| 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 | 33.2 | Very low | 77.3 | Confident | 205 Ų | 205 | 73.4 Ų | 73.4 | 100% | 1.01 | 34% | 0.342 | S | S | * | . | 0 | 115.9 | 0 | -64.8 | 176.9 | -170.3 | 0 | 0 | 107.2 | |||||
| 2 | K | 46.6 | Very low | 78.6 | Confident | 181 Ų | 181 | 70.8 Ų | 70.8 | 79% | 0.787 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -61 | 135.5 | 161.3 | -85.5 | 179 | 172.8 | 179.3 | 0 | 106.5 | E4 E909 | K2-E4 PolarHBondContact O-N 3.32Å; K2-E909 PolarHBondContact N-OE1 3.15Å |
| 3 | Q | 59.8 | Low | 79.5 | Confident | 117 Ų | 117 | 77.4 Ų | 77.4 | 55% | 0.547 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 124.7 | 170.4 | -75.3 | -176.6 | -48.6 | 0 | 0 | 108.1 | V28 | Q3-V28 HydrophobicContact CB-CG2 4.09Å; Q3-V28 HydrophobicContact CG-CG2 4.47Å |
| 4 | E | 69.9 | Low | 80.4 | Confident | 69 Ų | 69 | 71.9 Ų | 71.9 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 130.3 | 171.4 | -167.4 | 176.2 | 168.8 | 0 | 0 | 108.5 | K2 L6 V28 R647 | K2-E4 PolarHBondContact O-N 3.32Å; E4-L6 HydrophobicContact CG-CD2 4.17Å; E4-V28 PolarHBondContact O-N 3.19Å; E4-R647 WeakPolarHBondContact OE1-CD 3.36Å; E4-R647 IonicContact OE1-NH1 3.78Å |
| 5 | V | 84 | Confident | 81.2 | Confident | 27 Ų | 27 | 71.5 Ų | 71.5 | 16% | 0.164 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125 | 173.8 | -173.6 | 0 | 0 | 0 | 0 | 108.5 | V28 H30 S645 A646 R647 | V5-V28 CarbonylContact C-O 3.53Å; V5-V28 WeakPolarHBondContact CA-O 3.43Å; V5-V28 HydrophobicContact CG1-CG1 4.34Å; V5-V28 HydrophobicContact CG2-CB 4.28Å; V5-V28 HydrophobicContact CG2-CG1 4.46Å; V5-H30 HydrophobicContact CG1-CB 4.21Å; V5-H30 VanDerWaalsContact CG1-CG 3.48Å; V5-H30 WeakPolarHBondContact CG1-ND1 3.49Å; V5-S645 WeakPolarHBondContact CB-O 3.48Å; V5-S645 WeakPolarHBondContact CG2-O 3.35Å; V5-S645 PolarHBondContact N-O 3.23Å; V5-S645 VanDerWaalsContact N-O 3.1Å; V5-A646 HydrophobicContact CB-CB 4.37Å; V5-A646 HydrophobicContact CG1-CB 4.43Å; V5-A646 CarbonylContact O-C 3.58Å; V5-A646 VanDerWaalsContact O-CA 3.23Å; V5-A646 WeakPolarHBondContact O-CA 3.42Å; V5-R647 PolarHBondContact O-N 3.43Å |
| 6 | L | 89 | Confident | 81.8 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.2 | -179.5 | -60.3 | 173.3 | 0 | 0 | 0 | 109.4 | E4 I23 D27 V28 V29 H30 R647 L649 | E4-L6 HydrophobicContact CG-CD2 4.17Å; L6-I23 HydrophobicContact CD1-CB 4.05Å; L6-I23 HydrophobicContact CD1-CG2 3.54Å; L6-D27 HydrophobicContact CD1-CB 4.04Å; L6-V28 PolarHBondContact N-O 3.11Å; L6-V29 HydrophobicContact CB-CG2 4.49Å; L6-V29 CarbonylContact O-C 3.56Å; L6-V29 VanDerWaalsContact O-CA 3.28Å; L6-V29 WeakPolarHBondContact O-CA 3.4Å; L6-H30 PolarHBondContact O-N 2.59Å; L6-R647 CarbonylContact C-O 3.51Å; L6-R647 VanDerWaalsContact CA-O 3.26Å; L6-R647 WeakPolarHBondContact CA-O 3.46Å; L6-R647 HydrophobicContact CD2-CB 4.2Å; L6-R647 HydrophobicContact CD2-CG 4.39Å; L6-L649 HydrophobicContact CB-CB 4.47Å; L6-L649 HydrophobicContact CD1-CD1 4.18Å |
| 7 | Q | 90.5 | Very high | 82.3 | Confident | 71 Ų | 71 | 65.7 Ų | 65.7 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 114.4 | 179.8 | -69 | -176.7 | -27.1 | 0 | 0 | 110.8 | H30 V32 A646 R647 L649 | Q7-H30 CarbonylContact C-O 3.33Å; Q7-H30 VanDerWaalsContact CA-O 3.27Å; Q7-H30 WeakPolarHBondContact CA-O 3.2Å; Q7-H30 HydrophobicContact CG-CB 4.36Å; Q7-V32 HydrophobicContact CB-CG2 4.03Å; Q7-V32 HydrophobicContact CG-CG2 3.95Å; Q7-A646 HydrophobicContact CG-CB 4.15Å; Q7-R647 PolarHBondContact N-O 3.44Å; Q7-L649 PolarHBondContact O-N 3.48Å |
| 8 | Y | 94.4 | Very high | 82.7 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116.4 | 173.9 | -162.8 | -49.8 | 0 | 0 | 0 | 108.6 | L10 M14 T16 F21 H30 F31 V32 F95 I123 L649 | Y8-L10 HydrophobicContact CD1-CD2 4.27Å; Y8-M14 HydrophobicContact CD1-CE 4.3Å; Y8-M14 HydrophobicContact CE1-CE 3.28Å; Y8-M14 HydrophobicContact CE1-SD 4.47Å; Y8-M14 WeakPolarHBondContact OH-CE 3.4Å; Y8-T16 PolarHBondContact OH-OG1 3Å; Y8-F21 HydrophobicContact CD2-CB 4.4Å; Y8-F21 HydrophobicContact CD2-CD1 4.05Å; Y8-F21 HydrophobicContact CD2-CG 4.28Å; Y8-F21 HydrophobicContact CE1-CD1 4.46Å; Y8-F21 HydrophobicContact CE1-CE1 4.24Å; Y8-F21 HydrophobicContact CE1-CZ 4.3Å; Y8-F21 HydrophobicContact CE2-CB 3.67Å; Y8-F21 AromaticContact CE2-CD1 3.55Å; Y8-F21 HydrophobicContact CE2-CD1 3.55Å; Y8-F21 AromaticContact CE2-CD2 3.88Å; Y8-F21 HydrophobicContact CE2-CD2 3.88Å; Y8-F21 HydrophobicContact CE2-CE1 4.13Å; Y8-F21 HydrophobicContact CE2-CE2 4.41Å; Y8-F21 AromaticContact CE2-CG 3.41Å; Y8-F21 HydrophobicContact CE2-CG 3.41Å; Y8-F21 VanDerWaalsContact CE2-CG 3.41Å; Y8-F21 AromaticContact CZ-CD1 3.77Å; Y8-F21 AromaticContact CZ-CD2 3.74Å; Y8-F21 AromaticContact CZ-CE1 3.89Å; Y8-F21 AromaticContact CZ-CE2 3.85Å; Y8-F21 AromaticContact CZ-CG 3.7Å; Y8-F21 AromaticContact CZ-CZ 3.92Å; Y8-F21 WeakPolarHBondContact OH-CD2 3.18Å; Y8-F21 WeakPolarHBondContact OH-CE2 3.49Å; Y8-H30 PolarHBondContact N-O 3.19Å; Y8-F31 HydrophobicContact CD1-CD1 4.19Å; Y8-F31 HydrophobicContact CD1-CE1 4.49Å; Y8-F31 HydrophobicContact CD2-CD1 4.26Å; Y8-F31 AromaticContact CD2-CE1 3.86Å; Y8-F31 HydrophobicContact CD2-CE1 3.86Å; Y8-F31 AromaticContact CG-CD1 3.77Å; Y8-F31 HydrophobicContact CG-CD1 3.77Å; Y8-F31 AromaticContact CG-CE1 3.85Å; Y8-F31 HydrophobicContact CG-CE1 3.85Å; Y8-F31 CarbonylContact O-C 3.52Å; Y8-F31 VanDerWaalsContact O-CA 3.23Å; Y8-F31 WeakPolarHBondContact O-CA 3.47Å; Y8-V32 PolarHBondContact O-N 2.99Å; Y8-F95 HydrophobicContact CD1-CZ 4.36Å; Y8-F95 AromaticContact CE1-CZ 3.82Å; Y8-F95 HydrophobicContact CE1-CZ 3.82Å; Y8-F95 AromaticContact CE2-CE1 3.91Å; Y8-F95 HydrophobicContact CE2-CE1 3.91Å; Y8-F95 AromaticContact CE2-CZ 3.97Å; Y8-F95 HydrophobicContact CE2-CZ 3.97Å; Y8-F95 AromaticContact CZ-CE1 3.95Å; Y8-F95 AromaticContact CZ-CZ 3.56Å; Y8-I123 HydrophobicContact CD2-CG2 3.98Å; Y8-I123 HydrophobicContact CE2-CG2 3.9Å; Y8-L649 HydrophobicContact CD2-CD2 3.97Å |
| 9 | L | 92.7 | Very high | 83.2 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 22% | 0.22 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 127.6 | 179.7 | -171.1 | 69.5 | 0 | 0 | 0 | 111.7 | D34 | L9-D34 HydrophobicContact CD1-CB 3.97Å; L9-D34 HydrophobicContact CD2-CB 4.31Å; L9-D34 HydrophobicContact CG-CB 4.08Å |
| 10 | L | 96 | Very high | 83.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.2 | 175.1 | -57.9 | -176.9 | 0 | 0 | 0 | 110.6 | Y8 M14 F31 V32 L33 D34 L37 F44 F82 F95 F97 | Y8-L10 HydrophobicContact CD1-CD2 4.27Å; L10-M14 HydrophobicContact CD2-CE 4.3Å; L10-M14 HydrophobicContact CD2-SD 4.04Å; L10-F31 HydrophobicContact CD1-CB 3.82Å; L10-F31 HydrophobicContact CD2-CB 4.29Å; L10-F31 HydrophobicContact CD2-CD1 3.97Å; L10-F31 HydrophobicContact CG-CB 3.99Å; L10-V32 PolarHBondContact N-O 3.14Å; L10-L33 HydrophobicContact CD1-CD2 4.27Å; L10-D34 WeakPolarHBondContact O-CB 3.37Å; L10-D34 PolarHBondContact O-N 3.45Å; L10-L37 HydrophobicContact CB-CD1 3.68Å; L10-L37 VanDerWaalsContact O-CD1 3.3Å; L10-L37 WeakPolarHBondContact O-CD1 3.23Å; L10-F44 HydrophobicContact CD1-CD2 3.68Å; L10-F44 HydrophobicContact CD1-CE2 3.79Å; L10-F44 HydrophobicContact CD2-CE2 4.08Å; L10-F82 HydrophobicContact CD1-CD2 4.04Å; L10-F82 HydrophobicContact CD1-CE2 4.2Å; L10-F95 HydrophobicContact CD2-CD2 4.48Å; L10-F95 HydrophobicContact CD2-CE2 3.71Å; L10-F95 HydrophobicContact CD2-CZ 4.33Å; L10-F97 HydrophobicContact CB-CE1 4.2Å; L10-F97 HydrophobicContact CB-CZ 4.16Å; L10-F97 HydrophobicContact CD1-CD1 4.26Å; L10-F97 HydrophobicContact CD1-CE1 4.39Å; L10-F97 HydrophobicContact CD2-CD1 4.3Å; L10-F97 HydrophobicContact CD2-CE1 3.91Å; L10-F97 HydrophobicContact CG-CE1 4.41Å |
| 11 | Y | 94.1 | Very high | 84.1 | Confident | 87 Ų | 87 | 57.7 Ų | 57.7 | 34% | 0.341 | 27% | 0.274 | S | S | . | . | trans | -134.5 | 160.5 | 177.3 | 57.1 | -86.2 | 0 | 0 | 0 | 111.4 | M14 F97 | Y11-M14 HydrophobicContact CD1-CB 4.24Å; Y11-M14 HydrophobicContact CD1-CG 4.3Å; Y11-M14 HydrophobicContact CD1-SD 4.28Å; Y11-M14 HydrophobicContact CD2-CB 3.83Å; Y11-M14 HydrophobicContact CE1-CB 4.11Å; Y11-M14 HydrophobicContact CE1-CG 3.85Å; Y11-M14 HydrophobicContact CE1-SD 4.17Å; Y11-M14 HydrophobicContact CE2-CB 3.69Å; Y11-M14 HydrophobicContact CE2-CG 4.18Å; Y11-M14 HydrophobicContact CG-CB 4.11Å; Y11-M14 WeakPolarHBondContact O-CB 3.25Å; Y11-M14 PolarHBondContact O-N 2.76Å; Y11-F97 WeakPolarHBondContact O-CZ 3.33Å | ||
| 12 | D | 93.5 | Very high | 86.9 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 145.5 | -178.9 | -164.1 | 21.6 | 0 | 0 | 0 | 110.7 | M14 S36 L37 K99 | D12-M14 PolarHBondContact O-N 3.3Å; D12-M14 VanDerWaalsContact O-N 3.16Å; D12-S36 WeakPolarHBondContact CB-OG 3.47Å; D12-S36 PolarHBondContact N-OG 3.22Å; D12-L37 HydrophobicContact CB-CD2 4.1Å; D12-K99 WeakPolarHBondContact OD1-CD 3.43Å; D12-K99 IonicContact OD1-NZ 3.83Å; D12-K99 PolarHBondContact OD1-NZ 3.39Å; D12-K99 IonicContact OD2-NZ 3.3Å; D12-K99 PolarHBondContact OD2-NZ 3Å |
| 13 | E | 90.3 | Very high | 89 | Confident | 156 Ų | 156 | 42 Ų | 42 | 73% | 0.729 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 16.8 | -172.9 | -53.9 | -179.4 | 173.8 | 0 | 0 | 114.6 | N15 A118 | E13-N15 PolarHBondContact O-N 3.28Å; E13-A118 VanDerWaalsContact CA-O 3.29Å; E13-A118 WeakPolarHBondContact CA-O 3.48Å; E13-A118 PolarHBondContact N-O 2.83Å |
| 14 | M | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 127.5 | 179.9 | 171.4 | -175 | 164.1 | 0 | 0 | 111.9 | Y8 L10 Y11 D12 T16 F95 F97 G119 S120 | Y8-M14 HydrophobicContact CD1-CE 4.3Å; Y8-M14 HydrophobicContact CE1-CE 3.28Å; Y8-M14 HydrophobicContact CE1-SD 4.47Å; Y8-M14 WeakPolarHBondContact OH-CE 3.4Å; L10-M14 HydrophobicContact CD2-CE 4.3Å; L10-M14 HydrophobicContact CD2-SD 4.04Å; Y11-M14 HydrophobicContact CD1-CB 4.24Å; Y11-M14 HydrophobicContact CD1-CG 4.3Å; Y11-M14 HydrophobicContact CD1-SD 4.28Å; Y11-M14 HydrophobicContact CD2-CB 3.83Å; Y11-M14 HydrophobicContact CE1-CB 4.11Å; Y11-M14 HydrophobicContact CE1-CG 3.85Å; Y11-M14 HydrophobicContact CE1-SD 4.17Å; Y11-M14 HydrophobicContact CE2-CB 3.69Å; Y11-M14 HydrophobicContact CE2-CG 4.18Å; Y11-M14 HydrophobicContact CG-CB 4.11Å; Y11-M14 WeakPolarHBondContact O-CB 3.25Å; Y11-M14 PolarHBondContact O-N 2.76Å; D12-M14 PolarHBondContact O-N 3.3Å; D12-M14 VanDerWaalsContact O-N 3.16Å; M14-T16 HydrophobicContact CE-CG2 3.44Å; M14-T16 VanDerWaalsContact CE-CG2 3.44Å; M14-T16 HydrophobicContact CG-CG2 3.93Å; M14-T16 HydrophobicContact SD-CG2 4.49Å; M14-F95 HydrophobicContact CE-CE2 3.6Å; M14-F95 HydrophobicContact CE-CZ 3.44Å; M14-F95 VanDerWaalsContact CE-CZ 3.44Å; M14-F95 HydrophobicContact SD-CE2 4.47Å; M14-F97 HydrophobicContact CB-CZ 4.39Å; M14-F97 HydrophobicContact SD-CE1 4.07Å; M14-F97 HydrophobicContact SD-CZ 4.36Å; M14-G119 CarbonylContact O-C 3.44Å; M14-G119 VanDerWaalsContact O-CA 3.26Å; M14-G119 WeakPolarHBondContact O-CA 3.36Å; M14-S120 PolarHBondContact O-N 3.06Å |
| 15 | N | 91.6 | Very high | 91.1 | Very high | 67 Ų | 67 | 40.7 Ų | 40.7 | 36% | 0.358 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 107.5 | 167.6 | -176.6 | -8.4 | 0 | 0 | 0 | 109.5 | E13 E17 M113 S120 | E13-N15 PolarHBondContact O-N 3.28Å; N15-E17 WeakPolarHBondContact OD1-CB 3.43Å; N15-E17 PolarHBondContact OD1-N 3Å; N15-M113 HydrophobicContact CB-CE 3.83Å; N15-S120 WeakPolarHBondContact CA-O 3.29Å |
| 16 | T | 91.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | trans | -104.1 | 23.2 | 178.8 | 73 | 0 | 0 | 0 | 0 | 113.2 | Y8 M14 G18 Q19 F21 S120 G121 Y122 N604 | Y8-T16 PolarHBondContact OH-OG1 3Å; M14-T16 HydrophobicContact CE-CG2 3.44Å; M14-T16 VanDerWaalsContact CE-CG2 3.44Å; M14-T16 HydrophobicContact CG-CG2 3.93Å; M14-T16 HydrophobicContact SD-CG2 4.49Å; T16-G18 PolarHBondContact O-N 3.14Å; T16-Q19 PolarHBondContact O-N 2.92Å; T16-F21 HydrophobicContact CG2-CE2 3.87Å; T16-F21 HydrophobicContact CG2-CZ 4.39Å; T16-S120 PolarHBondContact N-O 3.4Å; T16-G121 WeakPolarHBondContact OG1-CA 3.49Å; T16-Y122 PolarHBondContact OG1-N 2.59Å; T16-N604 PolarHBondContact O-ND2 3.49Å | ||
| 17 | E | 90 | Very high | 91.1 | Very high | 43 Ų | 43 | 44.6 Ų | 44.6 | 20% | 0.201 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.3 | -178.1 | -166.4 | -177.2 | -177.6 | 0 | 0 | 112.8 | N15 Y122 I601 N604 K605 | N15-E17 WeakPolarHBondContact OD1-CB 3.43Å; N15-E17 PolarHBondContact OD1-N 3Å; E17-Y122 HydrophobicContact CB-CE2 4.5Å; E17-Y122 HydrophobicContact CG-CE2 4.2Å; E17-I601 HydrophobicContact CG-CG1 4.13Å; E17-I601 HydrophobicContact CG-CG2 4.36Å; E17-N604 PolarHBondContact O-ND2 2.91Å; E17-K605 WeakPolarHBondContact OE1-CE 3.26Å; E17-K605 IonicContact OE1-NZ 2.67Å; E17-K605 PolarHBondContact OE1-NZ 2.82Å |
| 18 | G | 89.8 | Confident | 91.1 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 6% | 0.062 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 14.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | T16 N600 | T16-G18 PolarHBondContact O-N 3.14Å; G18-N600 VanDerWaalsContact C-CB 3.48Å; G18-N600 WeakPolarHBondContact O-CB 3.31Å; G18-N600 PolarHBondContact O-ND2 3.23Å |
| 19 | Q | 92.2 | Very high | 91.2 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 34% | 0.341 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -125.8 | 144.4 | 179.1 | -64.4 | 177.3 | -10.5 | 0 | 0 | 110.9 | T16 F21 N604 P651 | T16-Q19 PolarHBondContact O-N 2.92Å; Q19-F21 HydrophobicContact CB-CD2 4.43Å; Q19-F21 HydrophobicContact CB-CE2 3.82Å; Q19-N604 PolarHBondContact O-ND2 2.96Å; Q19-P651 HydrophobicContact CB-CB 4.38Å; Q19-P651 HydrophobicContact CB-CG 4.44Å |
| 20 | L | 91.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -108.9 | 114.6 | -176.2 | -57.3 | -178.7 | 0 | 0 | 0 | 113 | I124 N600 I603 P651 S652 | L20-I124 HydrophobicContact CD2-CD1 3.8Å; L20-N600 WeakPolarHBondContact CD1-OD1 3.33Å; L20-N600 HydrophobicContact CD2-CB 3.82Å; L20-N600 HydrophobicContact CG-CB 4Å; L20-N600 VanDerWaalsContact CG-OD1 3.29Å; L20-N600 WeakPolarHBondContact CG-OD1 3.45Å; L20-I603 HydrophobicContact CD1-CD1 3.75Å; L20-I603 HydrophobicContact CD1-CG2 4.14Å; L20-I603 HydrophobicContact CD2-CB 3.9Å; L20-I603 HydrophobicContact CD2-CD1 4.47Å; L20-I603 HydrophobicContact CD2-CG2 3.61Å; L20-P651 CarbonylContact O-C 3.58Å; L20-P651 WeakPolarHBondContact O-CA 3.37Å; L20-S652 PolarHBondContact O-N 3.29Å; L20-S652 PolarHBondContact O-OG 3.3Å |
| 21 | F | 93.6 | Very high | 91.3 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | trans | -106.8 | 98.6 | 174.1 | -67.3 | -96.7 | 0 | 0 | 0 | 109.1 | Y8 T16 Q19 I123 I124 L649 P651 | Y8-F21 HydrophobicContact CD2-CB 4.4Å; Y8-F21 HydrophobicContact CD2-CD1 4.05Å; Y8-F21 HydrophobicContact CD2-CG 4.28Å; Y8-F21 HydrophobicContact CE1-CD1 4.46Å; Y8-F21 HydrophobicContact CE1-CE1 4.24Å; Y8-F21 HydrophobicContact CE1-CZ 4.3Å; Y8-F21 HydrophobicContact CE2-CB 3.67Å; Y8-F21 AromaticContact CE2-CD1 3.55Å; Y8-F21 HydrophobicContact CE2-CD1 3.55Å; Y8-F21 AromaticContact CE2-CD2 3.88Å; Y8-F21 HydrophobicContact CE2-CD2 3.88Å; Y8-F21 HydrophobicContact CE2-CE1 4.13Å; Y8-F21 HydrophobicContact CE2-CE2 4.41Å; Y8-F21 AromaticContact CE2-CG 3.41Å; Y8-F21 HydrophobicContact CE2-CG 3.41Å; Y8-F21 VanDerWaalsContact CE2-CG 3.41Å; Y8-F21 AromaticContact CZ-CD1 3.77Å; Y8-F21 AromaticContact CZ-CD2 3.74Å; Y8-F21 AromaticContact CZ-CE1 3.89Å; Y8-F21 AromaticContact CZ-CE2 3.85Å; Y8-F21 AromaticContact CZ-CG 3.7Å; Y8-F21 AromaticContact CZ-CZ 3.92Å; Y8-F21 WeakPolarHBondContact OH-CD2 3.18Å; Y8-F21 WeakPolarHBondContact OH-CE2 3.49Å; T16-F21 HydrophobicContact CG2-CE2 3.87Å; T16-F21 HydrophobicContact CG2-CZ 4.39Å; Q19-F21 HydrophobicContact CB-CD2 4.43Å; Q19-F21 HydrophobicContact CB-CE2 3.82Å; F21-I123 WeakPolarHBondContact O-CA 2.96Å; F21-I124 PolarHBondContact O-N 2.8Å; F21-L649 HydrophobicContact CB-CD2 3.88Å; F21-L649 HydrophobicContact CB-CG 4.44Å; F21-L649 HydrophobicContact CD1-CB 4.43Å; F21-L649 HydrophobicContact CD1-CD2 3.94Å; F21-L649 HydrophobicContact CD1-CG 3.87Å; F21-L649 HydrophobicContact CG-CD2 4.41Å; F21-P651 HydrophobicContact CE1-CG 4.23Å; F21-P651 HydrophobicContact CE2-CG 4.26Å; F21-P651 HydrophobicContact CZ-CG 3.77Å | ||
| 22 | R | 91.1 | Very high | 91.3 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 20% | 0.204 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137 | -174.3 | -65.2 | 176.1 | 64 | -156 | -3.7 | 111.2 | I124 D126 L149 S652 | R22-I124 CarbonylContact C-O 3.56Å; R22-I124 WeakPolarHBondContact CA-O 3.32Å; R22-I124 HydrophobicContact CG-CB 4.17Å; R22-I124 HydrophobicContact CG-CG2 4.44Å; R22-D126 IonicContact CZ-OD1 2.77Å; R22-D126 IonicContact CZ-OD2 2.72Å; R22-D126 IonicContact NE-OD1 3.22Å; R22-D126 PolarHBondContact NE-OD1 3.3Å; R22-D126 IonicContact NE-OD2 3.72Å; R22-D126 VanDerWaalsContact NH2-CG 3.28Å; R22-D126 IonicContact NH2-OD1 3.21Å; R22-D126 PolarHBondContact NH2-OD1 2.78Å; R22-D126 VanDerWaalsContact NH2-OD1 3.12Å; R22-D126 IonicContact NH2-OD2 3.3Å; R22-D126 PolarHBondContact NH2-OD2 3.47Å; R22-L149 VanDerWaalsContact NH2-CD1 3.32Å; R22-S652 WeakPolarHBondContact CD-OG 3.43Å |
