-R2611 VanDerWaalsContact C-N 3.29Å; E2609-R2611 PolarHBondContact O-N 3.15Å; R2611-L2614 CarbonylContact O-C 3.55Å; R2611-L2614 PolarHBondContact O-N 3.18Å; R2611-A2615 WeakPolarHBondContact O-CB 3.15Å; R2611-A2615 PolarHBondContact O-N 2.84Å |
| 2612 | V | 68.3 | Low | 62.2 | Low | 94 Ų | 94 | 110.9 Ų | 110.9 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.5 | -42.8 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | E2608 E2609 A2615 A2616 | E2608-V2612 WeakPolarHBondContact O-CB 3.44Å; E2608-V2612 VanDerWaalsContact O-CG2 3.26Å; E2608-V2612 WeakPolarHBondContact O-CG2 3.21Å; E2608-V2612 PolarHBondContact O-N 3.45Å; E2609-V2612 PolarHBondContact O-N 2.71Å; V2612-A2615 CarbonylContact O-C 3.18Å; V2612-A2615 PolarHBondContact O-N 2.93Å; V2612-A2616 VanDerWaalsContact O-CB 3.24Å; V2612-A2616 WeakPolarHBondContact O-CB 3.26Å; V2612-A2616 PolarHBondContact O-N 3.37Å |
| 2613 | K | 63.4 | Low | 61.5 | Low | 122 Ų | 122 | 112.8 Ų | 112.8 | 53% | 0.53 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 171 | -76.3 | 162.6 | 176.9 | 152.4 | 0 | 110.9 | E2609 A2615 A2616 I2617 | E2609-K2613 VanDerWaalsContact O-CB 3.27Å; E2609-K2613 WeakPolarHBondContact O-CB 3.44Å; E2609-K2613 WeakPolarHBondContact O-CG 3.18Å; E2609-K2613 PolarHBondContact O-N 3.04Å; E2609-K2613 IonicContact OE2-NZ 2.58Å; E2609-K2613 PolarHBondContact OE2-NZ 3.46Å; K2613-A2615 PolarHBondContact O-N 2.83Å; K2613-A2616 PolarHBondContact O-N 3.19Å; K2613-I2617 VanDerWaalsContact O-CB 3.31Å; K2613-I2617 WeakPolarHBondContact O-CB 3.49Å; K2613-I2617 WeakPolarHBondContact O-CD1 3.35Å; K2613-I2617 WeakPolarHBondContact O-CG1 3.44Å; K2613-I2617 PolarHBondContact O-N 3.18Å |
| 2614 | L | 63.3 | Low | 60.2 | Low | 85 Ų | 85 | 115.6 Ų | 115.6 | 45% | 0.445 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -36.6 | 174 | -171.3 | 75.5 | 0 | 0 | 0 | 111.9 | A2610 R2611 R2618 | A2610-L2614 WeakPolarHBondContact O-CB 3.36Å; A2610-L2614 PolarHBondContact O-N 3Å; R2611-L2614 CarbonylContact O-C 3.55Å; R2611-L2614 PolarHBondContact O-N 3.18Å; L2614-R2618 VanDerWaalsContact O-CB 3.24Å; L2614-R2618 WeakPolarHBondContact O-CB 3.18Å; L2614-R2618 WeakPolarHBondContact O-CG 3.29Å; L2614-R2618 PolarHBondContact O-N 3.29Å |
| 2615 | A | 63.9 | Low | 58.5 | Low | 44 Ų | 44 | 119.6 Ų | 119.6 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -73.5 | -33.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | R2611 V2612 K2613 K2619 | R2611-A2615 WeakPolarHBondContact O-CB 3.15Å; R2611-A2615 PolarHBondContact O-N 2.84Å; V2612-A2615 CarbonylContact O-C 3.18Å; V2612-A2615 PolarHBondContact O-N 2.93Å; K2613-A2615 PolarHBondContact O-N 2.83Å; A2615-K2619 VanDerWaalsContact O-CB 3.24Å; A2615-K2619 WeakPolarHBondContact O-CB 3.36Å; A2615-K2619 VanDerWaalsContact O-CG 3.31Å; A2615-K2619 WeakPolarHBondContact O-CG 3.44Å; A2615-K2619 PolarHBondContact O-N 3.38Å |
| 2616 | A | 60.2 | Low | 57.1 | Low | 54 Ų | 54 | 117.9 Ų | 117.9 | 45% | 0.446 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.7 | -43.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | V2612 K2613 K2619 A2620 | V2612-A2616 VanDerWaalsContact O-CB 3.24Å; V2612-A2616 WeakPolarHBondContact O-CB 3.26Å; V2612-A2616 PolarHBondContact O-N 3.37Å; K2613-A2616 PolarHBondContact O-N 3.19Å; A2616-K2619 PolarHBondContact O-N 3.07Å; A2616-A2620 VanDerWaalsContact O-CB 3.26Å; A2616-A2620 WeakPolarHBondContact O-CB 3.39Å; A2616-A2620 PolarHBondContact O-N 2.98Å |