| 23 | I | 91.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 158.4 | -179.6 | 67.3 | -177.9 | 0 | 0 | 0 | 110.1 | L6 V29 I87 I123 I124 V125 D126 L649 | L6-I23 HydrophobicContact CD1-CB 4.05Å; L6-I23 HydrophobicContact CD1-CG2 3.54Å; I23-V29 HydrophobicContact CD1-CG2 3.72Å; I23-V29 HydrophobicContact CG2-CG2 4.29Å; I23-I87 HydrophobicContact CD1-CD1 3.49Å; I23-I87 VanDerWaalsContact CD1-CD1 3.49Å; I23-I87 HydrophobicContact CD1-CG2 4.47Å; I23-I123 HydrophobicContact CD1-CB 4.46Å; I23-I123 HydrophobicContact CD1-CD1 4.19Å; I23-I124 PolarHBondContact N-O 3.01Å; I23-V125 HydrophobicContact CD1-CG2 3.91Å; I23-V125 HydrophobicContact CG1-CB 4.44Å; I23-V125 HydrophobicContact CG1-CG2 3.83Å; I23-V125 WeakPolarHBondContact O-CA 3.27Å; I23-D126 PolarHBondContact O-N 3.4Å; I23-L649 HydrophobicContact CG2-CD1 4.19Å; I23-L649 HydrophobicContact CG2-CD2 3.78Å |
| 24 | K | 87.2 | Confident | 91.4 | Very high | 120 Ų | 120 | 30.8 Ų | 30.8 | 52% | 0.522 | 15% | 0.15 | S | C | . | . | trans | -96.8 | 164.6 | 176.5 | -63.2 | -173.5 | -179.8 | -170 | 0 | 110.4 | D27 D148 | K24-D27 WeakPolarHBondContact CA-OD2 3.46Å; K24-D27 PolarHBondContact N-OD2 3.22Å; K24-D27 WeakPolarHBondContact O-CB 3.29Å; K24-D27 PolarHBondContact O-N 3.34Å; K24-D148 IonicContact NZ-OD2 3.97Å | ||
| 25 | K | 86.5 | Confident | 91.3 | Very high | 38 Ų | 38 | 32.2 Ų | 32.2 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 146.5 | 170.7 | -68.6 | -176.6 | -176.2 | 172.9 | 0 | 110.5 | D27 S88 V125 D128 N584 | K25-D27 PolarHBondContact O-N 3.07Å; K25-S88 WeakPolarHBondContact CE-O 3.43Å; K25-V125 HydrophobicContact CG-CG1 4.01Å; K25-D128 WeakPolarHBondContact CE-OD1 3.41Å; K25-D128 IonicContact NZ-OD1 3.85Å; K25-D128 PolarHBondContact NZ-OD1 3.48Å; K25-N584 WeakPolarHBondContact CE-OD1 3.49Å; K25-N584 PolarHBondContact NZ-OD1 3.4Å |
| 26 | N | 85.4 | Confident | 91.3 | Very high | 94 Ų | 94 | 31.1 Ų | 31.1 | 50% | 0.503 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -3.6 | -176.7 | -49.9 | -61.2 | 0 | 0 | 0 | 116.6 | I87 | N26-I87 PolarHBondContact N-O 2.58Š|
| 27 | D | 87.5 | Confident | 91.5 | Very high | 20 Ų | 20 | 31 Ų | 31 | 11% | 0.107 | 16% | 0.156 | C | C | . | . | trans | -61.7 | 156.4 | 169.4 | -65.6 | -9.6 | 0 | 0 | 0 | 110.8 | L6 K24 K25 I87 | L6-D27 HydrophobicContact CD1-CB 4.04Å; K24-D27 WeakPolarHBondContact CA-OD2 3.46Å; K24-D27 PolarHBondContact N-OD2 3.22Å; K24-D27 WeakPolarHBondContact O-CB 3.29Å; K24-D27 PolarHBondContact O-N 3.34Å; K25-D27 PolarHBondContact O-N 3.07Å; D27-I87 WeakPolarHBondContact O-CD1 3.35Å; D27-I87 WeakPolarHBondContact O-CG1 3.45Å | ||
| 28 | V | 91.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.7 | 171.5 | 176.6 | 0 | 0 | 0 | 0 | 107.9 | Q3 E4 V5 L6 E83 L84 K85 | Q3-V28 HydrophobicContact CB-CG2 4.09Å; Q3-V28 HydrophobicContact CG-CG2 4.47Å; E4-V28 PolarHBondContact O-N 3.19Å; V5-V28 CarbonylContact C-O 3.53Å; V5-V28 WeakPolarHBondContact CA-O 3.43Å; V5-V28 HydrophobicContact CG1-CG1 4.34Å; V5-V28 HydrophobicContact CG2-CB 4.28Å; V5-V28 HydrophobicContact CG2-CG1 4.46Å; L6-V28 PolarHBondContact N-O 3.11Å; V28-E83 HydrophobicContact CG1-CG 4.04Å; V28-L84 CarbonylContact C-O 3.57Å; V28-L84 WeakPolarHBondContact CA-O 3.23Å; V28-K85 HydrophobicContact CG1-CB 4.41Å; V28-K85 HydrophobicContact CG2-CB 4.21Å |
| 29 | V | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.4 | 177.5 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | L6 I23 F31 L84 I87 | L6-V29 HydrophobicContact CB-CG2 4.49Å; L6-V29 CarbonylContact O-C 3.56Å; L6-V29 VanDerWaalsContact O-CA 3.28Å; L6-V29 WeakPolarHBondContact O-CA 3.4Å; I23-V29 HydrophobicContact CD1-CG2 3.72Å; I23-V29 HydrophobicContact CG2-CG2 4.29Å; V29-F31 HydrophobicContact CB-CE2 4.32Å; V29-F31 HydrophobicContact CG1-CD2 4.26Å; V29-F31 HydrophobicContact CG1-CE1 4.21Å; V29-F31 HydrophobicContact CG1-CE2 3.9Å; V29-F31 HydrophobicContact CG1-CZ 3.88Å; V29-L84 HydrophobicContact CB-CB 4.3Å; V29-L84 PolarHBondContact N-O 3.36Å; V29-L84 PolarHBondContact O-N 2.66Å; V29-I87 HydrophobicContact CG2-CD1 3.99Å |
| 30 | H | 95.4 | Very high | 91.5 | Very high | 26 Ų | 26 | 27.9 Ų | 27.9 | 12% | 0.12 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 110.5 | 170.7 | -73.4 | -174.1 | 0 | 0 | 0 | 108.9 | V5 L6 Q7 Y8 V32 F81 F82 E83 | V5-H30 HydrophobicContact CG1-CB 4.21Å; V5-H30 VanDerWaalsContact CG1-CG 3.48Å; V5-H30 WeakPolarHBondContact CG1-ND1 3.49Å; L6-H30 PolarHBondContact O-N 2.59Å; Q7-H30 CarbonylContact C-O 3.33Å; Q7-H30 VanDerWaalsContact CA-O 3.27Å; Q7-H30 WeakPolarHBondContact CA-O 3.2Å; Q7-H30 HydrophobicContact CG-CB 4.36Å; Y8-H30 PolarHBondContact N-O 3.19Å; H30-V32 HydrophobicContact CB-CG2 4.36Å; H30-V32 PolarHBondContact O-N 3.07Å; H30-F81 HydrophobicContact CB-CB 4.31Å; H30-F81 HydrophobicContact CB-CD2 3.87Å; H30-F81 HydrophobicContact CB-CG 4.17Å; H30-F81 AromaticContact CD2-CD2 3.65Å; H30-F81 AromaticContact CD2-CE2 3.53Å; H30-F81 AromaticContact CE1-CD2 3.98Å; H30-F81 AromaticContact CE1-CE2 3.35Å; H30-F81 WeakPolarHBondContact CE1-CE2 3.41Å; H30-F81 AromaticContact CE1-CZ 3.52Å; H30-F81 AromaticContact CG-CD2 3.51Å; H30-F81 AromaticContact CG-CE2 3.67Å; H30-F81 AromaticContact ND1-CD2 3.75Å; H30-F81 AromaticContact ND1-CE2 3.59Å; H30-F81 AromaticContact ND1-CZ 3.84Å; H30-F81 AromaticContact NE2-CD2 3.94Å; H30-F81 AromaticContact NE2-CE2 3.31Å; H30-F81 VanDerWaalsContact NE2-CE2 3.31Å; H30-F81 WeakPolarHBondContact NE2-CE2 3.44Å; H30-F81 AromaticContact NE2-CZ 3.91Å; H30-F82 CarbonylContact C-O 3.59Å; H30-F82 WeakPolarHBondContact CA-O 3.23Å; H30-E83 IonicContact CD2-OE2 3.9Å; H30-E83 IonicContact CE1-OE2 2.93Å; H30-E83 IonicContact NE2-OE2 3.78Å; H30-E83 PolarHBondContact NE2-OE2 2.97Å |
| 31 | F | 96.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 101.7 | 172.5 | -58.8 | -91.4 | 0 | 0 | 0 | 109.3 | Y8 L10 V29 F44 I46 F81 F82 L84 F95 I123 | Y8-F31 HydrophobicContact CD1-CD1 4.19Å; Y8-F31 HydrophobicContact CD1-CE1 4.49Å; Y8-F31 HydrophobicContact CD2-CD1 4.26Å; Y8-F31 AromaticContact CD2-CE1 3.86Å; Y8-F31 HydrophobicContact CD2-CE1 3.86Å; Y8-F31 AromaticContact CG-CD1 3.77Å; Y8-F31 HydrophobicContact CG-CD1 3.77Å; Y8-F31 AromaticContact CG-CE1 3.85Å; Y8-F31 HydrophobicContact CG-CE1 3.85Å; Y8-F31 CarbonylContact O-C 3.52Å; Y8-F31 VanDerWaalsContact O-CA 3.23Å; Y8-F31 WeakPolarHBondContact O-CA 3.47Å; L10-F31 HydrophobicContact CD1-CB 3.82Å; L10-F31 HydrophobicContact CD2-CB 4.29Å; L10-F31 HydrophobicContact CD2-CD1 3.97Å; L10-F31 HydrophobicContact CG-CB 3.99Å; V29-F31 HydrophobicContact CB-CE2 4.32Å; V29-F31 HydrophobicContact CG1-CD2 4.26Å; V29-F31 HydrophobicContact CG1-CE1 4.21Å; V29-F31 HydrophobicContact CG1-CE2 3.9Å; V29-F31 HydrophobicContact CG1-CZ 3.88Å; F31-F44 HydrophobicContact CB-CE2 4.2Å; F31-F44 HydrophobicContact CB-CZ 4.4Å; F31-F44 AromaticContact CD1-CE2 3.86Å; F31-F44 HydrophobicContact CD1-CE2 3.86Å; F31-F44 AromaticContact CD1-CZ 3.67Å; F31-F44 HydrophobicContact CD1-CZ 3.67Å; F31-F44 HydrophobicContact CD2-CE1 4.04Å; F31-F44 HydrophobicContact CD2-CE2 4.34Å; F31-F44 AromaticContact CD2-CZ 3.7Å; F31-F44 HydrophobicContact CD2-CZ 3.7Å; F31-F44 HydrophobicContact CE1-CE2 4.3Å; F31-F44 AromaticContact CE1-CZ 3.73Å; F31-F44 HydrophobicContact CE1-CZ 3.73Å; F31-F44 HydrophobicContact CE2-CE1 4.04Å; F31-F44 AromaticContact CE2-CZ 3.77Å; F31-F44 HydrophobicContact CE2-CZ 3.77Å; F31-F44 HydrophobicContact CG-CE1 4.4Å; F31-F44 AromaticContact CG-CE2 3.88Å; F31-F44 HydrophobicContact CG-CE2 3.88Å; F31-F44 AromaticContact CG-CZ 3.66Å; F31-F44 HydrophobicContact CG-CZ 3.66Å; F31-F44 HydrophobicContact CZ-CE1 4.4Å; F31-F44 AromaticContact CZ-CZ 3.78Å; F31-F44 HydrophobicContact CZ-CZ 3.78Å; F31-I46 HydrophobicContact CE2-CD1 4.47Å; F31-I46 HydrophobicContact CZ-CD1 4.18Å; F31-F81 CarbonylContact O-C 3.55Å; F31-F81 WeakPolarHBondContact O-CA 3.24Å; F31-F81 WeakPolarHBondContact O-CB 3.26Å; F31-F82 HydrophobicContact CB-CB 4.12Å; F31-F82 HydrophobicContact CB-CD2 4.31Å; F31-F82 HydrophobicContact CD2-CB 4.32Å; F31-F82 PolarHBondContact N-O 2.81Å; F31-F82 PolarHBondContact O-N 2.76Å; F31-L84 HydrophobicContact CE2-CB 4.03Å; F31-F95 HydrophobicContact CD1-CZ 4.46Å; F31-F95 AromaticContact CE1-CD1 3.97Å; F31-F95 HydrophobicContact CE1-CD1 3.97Å; F31-F95 AromaticContact CE1-CE1 3.79Å; F31-F95 HydrophobicContact CE1-CE1 3.79Å; F31-F95 HydrophobicContact CE1-CE2 4.45Å; F31-F95 HydrophobicContact CE1-CG 4.37Å; F31-F95 HydrophobicContact CE1-CZ 4.04Å; F31-F95 HydrophobicContact CZ-CD1 4.38Å; F31-I123 HydrophobicContact CE1-CG2 4.38Å; F31-I123 HydrophobicContact CZ-CG2 4.31Å |
| 32 | V | 93.6 | Very high | 91.5 | Very high | 30 Ų | 30 | 32.9 Ų | 32.9 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 141.8 | -173.6 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | Q7 Y8 L10 H30 F81 | Q7-V32 HydrophobicContact CB-CG2 4.03Å; Q7-V32 HydrophobicContact CG-CG2 3.95Å; Y8-V32 PolarHBondContact O-N 2.99Å; L10-V32 PolarHBondContact N-O 3.14Å; H30-V32 HydrophobicContact CB-CG2 4.36Å; H30-V32 PolarHBondContact O-N 3.07Å; V32-F81 HydrophobicContact CG2-CB 4.21Å |
| 33 | L | 93.9 | Very high | 91.7 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 130 | -178.4 | -53.1 | -178.4 | 0 | 0 | 0 | 111.8 | L10 L37 I38 I42 L65 F82 | L10-L33 HydrophobicContact CD1-CD2 4.27Å; L33-L37 HydrophobicContact CB-CB 4.48Å; L33-L37 HydrophobicContact CD2-CD1 4.46Å; L33-I38 HydrophobicContact CB-CD1 3.76Å; L33-I38 HydrophobicContact CD1-CD1 4.09Å; L33-I42 HydrophobicContact CD1-CD1 3.45Å; L33-I42 VanDerWaalsContact CD1-CD1 3.45Å; L33-I42 HydrophobicContact CD2-CD1 3.34Å; L33-I42 HydrophobicContact CG-CD1 3.93Å; L33-L65 HydrophobicContact CD1-CD1 4.12Å; L33-F82 HydrophobicContact CD2-CD2 4.46Å; L33-F82 HydrophobicContact CD2-CE2 3.87Å |
| 34 | D | 92 | Very high | 92 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 165.6 | 167.2 | -176.9 | 65.7 | 0 | 0 | 0 | 112 | L9 L10 S36 L37 I38 | L9-D34 HydrophobicContact CD1-CB 3.97Å; L9-D34 HydrophobicContact CD2-CB 4.31Å; L9-D34 HydrophobicContact CG-CB 4.08Å; L10-D34 WeakPolarHBondContact O-CB 3.37Å; L10-D34 PolarHBondContact O-N 3.45Å; D34-S36 PolarHBondContact O-N 2.72Å; D34-S36 VanDerWaalsContact O-N 3.09Å; D34-S36 PolarHBondContact OD2-N 2.83Å; D34-L37 PolarHBondContact O-N 2.85Å; D34-I38 PolarHBondContact O-N 3.19Å |
| 35 | V | 90.1 | Very high | 92.4 | Very high | 29 Ų | 29 | 28.4 Ų | 28.4 | 18% | 0.176 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | -36.1 | 175.6 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | L37 A1600 R1601 | V35-L37 PolarHBondContact O-N 3.37Å; V35-A1600 HydrophobicContact CB-CB 4.28Å; V35-A1600 HydrophobicContact CG2-CB 3.76Å; V35-R1601 HydrophobicContact CG2-CB 4.33Å; V35-R1601 HydrophobicContact CG2-CG 3.67Å |
| 36 | S | 91.9 | Very high | 92.9 | Very high | 44 Ų | 44 | 26.6 Ų | 26.6 | 31% | 0.308 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19.1 | -178.7 | 69.7 | 0 | 0 | 0 | 0 | 113.6 | D12 D34 | D12-S36 WeakPolarHBondContact CB-OG 3.47Å; D12-S36 PolarHBondContact N-OG 3.22Å; D34-S36 PolarHBondContact O-N 2.72Å; D34-S36 VanDerWaalsContact O-N 3.09Å; D34-S36 PolarHBondContact OD2-N 2.83Å |
| 37 | L | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -15.9 | -176.1 | -58.9 | -177.9 | 0 | 0 | 0 | 113.1 | L10 D12 L33 D34 V35 G39 C40 I42 F97 K99 | L10-L37 HydrophobicContact CB-CD1 3.68Å; L10-L37 VanDerWaalsContact O-CD1 3.3Å; L10-L37 WeakPolarHBondContact O-CD1 3.23Å; D12-L37 HydrophobicContact CB-CD2 4.1Å; L33-L37 HydrophobicContact CB-CB 4.48Å; L33-L37 HydrophobicContact CD2-CD1 4.46Å; D34-L37 PolarHBondContact O-N 2.85Å; V35-L37 PolarHBondContact O-N 3.37Å; L37-G39 PolarHBondContact O-N 2.96Å; L37-C40 WeakPolarHBondContact O-CB 3.43Å; L37-C40 PolarHBondContact O-N 2.89Å; L37-I42 HydrophobicContact CB-CD1 3.61Å; L37-I42 HydrophobicContact CB-CG1 4.47Å; L37-I42 HydrophobicContact CD1-CD1 4.41Å; L37-F97 HydrophobicContact CD1-CD2 4.18Å; L37-F97 HydrophobicContact CD1-CE2 3.48Å; L37-F97 VanDerWaalsContact CD1-CE2 3.48Å; L37-F97 HydrophobicContact CD1-CZ 3.94Å; L37-F97 HydrophobicContact CD2-CE2 3.88Å; L37-F97 HydrophobicContact CG-CE2 4.34Å; L37-K99 HydrophobicContact CD2-CB 4.47Å |
| 38 | I | 92.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 21.6 Ų | 21.6 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 130.5 | 177 | -63.6 | -63.6 | 0 | 0 | 0 | 110.7 | L33 D34 C40 F78 Q1596 K1597 A1600 | L33-I38 HydrophobicContact CB-CD1 3.76Å; L33-I38 HydrophobicContact CD1-CD1 4.09Å; D34-I38 PolarHBondContact O-N 3.19Å; I38-C40 VanDerWaalsContact C-N 3.29Å; I38-F78 HydrophobicContact CG2-CD1 4.1Å; I38-F78 HydrophobicContact CG2-CE1 4.07Å; I38-Q1596 HydrophobicContact CG2-CB 4.04Å; I38-K1597 VanDerWaalsContact O-CG 3.26Å; I38-K1597 WeakPolarHBondContact O-CG 3.49Å; I38-A1600 HydrophobicContact CB-CB 3.7Å; I38-A1600 HydrophobicContact CG1-CB 3.99Å; I38-A1600 HydrophobicContact CG2-CB 3.77Å |
| 39 | G | 88.6 | Confident | 93.7 | Very high | 15 Ų | 15 | 22 Ų | 22 | 16% | 0.155 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L37 T1593 | L37-G39 PolarHBondContact O-N 2.96Å; G39-T1593 WeakPolarHBondContact O-CG2 3.15Å |
| 40 | C | 91.4 | Very high | 93.4 | Very high | 33 Ų | 33 | 26 Ų | 26 | 22% | 0.223 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -86.3 | 156.3 | 171.4 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | L37 I38 I42 K99 | L37-C40 WeakPolarHBondContact O-CB 3.43Å; L37-C40 PolarHBondContact O-N 2.89Å; I38-C40 VanDerWaalsContact C-N 3.29Å; C40-I42 HydrophobicContact CB-CG1 4.07Å; C40-I42 PolarHBondContact O-N 3.19Å; C40-K99 HydrophobicContact CB-CB 3.94Å; C40-K99 WeakPolarHBondContact CB-O 3.47Å |
| 41 | N | 90.7 | Very high | 92.8 | Very high | 107 Ų | 107 | 29.5 Ų | 29.5 | 57% | 0.572 | 17% | 0.171 | S | C | * | . | B | Isolated β-bridge | trans | -88 | 88.7 | 174 | -174 | 8.4 | 0 | 0 | 0 | 108.9 | K99 G101 | N41-K99 PolarHBondContact N-O 2.87Å; N41-K99 CarbonylContact O-C 3.5Å; N41-G101 WeakPolarHBondContact ND2-CA 3.14Å; N41-G101 WeakPolarHBondContact O-CA 3.41Å; N41-G101 PolarHBondContact O-N 2.92Å |
| 42 | I | 94 | Very high | 92.2 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | trans | -90.1 | 129.9 | -169.4 | -50.1 | 168.2 | 0 | 0 | 0 | 111 | L33 L37 C40 F82 F97 S98 | L33-I42 HydrophobicContact CD1-CD1 3.45Å; L33-I42 VanDerWaalsContact CD1-CD1 3.45Å; L33-I42 HydrophobicContact CD2-CD1 3.34Å; L33-I42 HydrophobicContact CG-CD1 3.93Å; L37-I42 HydrophobicContact CB-CD1 3.61Å; L37-I42 HydrophobicContact CB-CG1 4.47Å; L37-I42 HydrophobicContact CD1-CD1 4.41Å; C40-I42 HydrophobicContact CB-CG1 4.07Å; C40-I42 PolarHBondContact O-N 3.19Å; I42-F82 HydrophobicContact CB-CZ 4.12Å; I42-F82 HydrophobicContact CG2-CE2 3.84Å; I42-F82 HydrophobicContact CG2-CZ 3.7Å; I42-F97 HydrophobicContact CG2-CB 4.18Å; I42-F97 HydrophobicContact CG2-CD2 4.28Å; I42-S98 VanDerWaalsContact CA-O 3.26Å; I42-S98 WeakPolarHBondContact CA-O 3.44Å; I42-S98 WeakPolarHBondContact CG2-O 3.41Å | ||
| 43 | R | 95.5 | Very high | 91.9 | Very high | 69 Ų | 69 | 35 Ų | 35 | 26% | 0.26 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124.1 | 168.2 | -60.1 | -176.4 | 70.3 | -175.8 | -4.7 | 109.5 | F45 E62 F97 S98 G101 S103 | R43-F45 HydrophobicContact CB-CE2 3.65Å; R43-F45 HydrophobicContact CB-CZ 3.77Å; R43-E62 IonicContact CZ-OE1 3.6Å; R43-E62 IonicContact CZ-OE2 3.25Å; R43-E62 IonicContact NE-OE1 2.76Å; R43-E62 PolarHBondContact NE-OE1 3.18Å; R43-E62 IonicContact NE-OE2 3.84Å; R43-E62 IonicContact NH2-OE1 2.73Å; R43-E62 PolarHBondContact NH2-OE1 2.92Å; R43-E62 IonicContact NH2-OE2 3.52Å; R43-E62 PolarHBondContact NH2-OE2 3.1Å; R43-F97 CarbonylContact O-C 3.46Å; R43-F97 WeakPolarHBondContact O-CA 3.35Å; R43-F97 VanDerWaalsContact O-CB 3.27Å; R43-F97 WeakPolarHBondContact O-CB 3.47Å; R43-S98 PolarHBondContact N-O 2.87Å; R43-S98 PolarHBondContact O-N 2.96Å; R43-G101 WeakPolarHBondContact CD-O 3.4Å; R43-G101 PolarHBondContact NH1-O 2.63Å; R43-S103 PolarHBondContact NH1-OG 3.16Å; R43-S103 PolarHBondContact NH2-OG 3.33Å |
| 44 | F | 97 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.2 | -172.9 | -177.7 | -84.6 | 0 | 0 | 0 | 110.8 | L10 F31 I46 E62 L63 F82 F95 F97 | L10-F44 HydrophobicContact CD1-CD2 3.68Å; L10-F44 HydrophobicContact CD1-CE2 3.79Å; L10-F44 HydrophobicContact CD2-CE2 4.08Å; F31-F44 HydrophobicContact CB-CE2 4.2Å; F31-F44 HydrophobicContact CB-CZ 4.4Å; F31-F44 AromaticContact CD1-CE2 3.86Å; F31-F44 HydrophobicContact CD1-CE2 3.86Å; F31-F44 AromaticContact CD1-CZ 3.67Å; F31-F44 HydrophobicContact CD1-CZ 3.67Å; F31-F44 HydrophobicContact CD2-CE1 4.04Å; F31-F44 HydrophobicContact CD2-CE2 4.34Å; F31-F44 AromaticContact CD2-CZ 3.7Å; F31-F44 HydrophobicContact CD2-CZ 3.7Å; F31-F44 HydrophobicContact CE1-CE2 4.3Å; F31-F44 AromaticContact CE1-CZ 3.73Å; F31-F44 HydrophobicContact CE1-CZ 3.73Å; F31-F44 HydrophobicContact CE2-CE1 4.04Å; F31-F44 AromaticContact CE2-CZ 3.77Å; F31-F44 HydrophobicContact CE2-CZ 3.77Å; F31-F44 HydrophobicContact CG-CE1 4.4Å; F31-F44 AromaticContact CG-CE2 3.88Å; F31-F44 HydrophobicContact CG-CE2 3.88Å; F31-F44 AromaticContact CG-CZ 3.66Å; F31-F44 HydrophobicContact CG-CZ 3.66Å; F31-F44 HydrophobicContact CZ-CE1 4.4Å; F31-F44 AromaticContact CZ-CZ 3.78Å; F31-F44 HydrophobicContact CZ-CZ 3.78Å; F44-I46 HydrophobicContact CE1-CB 3.92Å; F44-I46 HydrophobicContact CE1-CD1 4.47Å; F44-I46 HydrophobicContact CE1-CG2 4.32Å; F44-E62 CarbonylContact O-C 3.5Å; F44-E62 VanDerWaalsContact O-CA 3.27Å; F44-E62 WeakPolarHBondContact O-CA 3.35Å; F44-L63 HydrophobicContact CD1-CB 4.02Å; F44-L63 HydrophobicContact CD1-CD1 3.92Å; F44-L63 HydrophobicContact CD1-CG 4.06Å; F44-L63 HydrophobicContact CE1-CD1 3.78Å; F44-L63 HydrophobicContact CE1-CG 4.34Å; F44-L63 PolarHBondContact O-N 2.75Å; F44-F82 HydrophobicContact CB-CD1 3.6Å; F44-F82 HydrophobicContact CB-CD2 3.72Å; F44-F82 HydrophobicContact CB-CE1 3.53Å; F44-F82 HydrophobicContact CB-CE2 3.65Å; F44-F82 HydrophobicContact CB-CG 3.7Å; F44-F82 HydrophobicContact CB-CZ 3.55Å; F44-F82 HydrophobicContact CD1-CB 4.31Å; F44-F82 HydrophobicContact CD1-CG 4.31Å; F44-F82 AromaticContact CD2-CD2 3.96Å; F44-F82 HydrophobicContact CD2-CD2 3.96Å; F44-F82 HydrophobicContact CD2-CE2 4.28Å; F44-F82 HydrophobicContact CD2-CG 4.39Å; F44-F82 HydrophobicContact CG-CB 4.32Å; F44-F82 HydrophobicContact CG-CD1 4.25Å; F44-F82 AromaticContact CG-CD2 3.89Å; F44-F82 HydrophobicContact CG-CD2 3.89Å; F44-F82 HydrophobicContact CG-CE2 4.23Å; F44-F82 AromaticContact CG-CG 3.89Å; F44-F82 HydrophobicContact CG-CG 3.89Å; F44-F95 HydrophobicContact CD2-CD2 4.5Å; F44-F95 HydrophobicContact CE1-CB 4.06Å; F44-F95 HydrophobicContact CE2-CB 4.11Å; F44-F95 AromaticContact CE2-CD2 3.43Å; F44-F95 HydrophobicContact CE2-CD2 3.43Å; F44-F95 VanDerWaalsContact CE2-CD2 3.43Å; F44-F95 HydrophobicContact CE2-CE2 4.08Å; F44-F95 AromaticContact CE2-CG 3.93Å; F44-F95 HydrophobicContact CE2-CG 3.93Å; F44-F95 HydrophobicContact CZ-CB 3.53Å; F44-F95 HydrophobicContact CZ-CD1 4.39Å; F44-F95 AromaticContact CZ-CD2 3.63Å; F44-F95 HydrophobicContact CZ-CD2 3.63Å; F44-F95 HydrophobicContact CZ-CE2 4.45Å; F44-F95 AromaticContact CZ-CG 3.6Å; F44-F95 HydrophobicContact CZ-CG 3.6Å; F44-F97 HydrophobicContact CB-CB 4.41Å; F44-F97 HydrophobicContact CD2-CB 4.1Å; F44-F97 HydrophobicContact CD2-CD1 4.28Å |
| 45 | F | 96.4 | Very high | 91.6 | Very high | 14 Ų | 14 | 39 Ų | 39 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.5 | -175.8 | -56.9 | -84.1 | 0 | 0 | 0 | 110.1 | R43 Y60 R61 E62 F95 Y96 | R43-F45 HydrophobicContact CB-CE2 3.65Å; R43-F45 HydrophobicContact CB-CZ 3.77Å; F45-Y60 HydrophobicContact CB-CD1 4.29Å; F45-R61 WeakPolarHBondContact CA-O 3.22Å; F45-E62 HydrophobicContact CD1-CB 3.96Å; F45-E62 HydrophobicContact CD1-CG 4.38Å; F45-E62 HydrophobicContact CE1-CB 3.84Å; F45-E62 HydrophobicContact CE1-CG 4.04Å; F45-F95 CarbonylContact O-C 3.53Å; F45-F95 WeakPolarHBondContact O-CA 3.3Å; F45-F95 VanDerWaalsContact O-CB 3.3Å; F45-F95 WeakPolarHBondContact O-CB 3.3Å; F45-Y96 HydrophobicContact CB-CD1 4.03Å; F45-Y96 HydrophobicContact CB-CD2 4.35Å; F45-Y96 HydrophobicContact CB-CE1 3.6Å; F45-Y96 HydrophobicContact CB-CE2 3.94Å; F45-Y96 HydrophobicContact CB-CG 4.39Å; F45-Y96 AromaticContact CD2-CD2 3.96Å; F45-Y96 HydrophobicContact CD2-CD2 3.96Å; F45-Y96 AromaticContact CD2-CE2 3.4Å; F45-Y96 HydrophobicContact CD2-CE2 3.4Å; F45-Y96 AromaticContact CD2-CZ 3.79Å; F45-Y96 HydrophobicContact CE2-CE2 4.16Å; F45-Y96 HydrophobicContact CG-CE1 4.3Å; F45-Y96 AromaticContact CG-CE2 3.87Å; F45-Y96 HydrophobicContact CG-CE2 3.87Å; F45-Y96 AromaticContact CG-CZ 3.74Å; F45-Y96 PolarHBondContact N-O 3.2Å; F45-Y96 PolarHBondContact O-N 3.48Å; F45-Y96 VanDerWaalsContact O-O 3.14Å |
| 46 | I | 96 | Very high | 91.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 144 | 178.4 | -168.9 | 166.6 | 0 | 0 | 0 | 110.6 | F31 F44 Y48 Y60 R61 L63 L84 F95 I123 | F31-I46 HydrophobicContact CE2-CD1 4.47Å; F31-I46 HydrophobicContact CZ-CD1 4.18Å; F44-I46 HydrophobicContact CE1-CB 3.92Å; F44-I46 HydrophobicContact CE1-CD1 4.47Å; F44-I46 HydrophobicContact CE1-CG2 4.32Å; I46-Y48 VanDerWaalsContact C-N 3.32Å; I46-Y60 WeakPolarHBondContact O-CA 3.24Å; I46-R61 HydrophobicContact CG2-CG 4.23Å; I46-R61 PolarHBondContact N-O 3.16Å; I46-R61 PolarHBondContact O-N 3.18Å; I46-L63 HydrophobicContact CG2-CD1 3.97Å; I46-L63 HydrophobicContact CG2-CD2 4.26Å; I46-L63 HydrophobicContact CG2-CG 3.91Å; I46-L84 HydrophobicContact CD1-CD2 4.06Å; I46-F95 HydrophobicContact CB-CB 3.98Å; I46-F95 HydrophobicContact CD1-CB 4.27Å; I46-F95 HydrophobicContact CG1-CB 3.92Å; I46-I123 HydrophobicContact CD1-CD1 3.95Å |
| 47 | N | 94.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | trans | -90.4 | 9.6 | 177.4 | 72.7 | -1.1 | 0 | 0 | 0 | 114.1 | F55 R57 Q59 Y60 F93 H94 | N47-F55 HydrophobicContact CB-CE2 4.34Å; N47-F55 WeakPolarHBondContact O-CD2 3.5Å; N47-F55 VanDerWaalsContact O-CE2 3.31Å; N47-F55 WeakPolarHBondContact O-CE2 3.4Å; N47-R57 PolarHBondContact ND2-O 3.05Å; N47-Q59 VanDerWaalsContact CA-O 3.31Å; N47-Q59 WeakPolarHBondContact CA-O 3.46Å; N47-Q59 WeakPolarHBondContact CB-O 3.45Å; N47-Y60 HydrophobicContact CB-CD1 3.91Å; N47-Y60 HydrophobicContact CB-CD2 4.32Å; N47-Y60 HydrophobicContact CB-CE1 3.79Å; N47-Y60 HydrophobicContact CB-CE2 4.2Å; N47-Y60 HydrophobicContact CB-CG 4.17Å; N47-F93 WeakPolarHBondContact OD1-CA 3.44Å; N47-F93 WeakPolarHBondContact OD1-CB 3.39Å; N47-H94 PolarHBondContact N-O 3.29Å; N47-H94 PolarHBondContact OD1-N 3.17Å; N47-H94 PolarHBondContact OD1-O 3.42Å | ||
| 48 | Y | 94.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 126.3 | 173 | -174.1 | -79.4 | 0 | 0 | 0 | 109.5 | I46 R61 L84 I87 S88 V89 F93 V125 | I46-Y48 VanDerWaalsContact C-N 3.32Å; Y48-R61 PolarHBondContact O-NE 3.49Å; Y48-L84 HydrophobicContact CD1-CD1 3.75Å; Y48-L84 HydrophobicContact CD2-CD2 4.4Å; Y48-L84 HydrophobicContact CE1-CD1 4.39Å; Y48-L84 HydrophobicContact CG-CD1 3.96Å; Y48-L84 HydrophobicContact CG-CD2 4.3Å; Y48-I87 HydrophobicContact CE2-CG2 4.07Å; Y48-I87 WeakPolarHBondContact OH-CA 3.24Å; Y48-S88 PolarHBondContact OH-N 2.95Å; Y48-V89 PolarHBondContact OH-N 2.65Å; Y48-V89 VanDerWaalsContact OH-N 3.17Å; Y48-F93 HydrophobicContact CD2-CB 4.41Å; Y48-F93 AromaticContact CD2-CD1 3.72Å; Y48-F93 HydrophobicContact CD2-CD1 3.72Å; Y48-F93 AromaticContact CD2-CD2 3.59Å; Y48-F93 HydrophobicContact CD2-CD2 3.59Å; Y48-F93 AromaticContact CD2-CE1 3.77Å; Y48-F93 HydrophobicContact CD2-CE1 3.77Å; Y48-F93 AromaticContact CD2-CE2 3.64Å; Y48-F93 HydrophobicContact CD2-CE2 3.64Å; Y48-F93 AromaticContact CD2-CG 3.62Å; Y48-F93 HydrophobicContact CD2-CG 3.62Å; Y48-F93 AromaticContact CD2-CZ 3.72Å; Y48-F93 HydrophobicContact CD2-CZ 3.72Å; Y48-F93 HydrophobicContact CE2-CD2 4.12Å; Y48-F93 HydrophobicContact CE2-CE1 4.18Å; Y48-F93 AromaticContact CE2-CE2 3.71Å; Y48-F93 HydrophobicContact CE2-CE2 3.71Å; Y48-F93 AromaticContact CE2-CZ 3.74Å; Y48-F93 HydrophobicContact CE2-CZ 3.74Å; Y48-F93 HydrophobicContact CG-CD1 4.23Å; Y48-F93 HydrophobicContact CG-CE1 4.44Å; Y48-F93 HydrophobicContact CG-CG 4.34Å; Y48-V125 HydrophobicContact CE2-CG2 4.42Å |
| 49 | P | 92.2 | Very high | 91.2 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 8% | 0.078 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 152.3 | -172.1 | 30.2 | -34.7 | 0 | 0 | 0 | 112.8 | V53 F55 V89 | P49-V53 HydrophobicContact CB-CB 4.5Å; P49-V53 WeakPolarHBondContact CB-O 3.45Å; P49-F55 HydrophobicContact CG-CB 4.22Å; P49-V89 HydrophobicContact CG-CB 4.48Å; P49-V89 HydrophobicContact CG-CG2 4.09Å |
| 50 | D | 88.2 | Confident | 91.5 | Very high | 86 Ų | 86 | 55.2 Ų | 55.2 | 46% | 0.46 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 155.8 | 168.2 | -81.6 | -53.9 | 0 | 0 | 0 | 111.7 | G52 V53 R61 | D50-G52 PolarHBondContact O-N 3.3Å; D50-G52 VanDerWaalsContact O-N 3.07Å; D50-V53 HydrophobicContact CB-CB 4.28Å; D50-V53 HydrophobicContact CB-CG2 3.79Å; D50-V53 WeakPolarHBondContact O-CB 3.3Å; D50-V53 PolarHBondContact O-N 2.79Å; D50-R61 IonicContact OD1-CZ 3.49Å; D50-R61 IonicContact OD1-NH1 2.76Å; D50-R61 PolarHBondContact OD1-NH1 2.68Å |
| 51 | S | 83.7 | Confident | 91.5 | Very high | 98 Ų | 98 | 56.6 Ų | 56.6 | 69% | 0.685 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 117.2 | 178.4 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 52 | G | 83.2 | Confident | 91.8 | Very high | 83 Ų | 83 | 55.6 Ų | 55.6 | 86% | 0.856 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -3.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D50 | D50-G52 PolarHBondContact O-N 3.3Å; D50-G52 VanDerWaalsContact O-N 3.07Å |
| 53 | V | 88.4 | Confident | 91.9 | Very high | 63 Ų | 63 | 55.4 Ų | 55.4 | 38% | 0.382 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 133.6 | 174.9 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | P49 D50 | P49-V53 HydrophobicContact CB-CB 4.5Å; P49-V53 WeakPolarHBondContact CB-O 3.45Å; D50-V53 HydrophobicContact CB-CB 4.28Å; D50-V53 HydrophobicContact CB-CG2 3.79Å; D50-V53 WeakPolarHBondContact O-CB 3.3Å; D50-V53 PolarHBondContact O-N 2.79Å |
| 54 | P | 87.8 | Confident | 91.8 | Very high | 90 Ų | 90 | 56.4 Ų | 56.4 | 58% | 0.584 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 144.7 | 174.5 | 27.6 | -34.1 | 0 | 0 | 0 | 111 | Q56 | P54-Q56 PolarHBondContact O-N 3.07Š|
| 55 | F | 91.7 | Very high | 91.6 | Very high | 45 Ų | 45 | 60.1 Ų | 60.1 | 20% | 0.197 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -65 | 132.8 | 177.8 | 173.5 | -113.6 | 0 | 0 | 0 | 111.7 | N47 P49 R57 F93 | N47-F55 HydrophobicContact CB-CE2 4.34Å; N47-F55 WeakPolarHBondContact O-CD2 3.5Å; N47-F55 VanDerWaalsContact O-CE2 3.31Å; N47-F55 WeakPolarHBondContact O-CE2 3.4Å; P49-F55 HydrophobicContact CG-CB 4.22Å; F55-R57 HydrophobicContact CE1-CB 4.05Å; F55-R57 HydrophobicContact CZ-CB 3.92Å; F55-R57 HydrophobicContact CZ-CG 4.39Å; F55-F93 HydrophobicContact CD2-CD1 4.02Å; F55-F93 AromaticContact CD2-CE1 3.8Å; F55-F93 HydrophobicContact CD2-CE1 3.8Å; F55-F93 AromaticContact CE2-CD1 3.76Å; F55-F93 HydrophobicContact CE2-CD1 3.76Å; F55-F93 AromaticContact CE2-CE1 3.97Å; F55-F93 HydrophobicContact CE2-CE1 3.97Å; F55-F93 HydrophobicContact CG-CE1 4.4Å |
| 56 | Q | 90.6 | Very high | 91.4 | Very high | 113 Ų | 113 | 62.2 Ų | 62.2 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | trans | -131.2 | 113.3 | 169.6 | -63.2 | -174.7 | 16.2 | 0 | 0 | 108.7 | P54 L58 Q59 | P54-Q56 PolarHBondContact O-N 3.07Å; Q56-L58 VanDerWaalsContact C-N 3.25Å; Q56-L58 PolarHBondContact O-N 3.19Å; Q56-L58 VanDerWaalsContact O-N 3.1Å; Q56-Q59 HydrophobicContact CB-CB 3.78Å; Q56-Q59 WeakPolarHBondContact O-CB 3.44Å; Q56-Q59 PolarHBondContact O-N 2.91Å | ||
| 57 | R | 88.9 | Confident | 91.1 | Very high | 35 Ų | 35 | 64.7 Ų | 64.7 | 13% | 0.132 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -35.8 | -170.7 | -178.3 | 171.6 | -64.8 | -86.7 | -1.2 | 115.4 | N47 F55 D576 K605 | N47-R57 PolarHBondContact ND2-O 3.05Å; F55-R57 HydrophobicContact CE1-CB 4.05Å; F55-R57 HydrophobicContact CZ-CB 3.92Å; F55-R57 HydrophobicContact CZ-CG 4.39Å; R57-D576 IonicContact CZ-OD1 3.76Å; R57-D576 IonicContact CZ-OD2 3.75Å; R57-D576 IonicContact NE-OD1 3.18Å; R57-D576 PolarHBondContact NE-OD1 3.18Å; R57-D576 IonicContact NE-OD2 2.77Å; R57-D576 PolarHBondContact NE-OD2 3.31Å; R57-D576 IonicContact NH2-OD1 3.41Å; R57-D576 PolarHBondContact NH2-OD1 2.85Å; R57-D576 IonicContact NH2-OD2 3.55Å; R57-K605 PolarHBondContact NH1-O 2.86Å |
| 58 | L | 89.7 | Confident | 90.6 | Very high | 141 Ų | 141 | 67.8 Ų | 67.8 | 74% | 0.738 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.2 | -178.7 | -61 | -179.9 | 0 | 0 | 0 | 113.5 | Q56 Y60 | Q56-L58 VanDerWaalsContact C-N 3.25Å; Q56-L58 PolarHBondContact O-N 3.19Å; Q56-L58 VanDerWaalsContact O-N 3.1Å; L58-Y60 WeakPolarHBondContact O-CD2 3.29Å |
| 59 | Q | 91.9 | Very high | 90 | Very high | 103 Ų | 103 | 68.1 Ų | 68.1 | 48% | 0.481 | 39% | 0.385 | S | S | . | . | trans | -93.4 | 113.8 | 178.8 | -170 | 177.1 | 7.3 | 0 | 0 | 109.4 | N47 Q56 | N47-Q59 VanDerWaalsContact CA-O 3.31Å; N47-Q59 WeakPolarHBondContact CA-O 3.46Å; N47-Q59 WeakPolarHBondContact CB-O 3.45Å; Q56-Q59 HydrophobicContact CB-CB 3.78Å; Q56-Q59 WeakPolarHBondContact O-CB 3.44Å; Q56-Q59 PolarHBondContact O-N 2.91Å | ||
| 60 | Y | 93.4 | Very high | 89.3 | Confident | 44 Ų | 44 | 74 Ų | 74 | 17% | 0.173 | 42% | 0.415 | C | S | . | . | trans | -108.8 | 144.9 | 177.3 | -67.7 | -105.2 | 0 | 0 | 0 | 109.9 | F45 I46 N47 L58 H94 Y96 P106 | F45-Y60 HydrophobicContact CB-CD1 4.29Å; I46-Y60 WeakPolarHBondContact O-CA 3.24Å; N47-Y60 HydrophobicContact CB-CD1 3.91Å; N47-Y60 HydrophobicContact CB-CD2 4.32Å; N47-Y60 HydrophobicContact CB-CE1 3.79Å; N47-Y60 HydrophobicContact CB-CE2 4.2Å; N47-Y60 HydrophobicContact CB-CG 4.17Å; L58-Y60 WeakPolarHBondContact O-CD2 3.29Å; Y60-H94 HydrophobicContact CE1-CB 4.46Å; Y60-H94 AromaticContact CE1-ND1 3.57Å; Y60-H94 WeakPolarHBondContact CE1-O 3.39Å; Y60-H94 AromaticContact CZ-ND1 3.6Å; Y60-H94 PolarHBondContact OH-ND1 3.44Å; Y60-Y96 AromaticContact CD1-CD1 3.79Å; Y60-Y96 HydrophobicContact CD1-CD1 3.79Å; Y60-Y96 AromaticContact CD1-CE1 3.45Å; Y60-Y96 HydrophobicContact CD1-CE1 3.45Å; Y60-Y96 VanDerWaalsContact CD1-CE1 3.45Å; Y60-Y96 HydrophobicContact CD2-CE1 4.22Å; Y60-Y96 AromaticContact CE1-CD1 3.68Å; Y60-Y96 HydrophobicContact CE1-CD1 3.68Å; Y60-Y96 AromaticContact CE1-CE1 3.7Å; Y60-Y96 HydrophobicContact CE1-CE1 3.7Å; Y60-Y96 HydrophobicContact CE2-CE1 4.44Å; Y60-Y96 AromaticContact CG-CE1 3.74Å; Y60-Y96 HydrophobicContact CG-CE1 3.74Å; Y60-P106 HydrophobicContact CD2-CB 3.89Å; Y60-P106 HydrophobicContact CD2-CG 3.44Å; Y60-P106 VanDerWaalsContact CD2-CG 3.44Å; Y60-P106 HydrophobicContact CE2-CB 3.55Å; Y60-P106 HydrophobicContact CE2-CG 3.66Å; Y60-P106 HydrophobicContact CG-CG 4.27Å | ||
| 61 | R | 93.1 | Very high | 88.7 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 24% | 0.238 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 149.1 | 167.8 | 63.1 | 178.3 | 173.9 | 145.4 | 10.9 | 109.7 | F45 I46 Y48 D50 L84 | F45-R61 WeakPolarHBondContact CA-O 3.22Å; I46-R61 HydrophobicContact CG2-CG 4.23Å; I46-R61 PolarHBondContact N-O 3.16Å; I46-R61 PolarHBondContact O-N 3.18Å; Y48-R61 PolarHBondContact O-NE 3.49Å; D50-R61 IonicContact OD1-CZ 3.49Å; D50-R61 IonicContact OD1-NH1 2.76Å; D50-R61 PolarHBondContact OD1-NH1 2.68Å; R61-L84 VanDerWaalsContact NH2-CD1 3.28Å |
| 62 | E | 95.6 | Very high | 88.2 | Confident | 85 Ų | 85 | 69.6 Ų | 69.6 | 40% | 0.397 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 132.8 | 174.1 | -173 | 169.9 | -171.4 | 0 | 0 | 110 | R43 F44 F45 | R43-E62 IonicContact CZ-OE1 3.6Å; R43-E62 IonicContact CZ-OE2 3.25Å; R43-E62 IonicContact NE-OE1 2.76Å; R43-E62 PolarHBondContact NE-OE1 3.18Å; R43-E62 IonicContact NE-OE2 3.84Å; R43-E62 IonicContact NH2-OE1 2.73Å; R43-E62 PolarHBondContact NH2-OE1 2.92Å; R43-E62 IonicContact NH2-OE2 3.52Å; R43-E62 PolarHBondContact NH2-OE2 3.1Å; F44-E62 CarbonylContact O-C 3.5Å; F44-E62 VanDerWaalsContact O-CA 3.27Å; F44-E62 WeakPolarHBondContact O-CA 3.35Å; F45-E62 HydrophobicContact CD1-CB 3.96Å; F45-E62 HydrophobicContact CD1-CG 4.38Å; F45-E62 HydrophobicContact CE1-CB 3.84Å; F45-E62 HydrophobicContact CE1-CG 4.04Å |
| 63 | L | 95.9 | Very high | 88.1 | Confident | 10 Ų | 10 | 68 Ų | 68 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 136.7 | 168.7 | -61.3 | -174.5 | 0 | 0 | 0 | 109.5 | F44 I46 F82 L84 | F44-L63 HydrophobicContact CD1-CB 4.02Å; F44-L63 HydrophobicContact CD1-CD1 3.92Å; F44-L63 HydrophobicContact CD1-CG 4.06Å; F44-L63 HydrophobicContact CE1-CD1 3.78Å; F44-L63 HydrophobicContact CE1-CG 4.34Å; F44-L63 PolarHBondContact O-N 2.75Å; I46-L63 HydrophobicContact CG2-CD1 3.97Å; I46-L63 HydrophobicContact CG2-CD2 4.26Å; I46-L63 HydrophobicContact CG2-CG 3.91Å; L63-F82 HydrophobicContact CB-CB 4.18Å; L63-F82 HydrophobicContact CB-CD1 4.22Å; L63-F82 HydrophobicContact CD1-CB 4.45Å; L63-F82 VanDerWaalsContact O-CD1 3.24Å; L63-F82 WeakPolarHBondContact O-CD1 3.33Å; L63-F82 WeakPolarHBondContact O-CE1 3.43Å; L63-L84 HydrophobicContact CD1-CB 4.44Å |
| 64 | P | 94.4 | Very high | 87.9 | Confident | 90 Ų | 90 | 73.4 Ų | 73.4 | 58% | 0.584 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 144.4 | 176 | 30.7 | -34.4 | 0 | 0 | 0 | 111 | N66 F82 | P64-N66 PolarHBondContact O-N 3.17Å; P64-F82 WeakPolarHBondContact O-CD1 3.3Å |