| 2617 | I | 64 | Low | 55.7 | Low | 101 Ų | 101 | 120.5 Ų | 120.5 | 52% | 0.518 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.9 | -39.2 | 172.9 | -70.2 | 164.2 | 0 | 0 | 0 | 110.8 | K2613 K2621 | K2613-I2617 VanDerWaalsContact O-CB 3.31Å; K2613-I2617 WeakPolarHBondContact O-CB 3.49Å; K2613-I2617 WeakPolarHBondContact O-CD1 3.35Å; K2613-I2617 WeakPolarHBondContact O-CG1 3.44Å; K2613-I2617 PolarHBondContact O-N 3.18Å; I2617-K2621 WeakPolarHBondContact O-CB 3.23Å; I2617-K2621 PolarHBondContact O-N 2.95Å |
| 2618 | R | 62.8 | Low | 54 | Low | 153 Ų | 153 | 119.9 Ų | 119.9 | 58% | 0.577 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.4 | -49 | 171.4 | -77.5 | 170.7 | 176.3 | -173.8 | -0.2 | 111 | L2614 A2620 K2621 Y2622 | L2614-R2618 VanDerWaalsContact O-CB 3.24Å; L2614-R2618 WeakPolarHBondContact O-CB 3.18Å; L2614-R2618 WeakPolarHBondContact O-CG 3.29Å; L2614-R2618 PolarHBondContact O-N 3.29Å; R2618-A2620 VanDerWaalsContact C-N 3.29Å; R2618-A2620 PolarHBondContact O-N 3.18Å; R2618-K2621 PolarHBondContact O-N 2.91Å; R2618-Y2622 HydrophobicContact CB-CD2 4.48Å; R2618-Y2622 WeakPolarHBondContact O-CD2 3.37Å; R2618-Y2622 PolarHBondContact O-N 3.04Å |
| 2619 | K | 55.9 | Low | 52.1 | Low | 160 Ų | 160 | 118.6 Ų | 118.6 | 70% | 0.696 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -59 | -38.4 | 176.2 | -83.2 | 176.5 | 173.9 | 175.7 | 0 | 112 | A2615 A2616 Y2622 K2623 | A2615-K2619 VanDerWaalsContact O-CB 3.24Å; A2615-K2619 WeakPolarHBondContact O-CB 3.36Å; A2615-K2619 VanDerWaalsContact O-CG 3.31Å; A2615-K2619 WeakPolarHBondContact O-CG 3.44Å; A2615-K2619 PolarHBondContact O-N 3.38Å; A2616-K2619 PolarHBondContact O-N 3.07Å; K2619-Y2622 PolarHBondContact O-N 3.5Å; K2619-K2623 WeakPolarHBondContact O-CB 3.48Å; K2619-K2623 PolarHBondContact O-N 2.73Å; K2619-K2623 VanDerWaalsContact O-N 3.12Å |
| 2620 | A | 53.7 | Low | 50.6 | Low | 64 Ų | 64 | 118.5 Ų | 118.5 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.2 | -47.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A2616 R2618 Y2622 K2623 | A2616-A2620 VanDerWaalsContact O-CB 3.26Å; A2616-A2620 WeakPolarHBondContact O-CB 3.39Å; A2616-A2620 PolarHBondContact O-N 2.98Å; R2618-A2620 VanDerWaalsContact C-N 3.29Å; R2618-A2620 PolarHBondContact O-N 3.18Å; A2620-Y2622 PolarHBondContact O-N 3.33Å; A2620-Y2622 VanDerWaalsContact O-N 3.12Å; A2620-K2623 PolarHBondContact O-N 3.43Å; A2620-K2623 VanDerWaalsContact O-N 3.16Å |
| 2621 | K | 47.3 | Very low | 48.9 | Very low | 174 Ų | 174 | 124.4 Ų | 124.4 | 76% | 0.757 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60 | -19.6 | 174.2 | -92.9 | -173.4 | 168.5 | -179.5 | 0 | 114.5 | I2617 R2618 | I2617-K2621 WeakPolarHBondContact O-CB 3.23Å; I2617-K2621 PolarHBondContact O-N 2.95Å; R2618-K2621 PolarHBondContact O-N 2.91Å |
| 2622 | Y | 46.4 | Very low | 47 | Very low | 195 Ų | 195 | 126.6 Ų | 126.6 | 77% | 0.765 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 1.4 | 178.3 | -67.8 | -58.4 | 0 | 0 | 0 | 114.4 | R2618 K2619 A2620 | R2618-Y2622 HydrophobicContact CB-CD2 4.48Å; R2618-Y2622 WeakPolarHBondContact O-CD2 3.37Å; R2618-Y2622 PolarHBondContact O-N 3.04Å; K2619-Y2622 PolarHBondContact O-N 3.5Å; A2620-Y2622 PolarHBondContact O-N 3.33Å; A2620-Y2622 VanDerWaalsContact O-N 3.12Å |
| 2623 | K | 39.2 | Very low | 45.1 | Very low | 175 Ų | 175 | 125.5 Ų | 125.5 | 76% | 0.761 | 69% | 0.688 | S | S | * | * | trans | -88 | -8.4 | -176.4 | -119.5 | -177.4 | 174.3 | -174.6 | 0 | 115.9 | K2619 A2620 K2625 | K2619-K2623 WeakPolarHBondContact O-CB 3.48Å; K2619-K2623 PolarHBondContact O-N 2.73Å; K2619-K2623 VanDerWaalsContact O-N 3.12Å; A2620-K2623 PolarHBondContact O-N 3.43Å; A2620-K2623 VanDerWaalsContact O-N 3.16Å; K2623-K2625 PolarHBondContact O-N 2.89Å | ||