| 65 | L | 92.8 | Very high | 87.9 | Confident | 77 Ų | 77 | 69.3 Ų | 69.3 | 40% | 0.403 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 119.5 | 171.6 | -174.3 | 66.8 | 0 | 0 | 0 | 109.5 | L33 F82 | L33-L65 HydrophobicContact CD1-CD1 4.12Å; L65-F82 HydrophobicContact CB-CD1 4.26Å; L65-F82 HydrophobicContact CB-CE1 3.7Å; L65-F82 HydrophobicContact CB-CZ 4.14Å; L65-F82 HydrophobicContact CD1-CD1 4.29Å; L65-F82 HydrophobicContact CD1-CD2 4.24Å; L65-F82 HydrophobicContact CD1-CE1 3.94Å; L65-F82 HydrophobicContact CD1-CE2 3.88Å; L65-F82 HydrophobicContact CD1-CG 4.44Å; L65-F82 HydrophobicContact CD1-CZ 3.71Å; L65-F82 HydrophobicContact CG-CE1 4.42Å; L65-F82 HydrophobicContact CG-CZ 4.46Å |
| 66 | N | 92.5 | Very high | 87.8 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 32% | 0.316 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 131.7 | 175.7 | -59.4 | -63.6 | 0 | 0 | 0 | 109.5 | P64 S80 F81 | P64-N66 PolarHBondContact O-N 3.17Å; N66-S80 CarbonylContact O-C 3.46Å; N66-S80 WeakPolarHBondContact O-CA 3.29Å; N66-S80 WeakPolarHBondContact O-CB 3.31Å; N66-F81 HydrophobicContact CB-CD2 4.46Å; N66-F81 HydrophobicContact CB-CE2 4.11Å; N66-F81 HydrophobicContact CB-CZ 4.14Å; N66-F81 WeakPolarHBondContact CB-O 3.4Å; N66-F81 PolarHBondContact N-O 3.36Å; N66-F81 PolarHBondContact O-N 2.84Å |
| 67 | N | 89.1 | Confident | 87.8 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | trans | -107.6 | 112.7 | 169.2 | -174.5 | -20.2 | 0 | 0 | 0 | 108.6 | T69 K73 D76 | N67-T69 VanDerWaalsContact CG-OG1 3.32Å; N67-T69 PolarHBondContact ND2-OG1 3.46Å; N67-T69 PolarHBondContact O-N 3.35Å; N67-T69 WeakPolarHBondContact OD1-CB 3.47Å; N67-T69 VanDerWaalsContact OD1-CG2 3.23Å; N67-T69 WeakPolarHBondContact OD1-CG2 3.22Å; N67-T69 PolarHBondContact OD1-N 2.72Å; N67-T69 PolarHBondContact OD1-OG1 2.92Å; N67-K73 PolarHBondContact ND2-O 3.06Å; N67-D76 PolarHBondContact ND2-O 3.06Å | ||
| 68 | P | 84.4 | Confident | 88 | Confident | 68 Ų | 68 | 62 Ų | 62 | 44% | 0.442 | 33% | 0.333 | S | S | . | . | trans | -78.2 | -2.7 | -176.6 | 32.8 | -36.3 | 0 | 0 | 0 | 113.9 | D79 F81 | P68-D79 WeakPolarHBondContact CD-O 3.39Å; P68-D79 HydrophobicContact CG-CB 3.6Å; P68-D79 VanDerWaalsContact CG-O 3.3Å; P68-D79 WeakPolarHBondContact CG-O 3.39Å; P68-F81 HydrophobicContact CB-CE1 4.11Å; P68-F81 HydrophobicContact CG-CD1 4.45Å; P68-F81 HydrophobicContact CG-CE1 3.97Å | ||
| 69 | T | 83.2 | Confident | 88 | Confident | 14 Ų | 14 | 57 Ų | 57 | 9% | 0.086 | 31% | 0.307 | C | S | . | . | trans | -67.4 | 140.5 | -179 | 62.1 | 0 | 0 | 0 | 0 | 111.9 | N67 T71 G72 D76 | N67-T69 VanDerWaalsContact CG-OG1 3.32Å; N67-T69 PolarHBondContact ND2-OG1 3.46Å; N67-T69 PolarHBondContact O-N 3.35Å; N67-T69 WeakPolarHBondContact OD1-CB 3.47Å; N67-T69 VanDerWaalsContact OD1-CG2 3.23Å; N67-T69 WeakPolarHBondContact OD1-CG2 3.22Å; N67-T69 PolarHBondContact OD1-N 2.72Å; N67-T69 PolarHBondContact OD1-OG1 2.92Å; T69-T71 PolarHBondContact O-N 3.21Å; T69-T71 PolarHBondContact OG1-OG1 3.24Å; T69-G72 PolarHBondContact O-N 3.18Å; T69-D76 HydrophobicContact CG2-CB 4.5Å | ||
| 70 | L | 77.4 | Confident | 88 | Confident | 135 Ų | 135 | 52.2 Ų | 52.2 | 71% | 0.707 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -14.3 | 178.4 | -64 | 172.6 | 0 | 0 | 0 | 112.3 | G72 F1084 S1127 | L70-G72 PolarHBondContact O-N 3.36Å; L70-F1084 HydrophobicContact CD1-CE1 4.17Å; L70-S1127 PolarHBondContact N-O 3.38Å |
| 71 | T | 75.5 | Confident | 88.1 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 17% | 0.172 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -28.5 | 174.4 | 61.4 | 0 | 0 | 0 | 0 | 112.1 | T69 K73 S1127 I1647 F1648 | T69-T71 PolarHBondContact O-N 3.21Å; T69-T71 PolarHBondContact OG1-OG1 3.24Å; T71-K73 PolarHBondContact O-N 3.26Å; T71-K73 PolarHBondContact OG1-N 2.86Å; T71-S1127 WeakPolarHBondContact CG2-O 3.4Å; T71-S1127 WeakPolarHBondContact CG2-OG 3.36Å; T71-S1127 PolarHBondContact N-O 3.18Å; T71-I1647 HydrophobicContact CG2-CG2 4.48Å; T71-F1648 HydrophobicContact CG2-CE1 4.44Å; T71-F1648 HydrophobicContact CG2-CZ 3.78Å |
| 72 | G | 72.9 | Confident | 88.2 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 66% | 0.66 | 27% | 0.272 | S | S | * | . | trans | 62.6 | 15.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T69 L70 | T69-G72 PolarHBondContact O-N 3.18Å; L70-G72 PolarHBondContact O-N 3.36Å | ||
| 73 | K | 81.8 | Confident | 88.2 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 21% | 0.213 | 27% | 0.265 | C | S | . | . | trans | -90.4 | 121.1 | -175.9 | -67 | -70.3 | -179.5 | 176 | 0 | 110.2 | N67 T71 S75 D76 I1647 N1651 | N67-K73 PolarHBondContact ND2-O 3.06Å; T71-K73 PolarHBondContact O-N 3.26Å; T71-K73 PolarHBondContact OG1-N 2.86Å; K73-S75 PolarHBondContact O-N 3.2Å; K73-D76 PolarHBondContact O-N 3.03Å; K73-I1647 HydrophobicContact CB-CG2 4.28Å; K73-I1647 HydrophobicContact CG-CG2 4.27Å; K73-N1651 PolarHBondContact NZ-ND2 2.87Å | ||
| 74 | Q | 83.4 | Confident | 88.2 | Confident | 177 Ų | 177 | 46.7 Ų | 46.7 | 83% | 0.827 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -23.9 | 178.1 | -70.1 | -177.1 | -18.1 | 0 | 0 | 113.5 | D76 Q1596 | Q74-D76 PolarHBondContact O-N 3.39Å; Q74-Q1596 PolarHBondContact O-NE2 2.98Å |
| 75 | S | 86.8 | Confident | 88 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -25.4 | 174.9 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | K73 C77 Q1596 L1646 | K73-S75 PolarHBondContact O-N 3.2Å; S75-C77 PolarHBondContact O-N 2.86Å; S75-Q1596 PolarHBondContact O-NE2 3.43Å; S75-L1646 PolarHBondContact OG-O 3.48Å |
| 76 | D | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -94.9 | 67.4 | 176.7 | -165 | 8.9 | 0 | 0 | 0 | 110.7 | N67 T69 K73 Q74 F78 S1128 S1129 I1647 | N67-D76 PolarHBondContact ND2-O 3.06Å; T69-D76 HydrophobicContact CG2-CB 4.5Å; K73-D76 PolarHBondContact O-N 3.03Å; Q74-D76 PolarHBondContact O-N 3.39Å; D76-F78 WeakPolarHBondContact OD1-CD2 3.18Å; D76-S1128 WeakPolarHBondContact OD2-CA 3.43Å; D76-S1128 WeakPolarHBondContact OD2-CB 3.48Å; D76-S1128 PolarHBondContact OD2-OG 2.8Å; D76-S1128 VanDerWaalsContact OD2-OG 3.07Å; D76-S1129 WeakPolarHBondContact OD1-CB 3.25Å; D76-S1129 PolarHBondContact OD1-OG 2.9Å; D76-S1129 PolarHBondContact OD2-N 3.43Å; D76-I1647 HydrophobicContact CB-CD1 3.98Å; D76-I1647 HydrophobicContact CB-CG1 4.03Å; D76-I1647 HydrophobicContact CB-CG2 4.46Å | ||
| 77 | C | 90.5 | Very high | 87.4 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 11% | 0.108 | 25% | 0.253 | C | S | . | . | trans | -98 | 4.8 | -170.9 | 65.7 | 0 | 0 | 0 | 0 | 114.9 | S75 D79 S80 Q1596 | S75-C77 PolarHBondContact O-N 2.86Å; C77-D79 PolarHBondContact O-N 3.17Å; C77-D79 VanDerWaalsContact O-N 3.12Å; C77-S80 WeakPolarHBondContact CA-OG 3.36Å; C77-S80 VanDerWaalsContact O-CB 3.28Å; C77-S80 WeakPolarHBondContact O-CB 3.44Å; C77-S80 PolarHBondContact O-N 3.34Å; C77-S80 PolarHBondContact O-OG 3.08Å; C77-Q1596 PolarHBondContact SG-NE2 2.9Å | ||
| 78 | F | 92.3 | Very high | 87.2 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 10% | 0.101 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17 | -168.3 | -53.8 | -76.6 | 0 | 0 | 0 | 115.4 | I38 D76 L1131 Q1596 F1599 L1643 L1646 | I38-F78 HydrophobicContact CG2-CD1 4.1Å; I38-F78 HydrophobicContact CG2-CE1 4.07Å; D76-F78 WeakPolarHBondContact OD1-CD2 3.18Å; F78-L1131 HydrophobicContact CB-CB 4.26Å; F78-L1131 HydrophobicContact CD1-CD2 3.81Å; F78-L1131 HydrophobicContact CD2-CB 4.44Å; F78-L1131 HydrophobicContact CD2-CD2 4.03Å; F78-L1131 HydrophobicContact CE1-CD2 3.9Å; F78-L1131 HydrophobicContact CE2-CD2 4.14Å; F78-L1131 HydrophobicContact CG-CB 4.28Å; F78-L1131 HydrophobicContact CG-CD2 3.88Å; F78-L1131 HydrophobicContact CZ-CD2 4.07Å; F78-Q1596 HydrophobicContact CZ-CG 4.43Å; F78-F1599 HydrophobicContact CE1-CB 3.55Å; F78-F1599 HydrophobicContact CZ-CB 3.55Å; F78-F1599 HydrophobicContact CZ-CD2 4.03Å; F78-F1599 HydrophobicContact CZ-CG 4.19Å; F78-L1643 HydrophobicContact CE2-CD1 3.74Å; F78-L1643 HydrophobicContact CZ-CD1 4.11Å; F78-L1646 HydrophobicContact CZ-CD2 4.46Å |
| 79 | D | 90.2 | Very high | 87.5 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 20% | 0.198 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 13.8 | 176.1 | -62.3 | -19.8 | 0 | 0 | 0 | 112.2 | P68 C77 F81 S1129 S1130 | P68-D79 WeakPolarHBondContact CD-O 3.39Å; P68-D79 HydrophobicContact CG-CB 3.6Å; P68-D79 VanDerWaalsContact CG-O 3.3Å; P68-D79 WeakPolarHBondContact CG-O 3.39Å; C77-D79 PolarHBondContact O-N 3.17Å; C77-D79 VanDerWaalsContact O-N 3.12Å; D79-F81 WeakPolarHBondContact O-CD1 3.16Å; D79-S1129 WeakPolarHBondContact OD2-CA 3.1Å; D79-S1129 WeakPolarHBondContact OD2-CB 3.23Å; D79-S1130 WeakPolarHBondContact OD1-CB 3.44Å; D79-S1130 PolarHBondContact OD1-N 3.44Å; D79-S1130 PolarHBondContact OD1-OG 3.1Å; D79-S1130 PolarHBondContact OD2-N 2.74Å |
| 80 | S | 92.5 | Very high | 87.9 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | trans | -71.6 | 145.2 | -174.5 | -49.9 | 0 | 0 | 0 | 0 | 112 | N66 C77 | N66-S80 CarbonylContact O-C 3.46Å; N66-S80 WeakPolarHBondContact O-CA 3.29Å; N66-S80 WeakPolarHBondContact O-CB 3.31Å; C77-S80 WeakPolarHBondContact CA-OG 3.36Å; C77-S80 VanDerWaalsContact O-CB 3.28Å; C77-S80 WeakPolarHBondContact O-CB 3.44Å; C77-S80 PolarHBondContact O-N 3.34Å; C77-S80 PolarHBondContact O-OG 3.08Å | ||
| 81 | F | 94.3 | Very high | 88.6 | Confident | 29 Ų | 29 | 39.7 Ų | 39.7 | 13% | 0.127 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 157.3 | -179.7 | 61.9 | -89.9 | 0 | 0 | 0 | 112.3 | H30 F31 V32 N66 P68 D79 E83 | H30-F81 HydrophobicContact CB-CB 4.31Å; H30-F81 HydrophobicContact CB-CD2 3.87Å; H30-F81 HydrophobicContact CB-CG 4.17Å; H30-F81 AromaticContact CD2-CD2 3.65Å; H30-F81 AromaticContact CD2-CE2 3.53Å; H30-F81 AromaticContact CE1-CD2 3.98Å; H30-F81 AromaticContact CE1-CE2 3.35Å; H30-F81 WeakPolarHBondContact CE1-CE2 3.41Å; H30-F81 AromaticContact CE1-CZ 3.52Å; H30-F81 AromaticContact CG-CD2 3.51Å; H30-F81 AromaticContact CG-CE2 3.67Å; H30-F81 AromaticContact ND1-CD2 3.75Å; H30-F81 AromaticContact ND1-CE2 3.59Å; H30-F81 AromaticContact ND1-CZ 3.84Å; H30-F81 AromaticContact NE2-CD2 3.94Å; H30-F81 AromaticContact NE2-CE2 3.31Å; H30-F81 VanDerWaalsContact NE2-CE2 3.31Å; H30-F81 WeakPolarHBondContact NE2-CE2 3.44Å; H30-F81 AromaticContact NE2-CZ 3.91Å; F31-F81 CarbonylContact O-C 3.55Å; F31-F81 WeakPolarHBondContact O-CA 3.24Å; F31-F81 WeakPolarHBondContact O-CB 3.26Å; V32-F81 HydrophobicContact CG2-CB 4.21Å; N66-F81 HydrophobicContact CB-CD2 4.46Å; N66-F81 HydrophobicContact CB-CE2 4.11Å; N66-F81 HydrophobicContact CB-CZ 4.14Å; N66-F81 WeakPolarHBondContact CB-O 3.4Å; N66-F81 PolarHBondContact N-O 3.36Å; N66-F81 PolarHBondContact O-N 2.84Å; P68-F81 HydrophobicContact CB-CE1 4.11Å; P68-F81 HydrophobicContact CG-CD1 4.45Å; P68-F81 HydrophobicContact CG-CE1 3.97Å; D79-F81 WeakPolarHBondContact O-CD1 3.16Å; F81-E83 HydrophobicContact CD2-CB 4.3Å; F81-E83 HydrophobicContact CE2-CB 4.04Å |
| 82 | F | 96.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 140.8 | 166.3 | -53.5 | -85.2 | 0 | 0 | 0 | 109.9 | L10 H30 F31 L33 I42 F44 L63 P64 L65 | L10-F82 HydrophobicContact CD1-CD2 4.04Å; L10-F82 HydrophobicContact CD1-CE2 4.2Å; H30-F82 CarbonylContact C-O 3.59Å; H30-F82 WeakPolarHBondContact CA-O 3.23Å; F31-F82 HydrophobicContact CB-CB 4.12Å; F31-F82 HydrophobicContact CB-CD2 4.31Å; F31-F82 HydrophobicContact CD2-CB 4.32Å; F31-F82 PolarHBondContact N-O 2.81Å; F31-F82 PolarHBondContact O-N 2.76Å; L33-F82 HydrophobicContact CD2-CD2 4.46Å; L33-F82 HydrophobicContact CD2-CE2 3.87Å; I42-F82 HydrophobicContact CB-CZ 4.12Å; I42-F82 HydrophobicContact CG2-CE2 3.84Å; I42-F82 HydrophobicContact CG2-CZ 3.7Å; F44-F82 HydrophobicContact CB-CD1 3.6Å; F44-F82 HydrophobicContact CB-CD2 3.72Å; F44-F82 HydrophobicContact CB-CE1 3.53Å; F44-F82 HydrophobicContact CB-CE2 3.65Å; F44-F82 HydrophobicContact CB-CG 3.7Å; F44-F82 HydrophobicContact CB-CZ 3.55Å; F44-F82 HydrophobicContact CD1-CB 4.31Å; F44-F82 HydrophobicContact CD1-CG 4.31Å; F44-F82 AromaticContact CD2-CD2 3.96Å; F44-F82 HydrophobicContact CD2-CD2 3.96Å; F44-F82 HydrophobicContact CD2-CE2 4.28Å; F44-F82 HydrophobicContact CD2-CG 4.39Å; F44-F82 HydrophobicContact CG-CB 4.32Å; F44-F82 HydrophobicContact CG-CD1 4.25Å; F44-F82 AromaticContact CG-CD2 3.89Å; F44-F82 HydrophobicContact CG-CD2 3.89Å; F44-F82 HydrophobicContact CG-CE2 4.23Å; F44-F82 AromaticContact CG-CG 3.89Å; F44-F82 HydrophobicContact CG-CG 3.89Å; L63-F82 HydrophobicContact CB-CB 4.18Å; L63-F82 HydrophobicContact CB-CD1 4.22Å; L63-F82 HydrophobicContact CD1-CB 4.45Å; L63-F82 VanDerWaalsContact O-CD1 3.24Å; L63-F82 WeakPolarHBondContact O-CD1 3.33Å; L63-F82 WeakPolarHBondContact O-CE1 3.43Å; P64-F82 WeakPolarHBondContact O-CD1 3.3Å; L65-F82 HydrophobicContact CB-CD1 4.26Å; L65-F82 HydrophobicContact CB-CE1 3.7Å; L65-F82 HydrophobicContact CB-CZ 4.14Å; L65-F82 HydrophobicContact CD1-CD1 4.29Å; L65-F82 HydrophobicContact CD1-CD2 4.24Å; L65-F82 HydrophobicContact CD1-CE1 3.94Å; L65-F82 HydrophobicContact CD1-CE2 3.88Å; L65-F82 HydrophobicContact CD1-CG 4.44Å; L65-F82 HydrophobicContact CD1-CZ 3.71Å; L65-F82 HydrophobicContact CG-CE1 4.42Å; L65-F82 HydrophobicContact CG-CZ 4.46Å |
| 83 | E | 95.3 | Very high | 90.5 | Very high | 53 Ų | 53 | 35.6 Ų | 35.6 | 25% | 0.248 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.9 | -175.9 | -176.6 | 175.6 | 86.7 | 0 | 0 | 112.1 | V28 H30 F81 K85 | V28-E83 HydrophobicContact CG1-CG 4.04Å; H30-E83 IonicContact CD2-OE2 3.9Å; H30-E83 IonicContact CE1-OE2 2.93Å; H30-E83 IonicContact NE2-OE2 3.78Å; H30-E83 PolarHBondContact NE2-OE2 2.97Å; F81-E83 HydrophobicContact CD2-CB 4.3Å; F81-E83 HydrophobicContact CE2-CB 4.04Å; E83-K85 HydrophobicContact CG-CB 4.46Å; E83-K85 WeakPolarHBondContact OE1-CD 3.37Å; E83-K85 WeakPolarHBondContact OE1-CE 2.98Å; E83-K85 IonicContact OE1-NZ 2.71Å; E83-K85 PolarHBondContact OE1-NZ 3.21Å |
| 84 | L | 94.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.7 | 164.3 | -179.2 | 69 | 0 | 0 | 0 | 109.4 | V28 V29 F31 I46 Y48 R61 L63 I87 I123 | V28-L84 CarbonylContact C-O 3.57Å; V28-L84 WeakPolarHBondContact CA-O 3.23Å; V29-L84 HydrophobicContact CB-CB 4.3Å; V29-L84 PolarHBondContact N-O 3.36Å; V29-L84 PolarHBondContact O-N 2.66Å; F31-L84 HydrophobicContact CE2-CB 4.03Å; I46-L84 HydrophobicContact CD1-CD2 4.06Å; Y48-L84 HydrophobicContact CD1-CD1 3.75Å; Y48-L84 HydrophobicContact CD2-CD2 4.4Å; Y48-L84 HydrophobicContact CE1-CD1 4.39Å; Y48-L84 HydrophobicContact CG-CD1 3.96Å; Y48-L84 HydrophobicContact CG-CD2 4.3Å; R61-L84 VanDerWaalsContact NH2-CD1 3.28Å; L63-L84 HydrophobicContact CD1-CB 4.44Å; L84-I87 HydrophobicContact CD2-CD1 3.83Å; L84-I87 HydrophobicContact CD2-CG1 4.23Å; L84-I87 HydrophobicContact CG-CD1 4.04Å; L84-I87 HydrophobicContact CG-CG1 4.11Å; L84-I123 HydrophobicContact CD2-CD1 3.35Å |
| 85 | K | 90.1 | Very high | 91.8 | Very high | 109 Ų | 109 | 25.4 Ų | 25.4 | 47% | 0.474 | 13% | 0.127 | S | C | . | . | trans | -132.7 | 170.4 | -179.6 | 61 | 177.2 | 160.6 | -138.2 | 0 | 111.4 | V28 E83 | V28-K85 HydrophobicContact CG1-CB 4.41Å; V28-K85 HydrophobicContact CG2-CB 4.21Å; E83-K85 HydrophobicContact CG-CB 4.46Å; E83-K85 WeakPolarHBondContact OE1-CD 3.37Å; E83-K85 WeakPolarHBondContact OE1-CE 2.98Å; E83-K85 IonicContact OE1-NZ 2.71Å; E83-K85 PolarHBondContact OE1-NZ 3.21Å | ||
| 86 | K | 84.5 | Confident | 92.2 | Very high | 142 Ų | 142 | 25.6 Ų | 25.6 | 62% | 0.617 | 13% | 0.128 | S | C | * | . | trans | 59.3 | 45.8 | -179.8 | -56 | 177.9 | 178.4 | -179.5 | 0 | 111.8 | S88 | K86-S88 PolarHBondContact O-N 2.97Š| ||
| 87 | I | 88.2 | Confident | 92.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -72.6 | 113.9 | -179 | -58.1 | -178.3 | 0 | 0 | 0 | 109.1 | I23 N26 D27 V29 Y48 L84 V125 | I23-I87 HydrophobicContact CD1-CD1 3.49Å; I23-I87 VanDerWaalsContact CD1-CD1 3.49Å; I23-I87 HydrophobicContact CD1-CG2 4.47Å; N26-I87 PolarHBondContact N-O 2.58Å; D27-I87 WeakPolarHBondContact O-CD1 3.35Å; D27-I87 WeakPolarHBondContact O-CG1 3.45Å; V29-I87 HydrophobicContact CG2-CD1 3.99Å; Y48-I87 HydrophobicContact CE2-CG2 4.07Å; Y48-I87 WeakPolarHBondContact OH-CA 3.24Å; L84-I87 HydrophobicContact CD2-CD1 3.83Å; L84-I87 HydrophobicContact CD2-CG1 4.23Å; L84-I87 HydrophobicContact CG-CD1 4.04Å; L84-I87 HydrophobicContact CG-CG1 4.11Å; I87-V125 HydrophobicContact CG2-CB 4.3Å; I87-V125 HydrophobicContact CG2-CG1 3.69Å; I87-V125 HydrophobicContact CG2-CG2 3.56Å | ||
| 88 | S | 86.2 | Confident | 92.6 | Very high | 63 Ų | 63 | 24.9 Ų | 24.9 | 44% | 0.441 | 12% | 0.122 | S | C | . | . | trans | -133.9 | -22.2 | -173.7 | 65 | 0 | 0 | 0 | 0 | 113.8 | K25 Y48 K86 | K25-S88 WeakPolarHBondContact CE-O 3.43Å; Y48-S88 PolarHBondContact OH-N 2.95Å; K86-S88 PolarHBondContact O-N 2.97Å | ||
| 89 | V | 89.7 | Confident | 92.6 | Very high | 33 Ų | 33 | 27.6 Ų | 27.6 | 20% | 0.2 | 13% | 0.134 | C | C | . | . | trans | -94.6 | 128.5 | -179.4 | -175 | 0 | 0 | 0 | 0 | 108.5 | Y48 P49 F93 V125 | Y48-V89 PolarHBondContact OH-N 2.65Å; Y48-V89 VanDerWaalsContact OH-N 3.17Å; P49-V89 HydrophobicContact CG-CB 4.48Å; P49-V89 HydrophobicContact CG-CG2 4.09Å; V89-F93 HydrophobicContact CB-CZ 4.1Å; V89-F93 HydrophobicContact CG1-CZ 3.97Å; V89-V125 WeakPolarHBondContact O-CB 3.21Å; V89-V125 WeakPolarHBondContact O-CG1 3.46Å | ||
| 90 | C | 91.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | trans | -85 | 155.9 | 177.6 | 85.7 | 0 | 0 | 0 | 0 | 111 | V125 P127 P583 N584 | C90-V125 WeakPolarHBondContact CA-O 3.38Å; C90-V125 WeakPolarHBondContact CB-O 3.27Å; C90-P127 HydrophobicContact CB-CB 4.31Å; C90-P583 PolarHBondContact N-O 3.08Å; C90-P583 PolarHBondContact SG-O 3.29Å; C90-N584 WeakPolarHBondContact SG-CA 3.39Å | ||
| 91 | G | 92.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 128.1 | -166.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F93 I124 V125 | G91-F93 WeakPolarHBondContact O-CE2 3.24Å; G91-I124 CarbonylContact O-C 3.58Å; G91-I124 WeakPolarHBondContact O-CA 3.46Å; G91-V125 PolarHBondContact N-O 3.13Å; G91-V125 PolarHBondContact O-N 3.11Å |
| 92 | S | 93.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 133 | -179.1 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | Y122 I123 N604 G607 | S92-Y122 WeakPolarHBondContact OG-CD1 3.16Å; S92-I123 WeakPolarHBondContact CA-O 3.38Å; S92-N604 WeakPolarHBondContact CB-O 3.23Å; S92-N604 PolarHBondContact OG-O 3.44Å; S92-G607 VanDerWaalsContact CB-CA 3.43Å |
| 93 | F | 95.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.7 | -177.5 | -52.9 | -83.4 | 0 | 0 | 0 | 109.2 | N47 Y48 F55 V89 G91 Y122 I123 V125 | N47-F93 WeakPolarHBondContact OD1-CA 3.44Å; N47-F93 WeakPolarHBondContact OD1-CB 3.39Å; Y48-F93 HydrophobicContact CD2-CB 4.41Å; Y48-F93 AromaticContact CD2-CD1 3.72Å; Y48-F93 HydrophobicContact CD2-CD1 3.72Å; Y48-F93 AromaticContact CD2-CD2 3.59Å; Y48-F93 HydrophobicContact CD2-CD2 3.59Å; Y48-F93 AromaticContact CD2-CE1 3.77Å; Y48-F93 HydrophobicContact CD2-CE1 3.77Å; Y48-F93 AromaticContact CD2-CE2 3.64Å; Y48-F93 HydrophobicContact CD2-CE2 3.64Å; Y48-F93 AromaticContact CD2-CG 3.62Å; Y48-F93 HydrophobicContact CD2-CG 3.62Å; Y48-F93 AromaticContact CD2-CZ 3.72Å; Y48-F93 HydrophobicContact CD2-CZ 3.72Å; Y48-F93 HydrophobicContact CE2-CD2 4.12Å; Y48-F93 HydrophobicContact CE2-CE1 4.18Å; Y48-F93 AromaticContact CE2-CE2 3.71Å; Y48-F93 HydrophobicContact CE2-CE2 3.71Å; Y48-F93 AromaticContact CE2-CZ 3.74Å; Y48-F93 HydrophobicContact CE2-CZ 3.74Å; Y48-F93 HydrophobicContact CG-CD1 4.23Å; Y48-F93 HydrophobicContact CG-CE1 4.44Å; Y48-F93 HydrophobicContact CG-CG 4.34Å; F55-F93 HydrophobicContact CD2-CD1 4.02Å; F55-F93 AromaticContact CD2-CE1 3.8Å; F55-F93 HydrophobicContact CD2-CE1 3.8Å; F55-F93 AromaticContact CE2-CD1 3.76Å; F55-F93 HydrophobicContact CE2-CD1 3.76Å; F55-F93 AromaticContact CE2-CE1 3.97Å; F55-F93 HydrophobicContact CE2-CE1 3.97Å; F55-F93 HydrophobicContact CG-CE1 4.4Å; V89-F93 HydrophobicContact CB-CZ 4.1Å; V89-F93 HydrophobicContact CG1-CZ 3.97Å; G91-F93 WeakPolarHBondContact O-CE2 3.24Å; F93-Y122 CarbonylContact O-C 3.49Å; F93-Y122 WeakPolarHBondContact O-CA 3.5Å; F93-I123 HydrophobicContact CB-CD1 4.34Å; F93-I123 HydrophobicContact CB-CG1 3.85Å; F93-I123 HydrophobicContact CD2-CG1 4.36Å; F93-I123 PolarHBondContact N-O 2.83Å; F93-I123 PolarHBondContact O-N 2.84Å; F93-V125 HydrophobicContact CD2-CG2 3.92Å; F93-V125 HydrophobicContact CE2-CB 4.1Å; F93-V125 HydrophobicContact CE2-CG2 3.62Å |
| 94 | H | 95.8 | Very high | 91.2 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 142.9 | -179.3 | -180 | -107.9 | 0 | 0 | 0 | 109.8 | N47 Y60 G121 Y122 | N47-H94 PolarHBondContact N-O 3.29Å; N47-H94 PolarHBondContact OD1-N 3.17Å; N47-H94 PolarHBondContact OD1-O 3.42Å; Y60-H94 HydrophobicContact CE1-CB 4.46Å; Y60-H94 AromaticContact CE1-ND1 3.57Å; Y60-H94 WeakPolarHBondContact CE1-O 3.39Å; Y60-H94 AromaticContact CZ-ND1 3.6Å; Y60-H94 PolarHBondContact OH-ND1 3.44Å; H94-G121 WeakPolarHBondContact CA-O 3.37Å; H94-G121 PolarHBondContact CD2-O 2.66Å; H94-Y122 HydrophobicContact CB-CD1 3.96Å; H94-Y122 HydrophobicContact CB-CE1 3.65Å; H94-Y122 AromaticContact CD2-CE1 3.81Å; H94-Y122 AromaticContact CD2-CE2 3.61Å; H94-Y122 AromaticContact CD2-CZ 3.46Å; H94-Y122 VanDerWaalsContact CD2-CZ 3.46Å |
| 95 | F | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 156.4 | 169.9 | 64.8 | -92.2 | 0 | 0 | 0 | 111.2 | Y8 L10 M14 F31 F44 F45 I46 S120 G121 I123 | Y8-F95 HydrophobicContact CD1-CZ 4.36Å; Y8-F95 AromaticContact CE1-CZ 3.82Å; Y8-F95 HydrophobicContact CE1-CZ 3.82Å; Y8-F95 AromaticContact CE2-CE1 3.91Å; Y8-F95 HydrophobicContact CE2-CE1 3.91Å; Y8-F95 AromaticContact CE2-CZ 3.97Å; Y8-F95 HydrophobicContact CE2-CZ 3.97Å; Y8-F95 AromaticContact CZ-CE1 3.95Å; Y8-F95 AromaticContact CZ-CZ 3.56Å; L10-F95 HydrophobicContact CD2-CD2 4.48Å; L10-F95 HydrophobicContact CD2-CE2 3.71Å; L10-F95 HydrophobicContact CD2-CZ 4.33Å; M14-F95 HydrophobicContact CE-CE2 3.6Å; M14-F95 HydrophobicContact CE-CZ 3.44Å; M14-F95 VanDerWaalsContact CE-CZ 3.44Å; M14-F95 HydrophobicContact SD-CE2 4.47Å; F31-F95 HydrophobicContact CD1-CZ 4.46Å; F31-F95 AromaticContact CE1-CD1 3.97Å; F31-F95 HydrophobicContact CE1-CD1 3.97Å; F31-F95 AromaticContact CE1-CE1 3.79Å; F31-F95 HydrophobicContact CE1-CE1 3.79Å; F31-F95 HydrophobicContact CE1-CE2 4.45Å; F31-F95 HydrophobicContact CE1-CG 4.37Å; F31-F95 HydrophobicContact CE1-CZ 4.04Å; F31-F95 HydrophobicContact CZ-CD1 4.38Å; F44-F95 HydrophobicContact CD2-CD2 4.5Å; F44-F95 HydrophobicContact CE1-CB 4.06Å; F44-F95 HydrophobicContact CE2-CB 4.11Å; F44-F95 AromaticContact CE2-CD2 3.43Å; F44-F95 HydrophobicContact CE2-CD2 3.43Å; F44-F95 VanDerWaalsContact CE2-CD2 3.43Å; F44-F95 HydrophobicContact CE2-CE2 4.08Å; F44-F95 AromaticContact CE2-CG 3.93Å; F44-F95 HydrophobicContact CE2-CG 3.93Å; F44-F95 HydrophobicContact CZ-CB 3.53Å; F44-F95 HydrophobicContact CZ-CD1 4.39Å; F44-F95 AromaticContact CZ-CD2 3.63Å; F44-F95 HydrophobicContact CZ-CD2 3.63Å; F44-F95 HydrophobicContact CZ-CE2 4.45Å; F44-F95 AromaticContact CZ-CG 3.6Å; F44-F95 HydrophobicContact CZ-CG 3.6Å; F45-F95 CarbonylContact O-C 3.53Å; F45-F95 WeakPolarHBondContact O-CA 3.3Å; F45-F95 VanDerWaalsContact O-CB 3.3Å; F45-F95 WeakPolarHBondContact O-CB 3.3Å; I46-F95 HydrophobicContact CB-CB 3.98Å; I46-F95 HydrophobicContact CD1-CB 4.27Å; I46-F95 HydrophobicContact CG1-CB 3.92Å; F95-S120 VanDerWaalsContact O-CA 3.27Å; F95-S120 WeakPolarHBondContact O-CA 3.37Å; F95-G121 WeakPolarHBondContact CD1-O 3.34Å; F95-G121 PolarHBondContact N-O 2.69Å; F95-G121 PolarHBondContact O-N 3.35Å; F95-I123 HydrophobicContact CE1-CG2 4.26Å |
| 96 | Y | 95.3 | Very high | 90 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 161.9 | 170.9 | 69.3 | -86.9 | 0 | 0 | 0 | 109.9 | F45 Y60 P104 P106 I117 G119 | F45-Y96 HydrophobicContact CB-CD1 4.03Å; F45-Y96 HydrophobicContact CB-CD2 4.35Å; F45-Y96 HydrophobicContact CB-CE1 3.6Å; F45-Y96 HydrophobicContact CB-CE2 3.94Å; F45-Y96 HydrophobicContact CB-CG 4.39Å; F45-Y96 AromaticContact CD2-CD2 3.96Å; F45-Y96 HydrophobicContact CD2-CD2 3.96Å; F45-Y96 AromaticContact CD2-CE2 3.4Å; F45-Y96 HydrophobicContact CD2-CE2 3.4Å; F45-Y96 AromaticContact CD2-CZ 3.79Å; F45-Y96 HydrophobicContact CE2-CE2 4.16Å; F45-Y96 HydrophobicContact CG-CE1 4.3Å; F45-Y96 AromaticContact CG-CE2 3.87Å; F45-Y96 HydrophobicContact CG-CE2 3.87Å; F45-Y96 AromaticContact CG-CZ 3.74Å; F45-Y96 PolarHBondContact N-O 3.2Å; F45-Y96 PolarHBondContact O-N 3.48Å; F45-Y96 VanDerWaalsContact O-O 3.14Å; Y60-Y96 AromaticContact CD1-CD1 3.79Å; Y60-Y96 HydrophobicContact CD1-CD1 3.79Å; Y60-Y96 AromaticContact CD1-CE1 3.45Å; Y60-Y96 HydrophobicContact CD1-CE1 3.45Å; Y60-Y96 VanDerWaalsContact CD1-CE1 3.45Å; Y60-Y96 HydrophobicContact CD2-CE1 4.22Å; Y60-Y96 AromaticContact CE1-CD1 3.68Å; Y60-Y96 HydrophobicContact CE1-CD1 3.68Å; Y60-Y96 AromaticContact CE1-CE1 3.7Å; Y60-Y96 HydrophobicContact CE1-CE1 3.7Å; Y60-Y96 HydrophobicContact CE2-CE1 4.44Å; Y60-Y96 AromaticContact CG-CE1 3.74Å; Y60-Y96 HydrophobicContact CG-CE1 3.74Å; Y96-P104 HydrophobicContact CD2-CG 4.45Å; Y96-P104 HydrophobicContact CE2-CG 4Å; Y96-P104 PolarHBondContact OH-O 2.88Å; Y96-P106 HydrophobicContact CE1-CB 4.09Å; Y96-P106 HydrophobicContact CE1-CG 4.15Å; Y96-I117 HydrophobicContact CD2-CD1 4.49Å; Y96-I117 HydrophobicContact CD2-CG1 4.35Å; Y96-G119 CarbonylContact C-O 3.59Å; Y96-G119 VanDerWaalsContact CA-O 3.24Å; Y96-G119 WeakPolarHBondContact CA-O 3.45Å; Y96-G119 WeakPolarHBondContact CB-O 3.11Å |
| 97 | F | 95.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 152.4 | 176.9 | 56.4 | -86.2 | 0 | 0 | 0 | 111.9 | L10 Y11 M14 L37 I42 R43 F44 A118 G119 | L10-F97 HydrophobicContact CB-CE1 4.2Å; L10-F97 HydrophobicContact CB-CZ 4.16Å; L10-F97 HydrophobicContact CD1-CD1 4.26Å; L10-F97 HydrophobicContact CD1-CE1 4.39Å; L10-F97 HydrophobicContact CD2-CD1 4.3Å; L10-F97 HydrophobicContact CD2-CE1 3.91Å; L10-F97 HydrophobicContact CG-CE1 4.41Å; Y11-F97 WeakPolarHBondContact O-CZ 3.33Å; M14-F97 HydrophobicContact CB-CZ 4.39Å; M14-F97 HydrophobicContact SD-CE1 4.07Å; M14-F97 HydrophobicContact SD-CZ 4.36Å; L37-F97 HydrophobicContact CD1-CD2 4.18Å; L37-F97 HydrophobicContact CD1-CE2 3.48Å; L37-F97 VanDerWaalsContact CD1-CE2 3.48Å; L37-F97 HydrophobicContact CD1-CZ 3.94Å; L37-F97 HydrophobicContact CD2-CE2 3.88Å; L37-F97 HydrophobicContact CG-CE2 4.34Å; I42-F97 HydrophobicContact CG2-CB 4.18Å; I42-F97 HydrophobicContact CG2-CD2 4.28Å; R43-F97 CarbonylContact O-C 3.46Å; R43-F97 WeakPolarHBondContact O-CA 3.35Å; R43-F97 VanDerWaalsContact O-CB 3.27Å; R43-F97 WeakPolarHBondContact O-CB 3.47Å; F44-F97 HydrophobicContact CB-CB 4.41Å; F44-F97 HydrophobicContact CD2-CB 4.1Å; F44-F97 HydrophobicContact CD2-CD1 4.28Å; F97-A118 HydrophobicContact CD2-CB 3.9Å; F97-A118 HydrophobicContact CE2-CB 3.84Å; F97-A118 PolarHBondContact O-N 2.81Å; F97-G119 PolarHBondContact N-O 3.47Å; F97-G119 PolarHBondContact O-N 2.95Å |
| 98 | S | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 158 | 169.8 | 63.7 | 0 | 0 | 0 | 0 | 109.7 | I42 R43 D100 S102 N116 | I42-S98 VanDerWaalsContact CA-O 3.26Å; I42-S98 WeakPolarHBondContact CA-O 3.44Å; I42-S98 WeakPolarHBondContact CG2-O 3.41Å; R43-S98 PolarHBondContact N-O 2.87Å; R43-S98 PolarHBondContact O-N 2.96Å; S98-D100 WeakPolarHBondContact CB-OD1 3.23Å; S98-S102 WeakPolarHBondContact CB-O 3.34Å; S98-S102 PolarHBondContact OG-O 3.46Å; S98-N116 WeakPolarHBondContact CB-O 3.48Å |
| 99 | K | 91.5 | Very high | 86.4 | Confident | 80 Ų | 80 | 33.5 Ų | 33.5 | 35% | 0.348 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -114.1 | -6.7 | 178.4 | 70.2 | -173.7 | 176.7 | -163.9 | 0 | 113.7 | D12 L37 C40 N41 A118 | D12-K99 WeakPolarHBondContact OD1-CD 3.43Å; D12-K99 IonicContact OD1-NZ 3.83Å; D12-K99 PolarHBondContact OD1-NZ 3.39Å; D12-K99 IonicContact OD2-NZ 3.3Å; D12-K99 PolarHBondContact OD2-NZ 3Å; L37-K99 HydrophobicContact CD2-CB 4.47Å; C40-K99 HydrophobicContact CB-CB 3.94Å; C40-K99 WeakPolarHBondContact CB-O 3.47Å; N41-K99 PolarHBondContact N-O 2.87Å; N41-K99 CarbonylContact O-C 3.5Å; K99-A118 HydrophobicContact CB-CB 3.79Å; K99-A118 HydrophobicContact CD-CB 3.84Å; K99-A118 HydrophobicContact CG-CB 3.83Å |
| 100 | D | 90 | Very high | 84.3 | Confident | 86 Ų | 86 | 35.7 Ų | 35.7 | 46% | 0.46 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -104.9 | 2.9 | -175.6 | 67.3 | -18 | 0 | 0 | 0 | 113.2 | S98 S102 | S98-D100 WeakPolarHBondContact CB-OD1 3.23Å; D100-S102 VanDerWaalsContact C-N 3.28Å; D100-S102 VanDerWaalsContact CG-OG 3.29Å; D100-S102 PolarHBondContact O-N 3.45Å; D100-S102 WeakPolarHBondContact OD1-CB 3.37Å; D100-S102 PolarHBondContact OD1-N 2.64Å; D100-S102 PolarHBondContact OD1-OG 3.14Å; D100-S102 WeakPolarHBondContact OD2-CB 3.48Å; D100-S102 PolarHBondContact OD2-OG 3.48Å |
| 101 | G | 88.3 | Confident | 82.2 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 81.2 | 1.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N41 R43 | N41-G101 WeakPolarHBondContact ND2-CA 3.14Å; N41-G101 WeakPolarHBondContact O-CA 3.41Å; N41-G101 PolarHBondContact O-N 2.92Å; R43-G101 WeakPolarHBondContact CD-O 3.4Å; R43-G101 PolarHBondContact NH1-O 2.63Å |
| 102 | S | 90.4 | Very high | 80 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 19% | 0.189 | 31% | 0.308 | C | S | . | . | trans | -71.2 | 156.7 | 177.3 | 69.8 | 0 | 0 | 0 | 0 | 111.7 | S98 D100 P104 N116 | S98-S102 WeakPolarHBondContact CB-O 3.34Å; S98-S102 PolarHBondContact OG-O 3.46Å; D100-S102 VanDerWaalsContact C-N 3.28Å; D100-S102 VanDerWaalsContact CG-OG 3.29Å; D100-S102 PolarHBondContact O-N 3.45Å; D100-S102 WeakPolarHBondContact OD1-CB 3.37Å; D100-S102 PolarHBondContact OD1-N 2.64Å; D100-S102 PolarHBondContact OD1-OG 3.14Å; D100-S102 WeakPolarHBondContact OD2-CB 3.48Å; D100-S102 PolarHBondContact OD2-OG 3.48Å; S102-P104 WeakPolarHBondContact O-CD 3.47Å; S102-N116 WeakPolarHBondContact OG-CB 3.14Å | ||
| 103 | S | 87.5 | Confident | 78 | Confident | 68 Ų | 68 | 51.8 Ų | 51.8 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | trans | -104.8 | 76 | 166.1 | -71.2 | 0 | 0 | 0 | 0 | 109.1 | R43 | R43-S103 PolarHBondContact NH1-OG 3.16Å; R43-S103 PolarHBondContact NH2-OG 3.33Å | ||
| 104 | P | 84.6 | Confident | 76.4 | Confident | 14 Ų | 14 | 55 Ų | 55 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 144.8 | 178.2 | 25.6 | -28.1 | 0 | 0 | 0 | 109.3 | Y96 S102 N116 I117 | Y96-P104 HydrophobicContact CD2-CG 4.45Å; Y96-P104 HydrophobicContact CE2-CG 4Å; Y96-P104 PolarHBondContact OH-O 2.88Å; S102-P104 WeakPolarHBondContact O-CD 3.47Å; P104-N116 HydrophobicContact CB-CB 4.21Å; P104-N116 HydrophobicContact CG-CB 4.47Å; P104-I117 HydrophobicContact CB-CG1 4.06Å; P104-I117 HydrophobicContact CG-CG1 3.9Å |
| 105 | S | 81.2 | Confident | 75 | Confident | 70 Ų | 70 | 64 Ų | 64 | 49% | 0.49 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 147.2 | 170.3 | 49.6 | 0 | 0 | 0 | 0 | 109.6 | K114 | S105-K114 PolarHBondContact OG-NZ 3.33Š|
| 106 | P | 78.2 | Confident | 74.3 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 25% | 0.247 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 150.2 | 178.9 | -25.5 | 32.7 | 0 | 0 | 0 | 111.9 | Y60 Y96 S108 K114 | Y60-P106 HydrophobicContact CD2-CB 3.89Å; Y60-P106 HydrophobicContact CD2-CG 3.44Å; Y60-P106 VanDerWaalsContact CD2-CG 3.44Å; Y60-P106 HydrophobicContact CE2-CB 3.55Å; Y60-P106 HydrophobicContact CE2-CG 3.66Å; Y60-P106 HydrophobicContact CG-CG 4.27Å; Y96-P106 HydrophobicContact CE1-CB 4.09Å; Y96-P106 HydrophobicContact CE1-CG 4.15Å; P106-S108 PolarHBondContact O-N 2.68Å; P106-K114 PolarHBondContact O-NZ 2.8Å |
| 107 | P | 71.9 | Confident | 74.1 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 29% | 0.292 | 41% | 0.406 | S | S | . | . | trans | -60.7 | 113.6 | 173 | 23.2 | -29.1 | 0 | 0 | 0 | 108.7 | T109 I117 | P107-T109 PolarHBondContact O-N 2.93Å; P107-I117 HydrophobicContact CB-CD1 4.26Å; P107-I117 HydrophobicContact CG-CD1 4.36Å | ||
| 108 | S | 60.5 | Low | 73.9 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 58% | 0.58 | 41% | 0.408 | S | S | * | . | trans | -77.6 | 111.2 | 171 | 50.6 | 0 | 0 | 0 | 0 | 106.9 | P106 | P106-S108 PolarHBondContact O-N 2.68Š| ||
| 109 | T | 50.4 | Low | 73.9 | Confident | 117 Ų | 117 | 68.4 Ų | 68.4 | 72% | 0.718 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 23.1 | 108.5 | 162.4 | 45.1 | 0 | 0 | 0 | 0 | 117.2 | P107 | P107-T109 PolarHBondContact O-N 2.93Š|
| 110 | A | 46.3 | Very low | 74 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 65% | 0.645 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 71.6 | 115.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 111 | T | 46.8 | Very low | 74.3 | Confident | 151 Ų | 151 | 61.2 Ų | 61.2 | 93% | 0.926 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 84.5 | -0.8 | 146.8 | 40.1 | 0 | 0 | 0 | 0 | 123.3 | ||
| 112 | C | 47.2 | Very low | 74.6 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 73% | 0.73 | 37% | 0.371 | S | S | * | . | trans | -135 | 115 | 167.1 | -150.9 | 0 | 0 | 0 | 0 | 111.7 | K114 | C112-K114 PolarHBondContact O-N 3.49Å; C112-K114 VanDerWaalsContact O-N 3.08Å | ||
| 113 | M | 51.6 | Low | 74.9 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 41% | 0.409 | 36% | 0.362 | S | S | . | . | trans | -59.7 | 114.6 | 164.1 | -73.3 | -158.5 | -176.3 | 0 | 0 | 106.9 | N15 | N15-M113 HydrophobicContact CB-CE 3.83Š| ||