| 2624 | D | 41 | Very low | 43.7 | Very low | 161 Ų | 161 | 125.3 Ų | 125.3 | 86% | 0.861 | 70% | 0.702 | S | S | * | * | trans | -79.6 | 44.2 | 178.1 | -85.4 | -25.7 | 0 | 0 | 0 | 113.9 | ||||
| 2625 | K | 33.6 | Very low | 42.3 | Very low | 190 Ų | 190 | 126 Ų | 126 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | trans | -136.4 | 123.8 | 168.6 | -78.1 | -170.6 | 175.2 | 179.9 | 0 | 111.3 | K2623 | K2623-K2625 PolarHBondContact O-N 2.89Š| ||
| 2626 | P | 31.7 | Very low | 40.6 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | trans | -91.6 | -179.5 | -172 | 36.9 | -37.2 | 0 | 0 | 0 | 114.2 | ||||
| 2627 | V | 34.9 | Very low | 39.2 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 92% | 0.915 | 74% | 0.744 | S | S | * | * | trans | 81 | 130.6 | 175.5 | -166.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2628 | G | 33.7 | Very low | 37.7 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | cis | 156.3 | 144 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2629 | G | 31.7 | Very low | 36.1 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | 114.9 | 103.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2630 | S | 32.1 | Very low | 35.1 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | 42.6 | 126.6 | 133.6 | 60.3 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 2631 | H | 30.9 | Very low | 34.1 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | 77.5 | 141.4 | 136.1 | -95.9 | -96.6 | 0 | 0 | 0 | 124.1 | ||||
| 2632 | E | 29.5 | Very low | 33.4 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 75.4 | 106 | 158.5 | -66.6 | -178.2 | 174 | 0 | 0 | 123 | ||||
| 2633 | G | 28.9 | Very low | 32.9 | Very low | 70 Ų | 70 | 142.1 Ų | 142.1 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | 74 | 105.6 | 113.6 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 2634 | S | 32.7 | Very low | 32.6 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 64.4 | 171.6 | 150.5 | 75 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 2635 | P | 34.6 | Very low | 32.1 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | cis | -129.9 | -159.3 | -33 | 34.9 | -13.9 | 0 | 0 | 0 | 112.9 | ||||
| 2636 | E | 27.6 | Very low | 32 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 73.3 | 102.6 | 146.8 | -79.1 | 163.7 | -171.6 | 0 | 0 | 123.7 | ||||
| 2637 | V | 30.4 | Very low | 32.1 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | 59.4 | 122 | 103.5 | 174 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 2638 | M | 32.9 | Very low | 31.9 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | trans | 45.7 | 133.8 | 148.6 | -66.9 | -173.6 | -71 | 0 | 0 | 122.2 | ||||
| 2639 | D | 29.8 | Very low | 31.8 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | -168.8 | 131.7 | 111.2 | -104.3 | 8.3 | 0 | 0 | 0 | 114.6 | |||||
| 2640 | Y | 34.9 | Very low | 31.8 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | 32.5 | 154.6 | 151.9 | -59.5 | -81.4 | 0 | 0 | 0 | 124.4 | ||||
| 2641 | S | 32.2 | Very low | 31.7 | Very low | 82 Ų | 82 | 148.5 Ų | 148.5 | 57% | 0.573 | 79% | 0.785 | S | S | * | * | cis | -177.1 | -178.9 | -28.9 | 59.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2642 | D | 32.7 | Very low | 31.8 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 79.5 | 65.6 | 160.4 | -53.6 | -0.9 | 0 | 0 | 0 | 118.4 | ||||
| 2643 | F | 35.6 | Very low | 32 | Very low | 283 Ų | 283 | 142.8 Ų | 142.8 | 100% | 1.241 | 78% | 0.776 | S | S | * | * | -170.1 | 0 | 104.9 | -116.1 | -84.5 | 0 | 0 | 0 | 112.6 |
Retrieved 2,643 of 2,643 residues in 1457.8 ms
(Link to these results)