| 114 | K | 60.5 | Low | 75.2 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | trans | -56.7 | 149.5 | 174.5 | -71.8 | 175.5 | 176.2 | 166.1 | 0 | 109.2 | S105 P106 C112 N116 I117 | S105-K114 PolarHBondContact OG-NZ 3.33Å; P106-K114 PolarHBondContact O-NZ 2.8Å; C112-K114 PolarHBondContact O-N 3.49Å; C112-K114 VanDerWaalsContact O-N 3.08Å; K114-N116 PolarHBondContact O-N 3.28Å; K114-I117 HydrophobicContact CB-CD1 4.32Å; K114-I117 PolarHBondContact O-N 3.4Å | ||
| 115 | E | 66.7 | Low | 75.6 | Confident | 200 Ų | 200 | 56.7 Ų | 56.7 | 94% | 0.935 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -13.1 | -172.3 | -70.2 | -179.5 | 157 | 0 | 0 | 116.3 | ||
| 116 | N | 82.5 | Confident | 76.1 | Confident | 79 Ų | 79 | 54.4 Ų | 54.4 | 42% | 0.422 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 4.5 | -176.6 | -57.7 | -13.5 | 0 | 0 | 0 | 115.5 | S98 S102 P104 K114 | S98-N116 WeakPolarHBondContact CB-O 3.48Å; S102-N116 WeakPolarHBondContact OG-CB 3.14Å; P104-N116 HydrophobicContact CB-CB 4.21Å; P104-N116 HydrophobicContact CG-CB 4.47Å; K114-N116 PolarHBondContact O-N 3.28Å |
| 117 | I | 89.5 | Confident | 76.8 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 9% | 0.087 | 31% | 0.308 | C | S | . | . | trans | -87.8 | 119.2 | 175.1 | -63.6 | 175.2 | 0 | 0 | 0 | 108.5 | Y96 P104 P107 K114 | Y96-I117 HydrophobicContact CD2-CD1 4.49Å; Y96-I117 HydrophobicContact CD2-CG1 4.35Å; P104-I117 HydrophobicContact CB-CG1 4.06Å; P104-I117 HydrophobicContact CG-CG1 3.9Å; P107-I117 HydrophobicContact CB-CD1 4.26Å; P107-I117 HydrophobicContact CG-CD1 4.36Å; K114-I117 HydrophobicContact CB-CD1 4.32Å; K114-I117 PolarHBondContact O-N 3.4Å | ||
| 118 | A | 92.2 | Very high | 77.5 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | trans | -84.1 | -26.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E13 F97 K99 | E13-A118 VanDerWaalsContact CA-O 3.29Å; E13-A118 WeakPolarHBondContact CA-O 3.48Å; E13-A118 PolarHBondContact N-O 2.83Å; F97-A118 HydrophobicContact CD2-CB 3.9Å; F97-A118 HydrophobicContact CE2-CB 3.84Å; F97-A118 PolarHBondContact O-N 2.81Å; K99-A118 HydrophobicContact CB-CB 3.79Å; K99-A118 HydrophobicContact CD-CB 3.84Å; K99-A118 HydrophobicContact CG-CB 3.83Å | ||
| 119 | G | 94 | Very high | 78.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.7 | 163.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M14 Y96 F97 | M14-G119 CarbonylContact O-C 3.44Å; M14-G119 VanDerWaalsContact O-CA 3.26Å; M14-G119 WeakPolarHBondContact O-CA 3.36Å; Y96-G119 CarbonylContact C-O 3.59Å; Y96-G119 VanDerWaalsContact CA-O 3.24Å; Y96-G119 WeakPolarHBondContact CA-O 3.45Å; Y96-G119 WeakPolarHBondContact CB-O 3.11Å; F97-G119 PolarHBondContact N-O 3.47Å; F97-G119 PolarHBondContact O-N 2.95Å |
| 120 | S | 94.6 | Very high | 79.9 | Confident | 16 Ų | 16 | 48 Ų | 48 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 155 | -178.5 | 62.9 | 0 | 0 | 0 | 0 | 112.8 | M14 N15 T16 F95 | M14-S120 PolarHBondContact O-N 3.06Å; N15-S120 WeakPolarHBondContact CA-O 3.29Å; T16-S120 PolarHBondContact N-O 3.4Å; F95-S120 VanDerWaalsContact O-CA 3.27Å; F95-S120 WeakPolarHBondContact O-CA 3.37Å |
| 121 | G | 95.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | -176 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T16 H94 F95 | T16-G121 WeakPolarHBondContact OG1-CA 3.49Å; H94-G121 WeakPolarHBondContact CA-O 3.37Å; H94-G121 PolarHBondContact CD2-O 2.66Å; F95-G121 WeakPolarHBondContact CD1-O 3.34Å; F95-G121 PolarHBondContact N-O 2.69Å; F95-G121 PolarHBondContact O-N 3.35Å |
| 122 | Y | 95.5 | Very high | 81.3 | Confident | 24 Ų | 24 | 42 Ų | 42 | 9% | 0.094 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 151.1 | -176.8 | -69.5 | -93.4 | 0 | 0 | 0 | 111.9 | T16 E17 S92 F93 H94 N604 | T16-Y122 PolarHBondContact OG1-N 2.59Å; E17-Y122 HydrophobicContact CB-CE2 4.5Å; E17-Y122 HydrophobicContact CG-CE2 4.2Å; S92-Y122 WeakPolarHBondContact OG-CD1 3.16Å; F93-Y122 CarbonylContact O-C 3.49Å; F93-Y122 WeakPolarHBondContact O-CA 3.5Å; H94-Y122 HydrophobicContact CB-CD1 3.96Å; H94-Y122 HydrophobicContact CB-CE1 3.65Å; H94-Y122 AromaticContact CD2-CE1 3.81Å; H94-Y122 AromaticContact CD2-CE2 3.61Å; H94-Y122 AromaticContact CD2-CZ 3.46Å; H94-Y122 VanDerWaalsContact CD2-CZ 3.46Å; Y122-N604 WeakPolarHBondContact CB-OD1 3.34Å; Y122-N604 HydrophobicContact CD1-CB 4.05Å; Y122-N604 HydrophobicContact CD2-CB 3.82Å; Y122-N604 HydrophobicContact CE1-CB 4.41Å; Y122-N604 HydrophobicContact CE2-CB 4.23Å; Y122-N604 HydrophobicContact CG-CB 3.73Å |
| 123 | I | 95.3 | Very high | 81.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.6 | 162.6 | 59.6 | 174.1 | 0 | 0 | 0 | 109 | Y8 F21 I23 F31 I46 L84 S92 F93 F95 | Y8-I123 HydrophobicContact CD2-CG2 3.98Å; Y8-I123 HydrophobicContact CE2-CG2 3.9Å; F21-I123 WeakPolarHBondContact O-CA 2.96Å; I23-I123 HydrophobicContact CD1-CB 4.46Å; I23-I123 HydrophobicContact CD1-CD1 4.19Å; F31-I123 HydrophobicContact CE1-CG2 4.38Å; F31-I123 HydrophobicContact CZ-CG2 4.31Å; I46-I123 HydrophobicContact CD1-CD1 3.95Å; L84-I123 HydrophobicContact CD2-CD1 3.35Å; S92-I123 WeakPolarHBondContact CA-O 3.38Å; F93-I123 HydrophobicContact CB-CD1 4.34Å; F93-I123 HydrophobicContact CB-CG1 3.85Å; F93-I123 HydrophobicContact CD2-CG1 4.36Å; F93-I123 PolarHBondContact N-O 2.83Å; F93-I123 PolarHBondContact O-N 2.84Å; F95-I123 HydrophobicContact CE1-CG2 4.26Å |
| 124 | I | 94.4 | Very high | 81.2 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.6 | 177.4 | -62.1 | 171 | 0 | 0 | 0 | 108.7 | L20 F21 R22 I23 G91 I603 N604 | L20-I124 HydrophobicContact CD2-CD1 3.8Å; F21-I124 PolarHBondContact O-N 2.8Å; R22-I124 CarbonylContact C-O 3.56Å; R22-I124 WeakPolarHBondContact CA-O 3.32Å; R22-I124 HydrophobicContact CG-CB 4.17Å; R22-I124 HydrophobicContact CG-CG2 4.44Å; I23-I124 PolarHBondContact N-O 3.01Å; G91-I124 CarbonylContact O-C 3.58Å; G91-I124 WeakPolarHBondContact O-CA 3.46Å; I124-I603 HydrophobicContact CD1-CG2 3.49Å; I124-I603 VanDerWaalsContact CD1-CG2 3.49Å; I124-N604 WeakPolarHBondContact CD1-OD1 3.39Å |
| 125 | V | 94 | Very high | 80.5 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.4 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | I23 K25 Y48 I87 V89 C90 G91 F93 | I23-V125 HydrophobicContact CD1-CG2 3.91Å; I23-V125 HydrophobicContact CG1-CB 4.44Å; I23-V125 HydrophobicContact CG1-CG2 3.83Å; I23-V125 WeakPolarHBondContact O-CA 3.27Å; K25-V125 HydrophobicContact CG-CG1 4.01Å; Y48-V125 HydrophobicContact CE2-CG2 4.42Å; I87-V125 HydrophobicContact CG2-CB 4.3Å; I87-V125 HydrophobicContact CG2-CG1 3.69Å; I87-V125 HydrophobicContact CG2-CG2 3.56Å; V89-V125 WeakPolarHBondContact O-CB 3.21Å; V89-V125 WeakPolarHBondContact O-CG1 3.46Å; C90-V125 WeakPolarHBondContact CA-O 3.38Å; C90-V125 WeakPolarHBondContact CB-O 3.27Å; G91-V125 PolarHBondContact N-O 3.13Å; G91-V125 PolarHBondContact O-N 3.11Å; F93-V125 HydrophobicContact CD2-CG2 3.92Å; F93-V125 HydrophobicContact CE2-CB 4.1Å; F93-V125 HydrophobicContact CE2-CG2 3.62Å |
| 126 | D | 91.9 | Very high | 79.1 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | trans | -68.7 | 145.6 | -180 | -73.6 | -18.2 | 0 | 0 | 0 | 111.9 | R22 I23 L149 | R22-D126 IonicContact CZ-OD1 2.77Å; R22-D126 IonicContact CZ-OD2 2.72Å; R22-D126 IonicContact NE-OD1 3.22Å; R22-D126 PolarHBondContact NE-OD1 3.3Å; R22-D126 IonicContact NE-OD2 3.72Å; R22-D126 VanDerWaalsContact NH2-CG 3.28Å; R22-D126 IonicContact NH2-OD1 3.21Å; R22-D126 PolarHBondContact NH2-OD1 2.78Å; R22-D126 VanDerWaalsContact NH2-OD1 3.12Å; R22-D126 IonicContact NH2-OD2 3.3Å; R22-D126 PolarHBondContact NH2-OD2 3.47Å; I23-D126 PolarHBondContact O-N 3.4Å; D126-L149 HydrophobicContact CB-CD1 3.92Å | ||
| 127 | P | 91.6 | Very high | 76.9 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | trans | -75.7 | 155.3 | 170.3 | 33.1 | -34.7 | 0 | 0 | 0 | 111.6 | C90 F129 L149 N584 Y586 | C90-P127 HydrophobicContact CB-CB 4.31Å; P127-F129 HydrophobicContact CB-CE1 4.41Å; P127-F129 HydrophobicContact CB-CZ 4.37Å; P127-F129 HydrophobicContact CG-CZ 4.06Å; P127-L149 HydrophobicContact CG-CD2 3.71Å; P127-L149 HydrophobicContact CG-CG 4.31Å; P127-N584 WeakPolarHBondContact CA-OD1 3.37Å; P127-N584 WeakPolarHBondContact CB-OD1 3.38Å; P127-Y586 HydrophobicContact CG-CD2 4.05Å | ||
| 128 | D | 86.5 | Confident | 74.6 | Confident | 69 Ų | 69 | 46.4 Ų | 46.4 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | trans | -122 | 149.2 | 171.9 | 58.5 | -12.7 | 0 | 0 | 0 | 110.2 | K25 N584 | K25-D128 WeakPolarHBondContact CE-OD1 3.41Å; K25-D128 IonicContact NZ-OD1 3.85Å; K25-D128 PolarHBondContact NZ-OD1 3.48Å; D128-N584 PolarHBondContact O-ND2 2.66Å; D128-N584 PolarHBondContact OD1-ND2 2.97Å; D128-N584 PolarHBondContact OD1-OD1 2.93Å | ||
| 129 | F | 87.5 | Confident | 71.8 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.035 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141.4 | -173.7 | -52.6 | -67.8 | 0 | 0 | 0 | 111.7 | P127 N146 W147 L149 V152 L238 Y586 | P127-F129 HydrophobicContact CB-CE1 4.41Å; P127-F129 HydrophobicContact CB-CZ 4.37Å; P127-F129 HydrophobicContact CG-CZ 4.06Å; F129-N146 CarbonylContact O-C 3.49Å; F129-N146 WeakPolarHBondContact O-CA 3.21Å; F129-W147 WeakPolarHBondContact CA-O 3.39Å; F129-W147 HydrophobicContact CB-CD2 3.94Å; F129-W147 HydrophobicContact CB-CG 4.1Å; F129-W147 HydrophobicContact CB-CZ2 4.12Å; F129-W147 WeakPolarHBondContact CB-O 3.42Å; F129-W147 AromaticContact CD2-CD1 3.51Å; F129-W147 HydrophobicContact CD2-CG 4.4Å; F129-W147 AromaticContact CD2-NE1 3.49Å; F129-W147 AromaticContact CG-NE1 3.69Å; F129-W147 PolarHBondContact N-O 2.68Å; F129-W147 PolarHBondContact O-N 2.81Å; F129-L149 HydrophobicContact CE2-CD2 4Å; F129-L149 HydrophobicContact CZ-CD2 4.05Å; F129-V152 HydrophobicContact CD2-CG2 4.03Å; F129-V152 HydrophobicContact CE2-CG2 3.56Å; F129-V152 HydrophobicContact CZ-CG2 4.29Å; F129-L238 HydrophobicContact CB-CD1 4.01Å; F129-L238 HydrophobicContact CD1-CD1 3.8Å; F129-L238 HydrophobicContact CG-CD1 4.16Å; F129-Y586 HydrophobicContact CE1-CD1 4.35Å; F129-Y586 HydrophobicContact CE1-CG 4.11Å; F129-Y586 AromaticContact CZ-CD1 3.83Å; F129-Y586 HydrophobicContact CZ-CD1 3.83Å; F129-Y586 HydrophobicContact CZ-CD2 4.07Å; F129-Y586 HydrophobicContact CZ-CE1 4.45Å; F129-Y586 AromaticContact CZ-CG 3.63Å; F129-Y586 HydrophobicContact CZ-CG 3.63Å |
| 130 | T | 75.2 | Confident | 68.9 | Low | 69 Ų | 69 | 53.8 Ų | 53.8 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 113.9 | 171.4 | -62.1 | 0 | 0 | 0 | 0 | 108.7 | N146 | T130-N146 VanDerWaalsContact CB-OD1 3.25Å; T130-N146 WeakPolarHBondContact CB-OD1 3.33Å; T130-N146 WeakPolarHBondContact CG2-OD1 3.46Å; T130-N146 PolarHBondContact OG1-OD1 3.19Å |
| 131 | G | 65.9 | Low | 66.1 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 143 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G144 K145 | G131-G144 CarbonylContact O-C 3.42Å; G131-G144 WeakPolarHBondContact O-CA 3.49Å; G131-K145 PolarHBondContact N-O 3.28Å; G131-K145 PolarHBondContact O-N 3.19Å |
| 132 | K | 56.1 | Low | 63.5 | Low | 103 Ų | 103 | 64 Ų | 64 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.7 | 172.2 | -69.1 | 177.6 | -175 | 168.6 | 0 | 108.9 | I142 N233 | K132-I142 HydrophobicContact CB-CG2 4.36Å; K132-I142 HydrophobicContact CG-CG2 4.47Å; K132-N233 CarbonylContact O-C 3.42Å |
| 133 | Q | 51.7 | Low | 61.1 | Low | 89 Ų | 89 | 72.5 Ų | 72.5 | 42% | 0.416 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 116 | 168.3 | -162.1 | 174.4 | 8 | 0 | 0 | 108.8 | V135 A236 | Q133-V135 PolarHBondContact O-N 3.47Å; Q133-A236 HydrophobicContact CB-CB 4.15Å |
| 134 | V | 44.3 | Very low | 59.2 | Low | 75 Ų | 75 | 74.4 Ų | 74.4 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | trans | -75.2 | 100.7 | 164.8 | -178 | 0 | 0 | 0 | 0 | 107 | T136 | V134-T136 HydrophobicContact CG1-CG2 4.47Å; V134-T136 PolarHBondContact O-N 3.42Å | ||
| 135 | V | 45.1 | Very low | 57.9 | Low | 62 Ų | 62 | 78.1 Ų | 78.1 | 38% | 0.376 | 44% | 0.443 | S | S | . | . | trans | -73.7 | 110.1 | 170.4 | -175.9 | 0 | 0 | 0 | 0 | 106.9 | Q133 E137 | Q133-V135 PolarHBondContact O-N 3.47Å; V135-E137 HydrophobicContact CG1-CB 3.97Å; V135-E137 HydrophobicContact CG1-CG 4.42Å; V135-E137 PolarHBondContact O-N 3.15Å; V135-E137 VanDerWaalsContact O-N 3.14Å | ||
| 136 | T | 38.4 | Very low | 57.2 | Low | 136 Ų | 136 | 83.2 Ų | 83.2 | 83% | 0.834 | 47% | 0.47 | S | S | * | . | trans | -76.6 | 17.2 | 176.7 | 41.5 | 0 | 0 | 0 | 0 | 113.7 | V134 | V134-T136 HydrophobicContact CG1-CG2 4.47Å; V134-T136 PolarHBondContact O-N 3.42Å | ||
| 137 | E | 35.4 | Very low | 56.8 | Low | 148 Ų | 148 | 83.3 Ų | 83.3 | 69% | 0.692 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -97.9 | 93.5 | 174.8 | -66.9 | -175.4 | 179.1 | 0 | 0 | 110.9 | V135 S139 | V135-E137 HydrophobicContact CG1-CB 3.97Å; V135-E137 HydrophobicContact CG1-CG 4.42Å; V135-E137 PolarHBondContact O-N 3.15Å; V135-E137 VanDerWaalsContact O-N 3.14Å; E137-S139 PolarHBondContact O-N 3.14Å |
| 138 | S | 42.1 | Very low | 56.6 | Low | 139 Ų | 139 | 86 Ų | 86 | 97% | 0.972 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 38.1 | 0.6 | 158.3 | 54.7 | 0 | 0 | 0 | 0 | 122.4 | ||
| 139 | S | 33.9 | Very low | 56.8 | Low | 79 Ų | 79 | 82.9 Ų | 82.9 | 55% | 0.552 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -132.4 | 110.1 | 167.8 | 64.1 | 0 | 0 | 0 | 0 | 108.1 | E137 N141 | E137-S139 PolarHBondContact O-N 3.14Å; S139-N141 PolarHBondContact O-N 2.87Å |
| 140 | G | 33.4 | Very low | 56.9 | Low | 81 Ų | 81 | 83.5 Ų | 83.5 | 84% | 0.835 | 47% | 0.471 | S | S | * | . | trans | -68.1 | 34.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | I142 | G140-I142 PolarHBondContact O-N 3.46Š| ||
| 141 | N | 35.8 | Very low | 57.7 | Low | 121 Ų | 121 | 80.3 Ų | 80.3 | 65% | 0.647 | 45% | 0.452 | S | S | * | . | trans | -81.8 | 104.7 | 171.9 | -78.5 | -22 | 0 | 0 | 0 | 109.5 | S139 R143 | S139-N141 PolarHBondContact O-N 2.87Å; N141-R143 PolarHBondContact O-N 3.39Å | ||
| 142 | I | 38.5 | Very low | 59 | Low | 110 Ų | 110 | 80.3 Ų | 80.3 | 56% | 0.564 | 45% | 0.452 | S | S | * | . | trans | -63.9 | 100.8 | 164.6 | -57.5 | 170.8 | 0 | 0 | 0 | 107 | K132 G140 G144 | K132-I142 HydrophobicContact CB-CG2 4.36Å; K132-I142 HydrophobicContact CG-CG2 4.47Å; G140-I142 PolarHBondContact O-N 3.46Å; I142-G144 PolarHBondContact O-N 3.05Å | ||
| 143 | R | 46.3 | Very low | 60.9 | Low | 202 Ų | 202 | 75.4 Ų | 75.4 | 76% | 0.762 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 104.5 | 166.8 | -78.9 | -170.9 | 176.4 | -172.5 | 0.5 | 107.7 | N141 | N141-R143 PolarHBondContact O-N 3.39Å |
| 144 | G | 54.7 | Low | 63.1 | Low | 40 Ų | 40 | 71.1 Ų | 71.1 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 130.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | G131 I142 | G131-G144 CarbonylContact O-C 3.42Å; G131-G144 WeakPolarHBondContact O-CA 3.49Å; I142-G144 PolarHBondContact O-N 3.05Å |
| 145 | K | 68.5 | Low | 65.6 | Low | 82 Ų | 82 | 67.6 Ų | 67.6 | 36% | 0.357 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.7 | 170.7 | -168.6 | 178.8 | -176.9 | -178.9 | 0 | 107.2 | G131 W147 | G131-K145 PolarHBondContact N-O 3.28Å; G131-K145 PolarHBondContact O-N 3.19Å; K145-W147 HydrophobicContact CB-CE3 4.38Å; K145-W147 HydrophobicContact CB-CZ3 4.21Å; K145-W147 HydrophobicContact CG-CE3 4.18Å; K145-W147 HydrophobicContact CG-CZ3 4.4Å; K145-W147 VanDerWaalsContact O-CE3 3.28Å; K145-W147 VanDerWaalsContact O-CZ3 3.22Å; K145-W147 WeakPolarHBondContact O-CZ3 3.32Å |
| 146 | N | 77.7 | Confident | 68.1 | Low | 108 Ų | 108 | 64.6 Ų | 64.6 | 58% | 0.578 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 141 | 175.3 | -66.7 | -14.4 | 0 | 0 | 0 | 109.8 | F129 T130 | F129-N146 CarbonylContact O-C 3.49Å; F129-N146 WeakPolarHBondContact O-CA 3.21Å; T130-N146 VanDerWaalsContact CB-OD1 3.25Å; T130-N146 WeakPolarHBondContact CB-OD1 3.33Å; T130-N146 WeakPolarHBondContact CG2-OD1 3.46Å; T130-N146 PolarHBondContact OG1-OD1 3.19Å |
| 147 | W | 85.3 | Confident | 70.9 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 157.1 | 171 | 62.5 | 95.2 | 0 | 0 | 0 | 110.3 | F129 K145 N181 L238 | F129-W147 WeakPolarHBondContact CA-O 3.39Å; F129-W147 HydrophobicContact CB-CD2 3.94Å; F129-W147 HydrophobicContact CB-CG 4.1Å; F129-W147 HydrophobicContact CB-CZ2 4.12Å; F129-W147 WeakPolarHBondContact CB-O 3.42Å; F129-W147 AromaticContact CD2-CD1 3.51Å; F129-W147 HydrophobicContact CD2-CG 4.4Å; F129-W147 AromaticContact CD2-NE1 3.49Å; F129-W147 AromaticContact CG-NE1 3.69Å; F129-W147 PolarHBondContact N-O 2.68Å; F129-W147 PolarHBondContact O-N 2.81Å; K145-W147 HydrophobicContact CB-CE3 4.38Å; K145-W147 HydrophobicContact CB-CZ3 4.21Å; K145-W147 HydrophobicContact CG-CE3 4.18Å; K145-W147 HydrophobicContact CG-CZ3 4.4Å; K145-W147 VanDerWaalsContact O-CE3 3.28Å; K145-W147 VanDerWaalsContact O-CZ3 3.22Å; K145-W147 WeakPolarHBondContact O-CZ3 3.32Å; W147-N181 HydrophobicContact CH2-CB 4.25Å; W147-N181 HydrophobicContact CZ2-CB 4.03Å; W147-L238 HydrophobicContact CH2-CD1 4.38Å; W147-L238 HydrophobicContact CH2-CG 4.17Å; W147-L238 HydrophobicContact CZ2-CD1 3.76Å; W147-L238 HydrophobicContact CZ2-CG 3.84Å |
| 148 | D | 87.1 | Confident | 73.8 | Confident | 60 Ų | 60 | 51.1 Ų | 51.1 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | trans | -98.8 | -170.5 | 173.6 | 68 | 6.1 | 0 | 0 | 0 | 110.8 | K24 S150 G151 | K24-D148 IonicContact NZ-OD2 3.97Å; D148-S150 VanDerWaalsContact C-N 3.26Å; D148-S150 PolarHBondContact O-N 3.47Å; D148-S150 PolarHBondContact OD1-N 3.22Å; D148-S150 VanDerWaalsContact OD1-N 3.09Å; D148-G151 PolarHBondContact O-N 3.31Å; D148-G151 PolarHBondContact OD1-N 3.43Å | ||
| 149 | L | 90.5 | Very high | 76.4 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -53.6 | -40.4 | 178.4 | -71.5 | 177.8 | 0 | 0 | 0 | 113.5 | R22 D126 P127 F129 G151 V152 Y586 A690 | R22-L149 VanDerWaalsContact NH2-CD1 3.32Å; D126-L149 HydrophobicContact CB-CD1 3.92Å; P127-L149 HydrophobicContact CG-CD2 3.71Å; P127-L149 HydrophobicContact CG-CG 4.31Å; F129-L149 HydrophobicContact CE2-CD2 4Å; F129-L149 HydrophobicContact CZ-CD2 4.05Å; L149-G151 PolarHBondContact O-N 3.19Å; L149-V152 PolarHBondContact O-N 2.87Å; L149-Y586 HydrophobicContact CD2-CD2 3.58Å; L149-Y586 HydrophobicContact CD2-CE2 3.24Å; L149-A690 WeakPolarHBondContact O-CB 3.46Å |
| 150 | S | 89.1 | Confident | 79.3 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -74.4 | -9.1 | -179.1 | -62.2 | 0 | 0 | 0 | 0 | 112.8 | D148 C688 H738 S742 | D148-S150 VanDerWaalsContact C-N 3.26Å; D148-S150 PolarHBondContact O-N 3.47Å; D148-S150 PolarHBondContact OD1-N 3.22Å; D148-S150 VanDerWaalsContact OD1-N 3.09Å; S150-C688 PolarHBondContact OG-O 2.95Å; S150-H738 PolarHBondContact O-NE2 2.96Å; S150-S742 WeakPolarHBondContact O-CB 3.27Å; S150-S742 PolarHBondContact O-OG 3.47Å |
| 151 | G | 91.4 | Very high | 82.3 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -95.5 | 1.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D148 L149 V153 N181 S742 | D148-G151 PolarHBondContact O-N 3.31Å; D148-G151 PolarHBondContact OD1-N 3.43Å; L149-G151 PolarHBondContact O-N 3.19Å; G151-V153 PolarHBondContact O-N 3.01Å; G151-N181 PolarHBondContact O-ND2 2.94Å; G151-S742 VanDerWaalsContact CA-OG 3.29Å; G151-S742 WeakPolarHBondContact CA-OG 3.38Å; G151-S742 PolarHBondContact N-OG 3.12Å; G151-S742 VanDerWaalsContact N-OG 3.17Å |
| 152 | V | 94.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -73.8 | 125.8 | -179.8 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | F129 L149 L154 M182 Y586 A690 I691 | F129-V152 HydrophobicContact CD2-CG2 4.03Å; F129-V152 HydrophobicContact CE2-CG2 3.56Å; F129-V152 HydrophobicContact CZ-CG2 4.29Å; L149-V152 PolarHBondContact O-N 2.87Å; V152-L154 HydrophobicContact CG1-CB 4.33Å; V152-L154 HydrophobicContact CG1-CD2 4.24Å; V152-M182 HydrophobicContact CG1-CB 4.41Å; V152-M182 HydrophobicContact CG1-CE 4.27Å; V152-M182 HydrophobicContact CG1-SD 4.06Å; V152-M182 HydrophobicContact CG2-CE 4.46Å; V152-Y586 HydrophobicContact CG1-CE1 4.43Å; V152-Y586 HydrophobicContact CG2-CE1 4.38Å; V152-A690 HydrophobicContact CB-CB 3.71Å; V152-A690 HydrophobicContact CG1-CB 4.12Å; V152-A690 WeakPolarHBondContact O-CA 3.23Å; V152-I691 PolarHBondContact O-N 3.25Å | ||
| 153 | V | 96.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 99.5 | 175.4 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | G151 Y180 N181 M182 I691 N735 H738 S739 | G151-V153 PolarHBondContact O-N 3.01Å; V153-Y180 HydrophobicContact CG1-CD1 3.7Å; V153-Y180 HydrophobicContact CG1-CE1 4.22Å; V153-Y180 HydrophobicContact CG1-CG 4.39Å; V153-N181 PolarHBondContact N-OD1 3.31Å; V153-N181 PolarHBondContact O-N 2.88Å; V153-N181 PolarHBondContact O-OD1 3.13Å; V153-M182 PolarHBondContact O-N 3.39Å; V153-I691 HydrophobicContact CB-CD1 4.47Å; V153-I691 HydrophobicContact CB-CG1 4.19Å; V153-I691 HydrophobicContact CG1-CD1 3.92Å; V153-I691 HydrophobicContact CG1-CG1 4Å; V153-I691 HydrophobicContact CG2-CD1 4.03Å; V153-I691 HydrophobicContact CG2-CG1 3.92Å; V153-N735 HydrophobicContact CG1-CB 3.81Å; V153-N735 VanDerWaalsContact CG1-CG 3.48Å; V153-H738 VanDerWaalsContact CG2-CD2 3.41Å; V153-H738 WeakPolarHBondContact CG2-CD2 3.4Å; V153-S739 WeakPolarHBondContact CG2-OG 3.2Å |
| 154 | L | 96.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 150.9 | -171 | 72.7 | 79.9 | 0 | 0 | 0 | 113.8 | V152 Y180 M182 H184 M240 V657 Y659 I691 G692 S693 | V152-L154 HydrophobicContact CG1-CB 4.33Å; V152-L154 HydrophobicContact CG1-CD2 4.24Å; L154-Y180 VanDerWaalsContact C-CD1 3.49Å; L154-Y180 WeakPolarHBondContact O-CD1 3.49Å; L154-Y180 WeakPolarHBondContact O-CE1 3.39Å; L154-M182 VanDerWaalsContact CA-O 3.25Å; L154-M182 WeakPolarHBondContact CA-O 3.28Å; L154-M182 HydrophobicContact CB-CB 3.93Å; L154-M182 HydrophobicContact CB-CG 4.3Å; L154-H184 HydrophobicContact CD1-CB 4.43Å; L154-M240 HydrophobicContact CD2-CE 4.18Å; L154-V657 HydrophobicContact CD2-CG1 3.64Å; L154-V657 HydrophobicContact CG-CG1 4.24Å; L154-Y659 HydrophobicContact CD1-CE1 3.72Å; L154-Y659 HydrophobicContact CD1-CE2 4.28Å; L154-Y659 VanDerWaalsContact CD1-CZ 3.48Å; L154-Y659 WeakPolarHBondContact CD1-OH 3.24Å; L154-I691 PolarHBondContact N-O 3.16Å; L154-G692 CarbonylContact O-C 3.59Å; L154-G692 WeakPolarHBondContact O-CA 3.31Å; L154-S693 PolarHBondContact O-N 2.68Å |
| 155 | Q | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.9 | 168.8 | -169.9 | 171 | 56.1 | 0 | 0 | 110.9 | Y157 Y180 M182 H184 S693 D698 | Q155-Y157 HydrophobicContact CB-CE2 4.02Å; Q155-Y157 HydrophobicContact CG-CD2 4.33Å; Q155-Y157 HydrophobicContact CG-CE2 3.67Å; Q155-Y157 VanDerWaalsContact OE1-CE2 3.31Å; Q155-Y157 VanDerWaalsContact OE1-CZ 3.31Å; Q155-Y157 PolarHBondContact OE1-OH 2.81Å; Q155-Y180 HydrophobicContact CB-CD1 3.7Å; Q155-Y180 HydrophobicContact CB-CD2 4.28Å; Q155-Y180 HydrophobicContact CB-CE1 3.72Å; Q155-Y180 HydrophobicContact CB-CE2 4.28Å; Q155-Y180 HydrophobicContact CB-CG 4Å; Q155-Y180 HydrophobicContact CG-CE1 4.36Å; Q155-Y180 HydrophobicContact CG-CE2 4.48Å; Q155-Y180 PolarHBondContact NE2-OH 3.1Å; Q155-M182 PolarHBondContact N-O 3Å; Q155-M182 VanDerWaalsContact N-O 3.11Å; Q155-H184 PolarHBondContact O-N 2.76Å; Q155-S693 CarbonylContact C-O 3.6Å; Q155-S693 WeakPolarHBondContact CA-O 3.29Å; Q155-D698 PolarHBondContact NE2-OD2 2.85Å |
| 156 | S | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 138.3 | 178.2 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | H184 Y659 S693 R695 | S156-H184 CarbonylContact C-O 3.6Å; S156-H184 VanDerWaalsContact CA-O 3.27Å; S156-H184 WeakPolarHBondContact CA-O 3.47Å; S156-H184 PolarHBondContact OG-ND1 2.96Å; S156-Y659 PolarHBondContact OG-OH 3.49Å; S156-S693 PolarHBondContact N-O 3.07Å; S156-R695 WeakPolarHBondContact O-CB 3.45Å; S156-R695 PolarHBondContact O-N 2.81Å |
| 157 | Y | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.9 | 176.8 | -75 | -105.9 | 0 | 0 | 0 | 109.5 | Q155 S159 L162 L172 T174 V175 I183 H184 T186 R695 Y714 | Q155-Y157 HydrophobicContact CB-CE2 4.02Å; Q155-Y157 HydrophobicContact CG-CD2 4.33Å; Q155-Y157 HydrophobicContact CG-CE2 3.67Å; Q155-Y157 VanDerWaalsContact OE1-CE2 3.31Å; Q155-Y157 VanDerWaalsContact OE1-CZ 3.31Å; Q155-Y157 PolarHBondContact OE1-OH 2.81Å; Y157-S159 PolarHBondContact O-N 3.26Å; Y157-L162 HydrophobicContact CD1-CD2 3.73Å; Y157-L162 HydrophobicContact CE1-CD2 4.29Å; Y157-L172 HydrophobicContact CD1-CD2 3.82Å; Y157-L172 HydrophobicContact CD2-CD2 4.09Å; Y157-L172 HydrophobicContact CE1-CD2 3.66Å; Y157-L172 HydrophobicContact CE2-CD2 3.98Å; Y157-L172 HydrophobicContact CG-CD2 4.04Å; Y157-T174 PolarHBondContact OH-OG1 3.39Å; Y157-V175 HydrophobicContact CE2-CG2 3.62Å; Y157-V175 WeakPolarHBondContact OH-CG2 3.5Å; Y157-I183 HydrophobicContact CD2-CG2 3.83Å; Y157-I183 HydrophobicContact CE2-CG2 4.25Å; Y157-H184 PolarHBondContact N-O 3.28Å; Y157-T186 WeakPolarHBondContact O-CG2 3.2Å; Y157-T186 PolarHBondContact O-N 2.93Å; Y157-T186 PolarHBondContact O-OG1 2.98Å; Y157-R695 HydrophobicContact CD1-CB 3.86Å; Y157-R695 HydrophobicContact CD1-CG 3.81Å; Y157-R695 HydrophobicContact CD2-CB 4.35Å; Y157-R695 HydrophobicContact CE1-CB 3.81Å; Y157-R695 HydrophobicContact CE1-CG 3.43Å; Y157-R695 VanDerWaalsContact CE1-CG 3.43Å; Y157-R695 HydrophobicContact CE2-CB 4.28Å; Y157-R695 HydrophobicContact CG-CB 4.13Å; Y157-R695 WeakPolarHBondContact OH-CD 3.07Å; Y157-R695 PolarHBondContact OH-NE 2.82Å; Y157-Y714 AromaticContact CD1-CD2 3.77Å; Y157-Y714 HydrophobicContact CD1-CD2 3.77Å; Y157-Y714 AromaticContact CD1-CE2 3.77Å; Y157-Y714 HydrophobicContact CD1-CE2 3.77Å; Y157-Y714 HydrophobicContact CD1-CG 4.48Å; Y157-Y714 HydrophobicContact CE1-CD2 4.42Å; Y157-Y714 HydrophobicContact CG-CE2 4.37Å |
| 158 | L | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | trans | -65.6 | 105.3 | 161.8 | -61.7 | -174.8 | 0 | 0 | 0 | 108.2 | K160 N161 T186 A197 H663 I705 V707 Y714 | L158-K160 PolarHBondContact O-N 2.53Å; L158-K160 VanDerWaalsContact O-N 3.16Å; L158-N161 HydrophobicContact CB-CB 4.24Å; L158-N161 WeakPolarHBondContact CB-OD1 3.43Å; L158-N161 WeakPolarHBondContact O-CB 3.25Å; L158-N161 PolarHBondContact O-N 2.72Å; L158-T186 WeakPolarHBondContact CA-OG1 3.49Å; L158-T186 HydrophobicContact CD2-CG2 3.72Å; L158-A197 HydrophobicContact CD2-CB 4.42Å; L158-H663 HydrophobicContact CD2-CB 4.35Å; L158-I705 HydrophobicContact CD1-CG2 3.77Å; L158-V707 HydrophobicContact CD2-CG1 4.1Å; L158-Y714 HydrophobicContact CB-CE2 4.34Å; L158-Y714 PolarHBondContact N-OH 3.31Å; L158-Y714 VanDerWaalsContact N-OH 3.08Å; L158-Y714 WeakPolarHBondContact O-CE2 3.36Å | ||
| 159 | S | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -57.5 | -35.9 | -171.5 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | Y157 N161 L162 F185 T186 L188 F210 | Y157-S159 PolarHBondContact O-N 3.26Å; S159-N161 PolarHBondContact O-N 2.97Å; S159-L162 WeakPolarHBondContact O-CB 3.33Å; S159-L162 PolarHBondContact O-N 3.25Å; S159-L162 VanDerWaalsContact O-N 3.09Å; S159-F185 WeakPolarHBondContact OG-CB 3.43Å; S159-T186 WeakPolarHBondContact CB-O 3.18Å; S159-T186 PolarHBondContact N-OG1 3.3Å; S159-T186 PolarHBondContact OG-N 3.4Å; S159-T186 PolarHBondContact OG-O 3.01Å; S159-L188 WeakPolarHBondContact OG-CD2 3.07Å; S159-F210 VanDerWaalsContact O-CE1 3.28Å; S159-F210 WeakPolarHBondContact O-CE1 3.49Å |
| 160 | K | 95.1 | Very high | 95.4 | Very high | 10 Ų | 10 | 17.2 Ų | 17.2 | 4% | 0.043 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -59.5 | -30.1 | 175.4 | 74.4 | 177.8 | -178.2 | 172.5 | 0 | 113.3 | L158 L162 L191 R195 V707 V708 E710 | L158-K160 PolarHBondContact O-N 2.53Å; L158-K160 VanDerWaalsContact O-N 3.16Å; K160-L162 VanDerWaalsContact C-N 3.32Å; K160-L191 HydrophobicContact CB-CD1 4.04Å; K160-L191 HydrophobicContact CD-CD1 4.06Å; K160-R195 WeakPolarHBondContact CD-O 3.39Å; K160-R195 PolarHBondContact NZ-O 2.62Å; K160-V707 VanDerWaalsContact CE-O 3.32Å; K160-V707 WeakPolarHBondContact CE-O 3.18Å; K160-V707 PolarHBondContact NZ-O 2.88Å; K160-V708 PolarHBondContact NZ-O 3.01Å; K160-E710 WeakPolarHBondContact CE-O 3.36Å |
| 161 | N | 96 | Very high | 95.8 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -84.6 | -3.6 | -179 | -60.5 | 80.5 | 0 | 0 | 0 | 112.6 | L158 S159 E710 R712 F713 Y714 I829 | L158-N161 HydrophobicContact CB-CB 4.24Å; L158-N161 WeakPolarHBondContact CB-OD1 3.43Å; L158-N161 WeakPolarHBondContact O-CB 3.25Å; L158-N161 PolarHBondContact O-N 2.72Å; S159-N161 PolarHBondContact O-N 2.97Å; N161-E710 PolarHBondContact ND2-O 3.31Å; N161-R712 PolarHBondContact ND2-O 2.94Å; N161-F713 CarbonylContact O-C 3.58Å; N161-F713 WeakPolarHBondContact O-CA 3.48Å; N161-Y714 HydrophobicContact CB-CD2 3.78Å; N161-Y714 HydrophobicContact CB-CE2 3.65Å; N161-Y714 HydrophobicContact CB-CG 4.39Å; N161-Y714 PolarHBondContact O-N 3.26Å; N161-I829 HydrophobicContact CB-CD1 4.49Å |
| 162 | L | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -72.3 | -19.2 | 168.3 | -69.2 | 169 | 0 | 0 | 0 | 112.4 | Y157 S159 K160 W168 R171 L172 F185 Y714 | Y157-L162 HydrophobicContact CD1-CD2 3.73Å; Y157-L162 HydrophobicContact CE1-CD2 4.29Å; S159-L162 WeakPolarHBondContact O-CB 3.33Å; S159-L162 PolarHBondContact O-N 3.25Å; S159-L162 VanDerWaalsContact O-N 3.09Å; K160-L162 VanDerWaalsContact C-N 3.32Å; L162-W168 HydrophobicContact CB-CD2 4.4Å; L162-W168 HydrophobicContact CB-CG 4.22Å; L162-W168 HydrophobicContact CD1-CD2 4.17Å; L162-W168 HydrophobicContact CD1-CE3 4.48Å; L162-W168 HydrophobicContact CD1-CZ2 4.48Å; L162-R171 HydrophobicContact CD2-CB 4.07Å; L162-R171 WeakPolarHBondContact O-CD 3.24Å; L162-R171 PolarHBondContact O-NE 3Å; L162-L172 HydrophobicContact CD2-CD2 3.85Å; L162-L172 HydrophobicContact CD2-CG 4.08Å; L162-F185 HydrophobicContact CD1-CD1 3.96Å; L162-F185 HydrophobicContact CD1-CE1 3.81Å; L162-Y714 HydrophobicContact CD2-CD2 4.26Å |
| 163 | G | 94.4 | Very high | 96 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | trans | 68 | -146.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | W168 F210 F713 | G163-W168 PolarHBondContact O-NE1 2.76Å; G163-F210 WeakPolarHBondContact O-CD1 3.36Å; G163-F713 VanDerWaalsContact CA-CD1 3.49Å | ||
| 164 | I | 95.9 | Very high | 95.8 | Very high | 44 Ų | 44 | 18.6 Ų | 18.6 | 23% | 0.226 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -69.2 | 139.5 | -174 | 63 | 173.6 | 0 | 0 | 0 | 111.8 | P166 E167 W168 F210 P212 | I164-P166 VanDerWaalsContact C-CD 3.43Å; I164-E167 HydrophobicContact CD1-CG 4.16Å; I164-E167 HydrophobicContact CG1-CB 4.31Å; I164-E167 HydrophobicContact CG1-CG 3.81Å; I164-E167 PolarHBondContact O-N 3.5Å; I164-W168 VanDerWaalsContact O-CD1 3.28Å; I164-F210 CarbonylContact C-O 3.33Å; I164-F210 WeakPolarHBondContact CA-O 3.47Å; I164-P212 HydrophobicContact CB-CG 4.38Å; I164-P212 HydrophobicContact CD1-CB 4.46Å |
| 165 | F | 96.4 | Very high | 95.7 | Very high | 40 Ų | 40 | 18.6 Ų | 18.6 | 18% | 0.175 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -51.8 | -40.5 | -172.6 | -175.7 | -111.1 | 0 | 0 | 0 | 115 | E167 W168 F210 V219 D223 I224 F227 | F165-E167 PolarHBondContact O-N 2.97Å; F165-E167 VanDerWaalsContact O-N 3.11Å; F165-W168 AromaticContact CD2-CD2 3.72Å; F165-W168 HydrophobicContact CD2-CD2 3.72Å; F165-W168 AromaticContact CD2-CE3 3.65Å; F165-W168 HydrophobicContact CD2-CE3 3.65Å; F165-W168 HydrophobicContact CD2-CG 4.29Å; F165-W168 HydrophobicContact CD2-CH2 4.13Å; F165-W168 HydrophobicContact CD2-CZ2 4.25Å; F165-W168 AromaticContact CD2-CZ3 3.86Å; F165-W168 HydrophobicContact CD2-CZ3 3.86Å; F165-W168 HydrophobicContact CE2-CD2 4.32Å; F165-W168 AromaticContact CE2-CE3 3.79Å; F165-W168 HydrophobicContact CE2-CE3 3.79Å; F165-W168 AromaticContact CE2-CZ3 3.92Å; F165-W168 HydrophobicContact CE2-CZ3 3.92Å; F165-W168 WeakPolarHBondContact O-CB 3.16Å; F165-W168 PolarHBondContact O-N 2.59Å; F165-W168 VanDerWaalsContact O-N 3.1Å; F165-F210 HydrophobicContact CB-CB 4.43Å; F165-F210 WeakPolarHBondContact CB-O 3.33Å; F165-F210 PolarHBondContact N-O 2.99Å; F165-V219 HydrophobicContact CB-CB 4.43Å; F165-V219 HydrophobicContact CB-CG1 4.04Å; F165-V219 HydrophobicContact CB-CG2 3.58Å; F165-V219 HydrophobicContact CD1-CG1 4.15Å; F165-V219 HydrophobicContact CD1-CG2 4.12Å; F165-V219 HydrophobicContact CD2-CG1 4Å; F165-V219 HydrophobicContact CE2-CG1 4.49Å; F165-V219 HydrophobicContact CG-CG1 3.81Å; F165-V219 HydrophobicContact CG-CG2 4.01Å; F165-D223 HydrophobicContact CE1-CB 3.88Å; F165-D223 HydrophobicContact CZ-CB 3.96Å; F165-I224 HydrophobicContact CD2-CD1 4.04Å; F165-I224 HydrophobicContact CE2-CD1 3.69Å; F165-F227 HydrophobicContact CE2-CB 4.09Å; F165-F227 HydrophobicContact CE2-CG 4.23Å; F165-F227 HydrophobicContact CZ-CB 3.89Å; F165-F227 HydrophobicContact CZ-CG 4.3Å |
| 166 | P | 94.4 | Very high | 95.1 | Very high | 92 Ų | 92 | 24.9 Ų | 24.9 | 60% | 0.597 | 12% | 0.122 | S | C | * | . | G | 310 helix | trans | -62 | -19.5 | 176.8 | -25 | 36.4 | 0 | 0 | 0 | 114.9 | I164 P212 | I164-P166 VanDerWaalsContact C-CD 3.43Å; P166-P212 HydrophobicContact CG-CG 3.71Å |
| 167 | E | 95 | Very high | 94.8 | Very high | 42 Ų | 42 | 27.5 Ų | 27.5 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -93.2 | -8.3 | 178.9 | -64.1 | -171 | 138.4 | 0 | 0 | 113.2 | I164 F165 E169 S170 R171 R716 | I164-E167 HydrophobicContact CD1-CG 4.16Å; I164-E167 HydrophobicContact CG1-CB 4.31Å; I164-E167 HydrophobicContact CG1-CG 3.81Å; I164-E167 PolarHBondContact O-N 3.5Å; F165-E167 PolarHBondContact O-N 2.97Å; F165-E167 VanDerWaalsContact O-N 3.11Å; E167-E169 VanDerWaalsContact C-N 3.35Å; E167-E169 PolarHBondContact O-N 2.86Å; E167-S170 PolarHBondContact O-N 2.77Å; E167-S170 VanDerWaalsContact O-N 3.16Å; E167-S170 PolarHBondContact O-OG 3.2Å; E167-R171 WeakPolarHBondContact O-CG 3.46Å; E167-R171 PolarHBondContact O-N 2.99Å; E167-R171 VanDerWaalsContact O-N 3.14Å; E167-R171 IonicContact OE2-CZ 3.77Å; E167-R171 IonicContact OE2-NE 3.64Å; E167-R171 IonicContact OE2-NH2 2.95Å; E167-R171 PolarHBondContact OE2-NH2 2.88Å; E167-R716 IonicContact OE1-CZ 3.77Å; E167-R716 IonicContact OE1-NH1 2.79Å; E167-R716 PolarHBondContact OE1-NH1 3.13Å |
| 168 | W | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.8 | -44.9 | -175.2 | -77.7 | 20.2 | 0 | 0 | 0 | 112.7 | L162 G163 I164 F165 S170 R171 L172 L188 F210 I224 F227 | L162-W168 HydrophobicContact CB-CD2 4.4Å; L162-W168 HydrophobicContact CB-CG 4.22Å; L162-W168 HydrophobicContact CD1-CD2 4.17Å; L162-W168 HydrophobicContact CD1-CE3 4.48Å; L162-W168 HydrophobicContact CD1-CZ2 4.48Å; G163-W168 PolarHBondContact O-NE1 2.76Å; I164-W168 VanDerWaalsContact O-CD1 3.28Å; F165-W168 AromaticContact CD2-CD2 3.72Å; F165-W168 HydrophobicContact CD2-CD2 3.72Å; F165-W168 AromaticContact CD2-CE3 3.65Å; F165-W168 HydrophobicContact CD2-CE3 3.65Å; F165-W168 HydrophobicContact CD2-CG 4.29Å; F165-W168 HydrophobicContact CD2-CH2 4.13Å; F165-W168 HydrophobicContact CD2-CZ2 4.25Å; F165-W168 AromaticContact CD2-CZ3 3.86Å; F165-W168 HydrophobicContact CD2-CZ3 3.86Å; F165-W168 HydrophobicContact CE2-CD2 4.32Å; F165-W168 AromaticContact CE2-CE3 3.79Å; F165-W168 HydrophobicContact CE2-CE3 3.79Å; F165-W168 AromaticContact CE2-CZ3 3.92Å; F165-W168 HydrophobicContact CE2-CZ3 3.92Å; F165-W168 WeakPolarHBondContact O-CB 3.16Å; F165-W168 PolarHBondContact O-N 2.59Å; F165-W168 VanDerWaalsContact O-N 3.1Å; W168-S170 VanDerWaalsContact C-N 3.29Å; W168-S170 PolarHBondContact O-N 2.83Å; W168-R171 PolarHBondContact O-N 2.78Å; W168-L172 HydrophobicContact CB-CD1 4.35Å; W168-L172 WeakPolarHBondContact O-CB 3.36Å; W168-L172 VanDerWaalsContact O-CG 3.26Å; W168-L172 WeakPolarHBondContact O-CG 3.47Å; W168-L172 PolarHBondContact O-N 2.92Å; W168-L188 HydrophobicContact CH2-CD2 3.5Å; W168-L188 VanDerWaalsContact CH2-CD2 3.5Å; W168-L188 HydrophobicContact CZ2-CD2 4.26Å; W168-L188 HydrophobicContact CZ3-CD2 4.15Å; W168-F210 AromaticContact CH2-CD2 3.87Å; W168-F210 HydrophobicContact CH2-CD2 3.87Å; W168-F210 AromaticContact CH2-CE2 3.88Å; W168-F210 HydrophobicContact CH2-CE2 3.88Å; W168-F210 HydrophobicContact CH2-CG 4.35Å; W168-F210 HydrophobicContact CH2-CZ 4.37Å; W168-F210 HydrophobicContact CZ2-CB 4.19Å; W168-F210 AromaticContact CZ2-CD1 3.7Å; W168-F210 HydrophobicContact CZ2-CD1 3.7Å; W168-F210 AromaticContact CZ2-CD2 3.48Å; W168-F210 HydrophobicContact CZ2-CD2 3.48Å; W168-F210 VanDerWaalsContact CZ2-CD2 3.48Å; W168-F210 AromaticContact CZ2-CE1 3.84Å; W168-F210 HydrophobicContact CZ2-CE1 3.84Å; W168-F210 AromaticContact CZ2-CE2 3.63Å; W168-F210 HydrophobicContact CZ2-CE2 3.63Å; W168-F210 AromaticContact CZ2-CG 3.53Å; W168-F210 HydrophobicContact CZ2-CG 3.53Å; W168-F210 AromaticContact CZ2-CZ 3.82Å; W168-F210 HydrophobicContact CZ2-CZ 3.82Å; W168-I224 HydrophobicContact CH2-CD1 3.55Å; W168-I224 HydrophobicContact CZ3-CD1 3.59Å; W168-F227 HydrophobicContact CB-CZ 4.25Å; W168-F227 HydrophobicContact CE3-CD1 4.09Å; W168-F227 HydrophobicContact CE3-CE1 4.03Å |
| 169 | E | 95.4 | Very high | 94.4 | Very high | 79 Ų | 79 | 29.3 Ų | 29.3 | 37% | 0.369 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -56.9 | -45.1 | 179.1 | -167.3 | 176.7 | 163.8 | 0 | 0 | 111.3 | E167 R171 L172 H173 F227 H230 W235 | E167-E169 VanDerWaalsContact C-N 3.35Å; E167-E169 PolarHBondContact O-N 2.86Å; E169-R171 VanDerWaalsContact C-N 3.3Å; E169-R171 PolarHBondContact O-N 2.91Å; E169-L172 PolarHBondContact O-N 3.28Å; E169-H173 PolarHBondContact O-CD2 3.28Å; E169-H173 PolarHBondContact O-N 2.79Å; E169-H173 IonicContact OE1-CE1 3.21Å; E169-F227 HydrophobicContact CB-CE2 4.3Å; E169-H230 IonicContact OE1-NE2 3.63Å; E169-W235 HydrophobicContact CG-CH2 3.86Å; E169-W235 HydrophobicContact CG-CZ2 3.57Å |
| 170 | S | 95.5 | Very high | 94.4 | Very high | 28 Ų | 28 | 29.7 Ų | 29.7 | 20% | 0.196 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.1 | -32.6 | 177.8 | 75.8 | 0 | 0 | 0 | 0 | 113.1 | E167 W168 R716 W717 | E167-S170 PolarHBondContact O-N 2.77Å; E167-S170 VanDerWaalsContact O-N 3.16Å; E167-S170 PolarHBondContact O-OG 3.2Å; W168-S170 VanDerWaalsContact C-N 3.29Å; W168-S170 PolarHBondContact O-N 2.83Å; S170-R716 WeakPolarHBondContact OG-CG 3.26Å; S170-W717 WeakPolarHBondContact O-CB 3.2Å; S170-W717 PolarHBondContact O-N 3.2Å |
| 171 | R | 95.5 | Very high | 94.4 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 3% | 0.034 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -83.9 | -24.7 | 179.3 | -62.8 | -177.3 | -164.2 | -82.4 | 5.4 | 112.9 | L162 E167 W168 E169 T174 F713 Y714 R716 | L162-R171 HydrophobicContact CD2-CB 4.07Å; L162-R171 WeakPolarHBondContact O-CD 3.24Å; L162-R171 PolarHBondContact O-NE 3Å; E167-R171 WeakPolarHBondContact O-CG 3.46Å; E167-R171 PolarHBondContact O-N 2.99Å; E167-R171 VanDerWaalsContact O-N 3.14Å; E167-R171 IonicContact OE2-CZ 3.77Å; E167-R171 IonicContact OE2-NE 3.64Å; E167-R171 IonicContact OE2-NH2 2.95Å; E167-R171 PolarHBondContact OE2-NH2 2.88Å; W168-R171 PolarHBondContact O-N 2.78Å; E169-R171 VanDerWaalsContact C-N 3.3Å; E169-R171 PolarHBondContact O-N 2.91Å; R171-T174 PolarHBondContact O-OG1 3.38Å; R171-F713 VanDerWaalsContact CZ-CB 3.45Å; R171-F713 VanDerWaalsContact NH1-CB 3.33Å; R171-Y714 WeakPolarHBondContact CD-O 3.47Å; R171-Y714 WeakPolarHBondContact CG-O 3.2Å; R171-Y714 PolarHBondContact NH1-O 2.82Å; R171-R716 HydrophobicContact CG-CG 3.83Å |
| 172 | L | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -92.5 | -9.7 | 178.6 | -66.1 | 170.9 | 0 | 0 | 0 | 113.1 | Y157 L162 W168 E169 T174 V175 I183 F185 F227 W235 | Y157-L172 HydrophobicContact CD1-CD2 3.82Å; Y157-L172 HydrophobicContact CD2-CD2 4.09Å; Y157-L172 HydrophobicContact CE1-CD2 3.66Å; Y157-L172 HydrophobicContact CE2-CD2 3.98Å; Y157-L172 HydrophobicContact CG-CD2 4.04Å; L162-L172 HydrophobicContact CD2-CD2 3.85Å; L162-L172 HydrophobicContact CD2-CG 4.08Å; W168-L172 HydrophobicContact CB-CD1 4.35Å; W168-L172 WeakPolarHBondContact O-CB 3.36Å; W168-L172 VanDerWaalsContact O-CG 3.26Å; W168-L172 WeakPolarHBondContact O-CG 3.47Å; W168-L172 PolarHBondContact O-N 2.92Å; E169-L172 PolarHBondContact O-N 3.28Å; L172-T174 PolarHBondContact O-N 3.44Å; L172-V175 VanDerWaalsContact O-CB 3.26Å; L172-V175 WeakPolarHBondContact O-CB 3.35Å; L172-V175 WeakPolarHBondContact O-CG2 3.46Å; L172-V175 PolarHBondContact O-N 3.43Å; L172-I183 HydrophobicContact CD1-CD1 4.43Å; L172-I183 HydrophobicContact CD2-CD1 4.18Å; L172-I183 HydrophobicContact CD2-CG2 4.32Å; L172-F185 HydrophobicContact CD1-CE1 4.01Å; L172-F185 HydrophobicContact CD1-CZ 3.99Å; L172-F185 HydrophobicContact CD2-CE1 4.13Å; L172-F185 HydrophobicContact CD2-CZ 4.49Å; L172-F227 HydrophobicContact CD1-CE1 3.52Å; L172-F227 HydrophobicContact CD1-CZ 3.69Å; L172-W235 HydrophobicContact CB-CH2 4.48Å; L172-W235 HydrophobicContact CB-CZ3 4.22Å |
| 173 | H | 94.4 | Very high | 94.4 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 19% | 0.19 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.6 | -22.6 | 175 | -91.9 | -37.1 | 0 | 0 | 0 | 113.8 | E169 V175 R176 N177 W235 W717 | E169-H173 PolarHBondContact O-CD2 3.28Å; E169-H173 PolarHBondContact O-N 2.79Å; E169-H173 IonicContact OE1-CE1 3.21Å; H173-V175 VanDerWaalsContact C-N 3.26Å; H173-V175 PolarHBondContact O-N 3.27Å; H173-R176 PolarHBondContact O-N 3.11Å; H173-N177 WeakPolarHBondContact O-CB 3.48Å; H173-N177 PolarHBondContact O-N 2.92Å; H173-N177 PolarHBondContact O-ND2 2.97Å; H173-W235 AromaticContact CE1-CH2 3.86Å; H173-W235 AromaticContact CE1-CZ2 3.46Å; H173-W235 VanDerWaalsContact CE1-CZ2 3.46Å; H173-W235 WeakPolarHBondContact CE1-CZ2 3.28Å; H173-W235 AromaticContact ND1-CH2 3.39Å; H173-W235 WeakPolarHBondContact ND1-CH2 3.09Å; H173-W235 AromaticContact ND1-CZ2 3.41Å; H173-W235 WeakPolarHBondContact ND1-CZ2 3.43Å; H173-W717 HydrophobicContact CB-CB 3.67Å; H173-W717 HydrophobicContact CB-CD2 4.44Å; H173-W717 HydrophobicContact CB-CG 3.77Å |
| 174 | T | 92 | Very high | 94.6 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65 | -25.4 | 172.3 | 45.1 | 0 | 0 | 0 | 0 | 114.1 | Y157 R171 L172 G178 R695 W717 V721 | Y157-T174 PolarHBondContact OH-OG1 3.39Å; R171-T174 PolarHBondContact O-OG1 3.38Å; L172-T174 PolarHBondContact O-N 3.44Å; T174-G178 VanDerWaalsContact O-CA 3.24Å; T174-G178 WeakPolarHBondContact O-CA 3.45Å; T174-G178 PolarHBondContact O-N 2.88Å; T174-R695 VanDerWaalsContact CB-CZ 3.44Å; T174-R695 VanDerWaalsContact CB-NH1 3.27Å; T174-R695 VanDerWaalsContact CG2-NH1 3.33Å; T174-R695 PolarHBondContact OG1-NE 2.81Å; T174-R695 PolarHBondContact OG1-NH1 2.97Å; T174-R695 PolarHBondContact OG1-NH2 2.93Å; T174-W717 HydrophobicContact CG2-CE3 3.71Å; T174-W717 HydrophobicContact CG2-CZ3 4.15Å; T174-V721 HydrophobicContact CG2-CG1 3.93Å; T174-V721 HydrophobicContact CG2-CG2 4.33Å |
| 175 | V | 93.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.1 | -52.4 | 170.5 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | Y157 L172 H173 N177 G178 S179 Y180 I183 V237 | Y157-V175 HydrophobicContact CE2-CG2 3.62Å; Y157-V175 WeakPolarHBondContact OH-CG2 3.5Å; L172-V175 VanDerWaalsContact O-CB 3.26Å; L172-V175 WeakPolarHBondContact O-CB 3.35Å; L172-V175 WeakPolarHBondContact O-CG2 3.46Å; L172-V175 PolarHBondContact O-N 3.43Å; H173-V175 VanDerWaalsContact C-N 3.26Å; H173-V175 PolarHBondContact O-N 3.27Å; V175-N177 PolarHBondContact O-N 3.3Å; V175-G178 CarbonylContact O-C 3.42Å; V175-G178 PolarHBondContact O-N 2.98Å; V175-S179 PolarHBondContact O-N 2.94Å; V175-Y180 PolarHBondContact O-N 3.12Å; V175-I183 HydrophobicContact CB-CD1 4.22Å; V175-I183 HydrophobicContact CB-CG1 4.29Å; V175-I183 HydrophobicContact CG1-CD1 3.97Å; V175-I183 HydrophobicContact CG1-CG1 3.66Å; V175-I183 HydrophobicContact CG2-CD1 3.87Å; V175-I183 HydrophobicContact CG2-CG1 3.87Å; V175-V237 HydrophobicContact CG1-CG1 3.97Å; V175-V237 HydrophobicContact CG1-CG2 4.2Å |
| 176 | R | 87.1 | Confident | 94.7 | Very high | 132 Ų | 132 | 25.7 Ų | 25.7 | 50% | 0.498 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.1 | -43.1 | -179.8 | -178.3 | 177.9 | 176.5 | 179.7 | -1.3 | 112.4 | H173 W235 | H173-R176 PolarHBondContact O-N 3.11Å; R176-W235 HydrophobicContact CB-CD2 4.28Å; R176-W235 HydrophobicContact CB-CE3 3.92Å; R176-W235 HydrophobicContact CB-CZ3 4.23Å |
| 177 | N | 90.2 | Very high | 94.8 | Very high | 55 Ų | 55 | 21.4 Ų | 21.4 | 29% | 0.294 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -80.9 | -19 | 179.7 | -68.8 | -76.3 | 0 | 0 | 0 | 112.9 | H173 V175 W717 S732 | H173-N177 WeakPolarHBondContact O-CB 3.48Å; H173-N177 PolarHBondContact O-N 2.92Å; H173-N177 PolarHBondContact O-ND2 2.97Å; V175-N177 PolarHBondContact O-N 3.3Å; N177-W717 HydrophobicContact CB-CH2 3.67Å; N177-W717 HydrophobicContact CB-CZ2 3.94Å; N177-W717 HydrophobicContact CB-CZ3 4.13Å; N177-W717 VanDerWaalsContact CG-CZ2 3.47Å; N177-S732 VanDerWaalsContact O-CB 3.31Å; N177-S732 WeakPolarHBondContact O-CB 3.47Å |
| 178 | G | 92.5 | Very high | 95 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 7.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T174 V175 Y180 S732 N735 | T174-G178 VanDerWaalsContact O-CA 3.24Å; T174-G178 WeakPolarHBondContact O-CA 3.45Å; T174-G178 PolarHBondContact O-N 2.88Å; V175-G178 CarbonylContact O-C 3.42Å; V175-G178 PolarHBondContact O-N 2.98Å; G178-Y180 WeakPolarHBondContact O-CD2 3.25Å; G178-Y180 PolarHBondContact O-N 3.11Å; G178-S732 WeakPolarHBondContact O-CA 3.39Å; G178-N735 WeakPolarHBondContact O-CB 3.41Å; G178-N735 PolarHBondContact O-ND2 3.5Å |
| 179 | S | 93.3 | Very high | 95 | Very high | 39 Ų | 39 | 19.4 Ų | 19.4 | 27% | 0.273 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 25.6 | -179.2 | -54.2 | 0 | 0 | 0 | 0 | 114.9 | V175 S732 | V175-S179 PolarHBondContact O-N 2.94Å; S179-S732 WeakPolarHBondContact CB-O 3.32Å; S179-S732 PolarHBondContact OG-O 3.45Å; S179-S732 VanDerWaalsContact OG-O 3.09Å |
| 180 | Y | 95.8 | Very high | 95 | Very high | 8 Ų | 8 | 17.5 Ų | 17.5 | 3% | 0.031 | 9% | 0.085 | C | C | . | . | trans | -78.3 | 144.2 | 171.9 | -66.1 | -86.3 | 0 | 0 | 0 | 110.2 | V153 L154 Q155 V175 G178 D698 K731 N735 | V153-Y180 HydrophobicContact CG1-CD1 3.7Å; V153-Y180 HydrophobicContact CG1-CE1 4.22Å; V153-Y180 HydrophobicContact CG1-CG 4.39Å; L154-Y180 VanDerWaalsContact C-CD1 3.49Å; L154-Y180 WeakPolarHBondContact O-CD1 3.49Å; L154-Y180 WeakPolarHBondContact O-CE1 3.39Å; Q155-Y180 HydrophobicContact CB-CD1 3.7Å; Q155-Y180 HydrophobicContact CB-CD2 4.28Å; Q155-Y180 HydrophobicContact CB-CE1 3.72Å; Q155-Y180 HydrophobicContact CB-CE2 4.28Å; Q155-Y180 HydrophobicContact CB-CG 4Å; Q155-Y180 HydrophobicContact CG-CE1 4.36Å; Q155-Y180 HydrophobicContact CG-CE2 4.48Å; Q155-Y180 PolarHBondContact NE2-OH 3.1Å; V175-Y180 PolarHBondContact O-N 3.12Å; G178-Y180 WeakPolarHBondContact O-CD2 3.25Å; G178-Y180 PolarHBondContact O-N 3.11Å; Y180-D698 WeakPolarHBondContact CE2-OD2 3.33Å; Y180-D698 PolarHBondContact OH-OD1 2.89Å; Y180-D698 PolarHBondContact OH-OD2 3.43Å; Y180-K731 WeakPolarHBondContact OH-CE 3.47Å; Y180-N735 VanDerWaalsContact CE1-ND2 3.26Å; Y180-N735 WeakPolarHBondContact CE1-ND2 3.2Å; Y180-N735 WeakPolarHBondContact CE2-ND2 3.25Å | ||
| 181 | N | 94.4 | Very high | 95 | Very high | 11 Ų | 11 | 17 Ų | 17 | 6% | 0.059 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -113.9 | 0.3 | 178.6 | 66.8 | 13.7 | 0 | 0 | 0 | 113.5 | W147 G151 V153 V237 L238 | W147-N181 HydrophobicContact CH2-CB 4.25Å; W147-N181 HydrophobicContact CZ2-CB 4.03Å; G151-N181 PolarHBondContact O-ND2 2.94Å; V153-N181 PolarHBondContact N-OD1 3.31Å; V153-N181 PolarHBondContact O-N 2.88Å; V153-N181 PolarHBondContact O-OD1 3.13Å; N181-V237 WeakPolarHBondContact O-CA 3.3Å; N181-L238 PolarHBondContact O-N 2.97Å |
| 182 | M | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 142.1 | 174.3 | -171.7 | 172.9 | -69.9 | 0 | 0 | 111.4 | V152 V153 L154 Q155 L238 M240 A557 Y586 | V152-M182 HydrophobicContact CG1-CB 4.41Å; V152-M182 HydrophobicContact CG1-CE 4.27Å; V152-M182 HydrophobicContact CG1-SD 4.06Å; V152-M182 HydrophobicContact CG2-CE 4.46Å; V153-M182 PolarHBondContact O-N 3.39Å; L154-M182 VanDerWaalsContact CA-O 3.25Å; L154-M182 WeakPolarHBondContact CA-O 3.28Å; L154-M182 HydrophobicContact CB-CB 3.93Å; L154-M182 HydrophobicContact CB-CG 4.3Å; Q155-M182 PolarHBondContact N-O 3Å; Q155-M182 VanDerWaalsContact N-O 3.11Å; M182-L238 CarbonylContact C-O 3.56Å; M182-L238 VanDerWaalsContact CA-O 3.32Å; M182-L238 WeakPolarHBondContact CA-O 3.46Å; M182-L238 HydrophobicContact CE-CB 3.99Å; M182-L238 HydrophobicContact CE-CD1 4.26Å; M182-L238 HydrophobicContact CG-CB 4.43Å; M182-M240 HydrophobicContact SD-CB 4.3Å; M182-A557 HydrophobicContact CE-CB 4.49Å; M182-A557 HydrophobicContact SD-CB 4.24Å; M182-Y586 HydrophobicContact CE-CD1 4.06Å; M182-Y586 HydrophobicContact CE-CE1 4.49Å; M182-Y586 HydrophobicContact SD-CD1 4.19Å; M182-Y586 HydrophobicContact SD-CE1 4.32Å |
| 183 | I | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.1 | 172.7 | -52.3 | -179.7 | 0 | 0 | 0 | 108.2 | Y157 L172 V175 F185 L231 V237 L238 S239 M240 | Y157-I183 HydrophobicContact CD2-CG2 3.83Å; Y157-I183 HydrophobicContact CE2-CG2 4.25Å; L172-I183 HydrophobicContact CD1-CD1 4.43Å; L172-I183 HydrophobicContact CD2-CD1 4.18Å; L172-I183 HydrophobicContact CD2-CG2 4.32Å; V175-I183 HydrophobicContact CB-CD1 4.22Å; V175-I183 HydrophobicContact CB-CG1 4.29Å; V175-I183 HydrophobicContact CG1-CD1 3.97Å; V175-I183 HydrophobicContact CG1-CG1 3.66Å; V175-I183 HydrophobicContact CG2-CD1 3.87Å; V175-I183 HydrophobicContact CG2-CG1 3.87Å; I183-F185 HydrophobicContact CB-CD2 4.45Å; I183-F185 HydrophobicContact CB-CE2 3.89Å; I183-F185 HydrophobicContact CB-CZ 4.09Å; I183-F185 HydrophobicContact CD1-CZ 4.2Å; I183-F185 HydrophobicContact CG2-CD1 4.18Å; I183-F185 HydrophobicContact CG2-CD2 4.02Å; I183-F185 HydrophobicContact CG2-CE1 3.79Å; I183-F185 HydrophobicContact CG2-CE2 3.64Å; I183-F185 HydrophobicContact CG2-CG 4.29Å; I183-F185 HydrophobicContact CG2-CZ 3.51Å; I183-L231 HydrophobicContact CD1-CD1 3.86Å; I183-L231 HydrophobicContact CD1-CD2 4.37Å; I183-V237 HydrophobicContact CD1-CG1 3.88Å; I183-V237 HydrophobicContact CG1-CG1 3.57Å; I183-L238 PolarHBondContact N-O 3.16Å; I183-S239 CarbonylContact O-C 3.5Å; I183-S239 WeakPolarHBondContact O-CA 3.43Å; I183-M240 PolarHBondContact O-N 2.76Å |
| 184 | H | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 110.1 | 168.2 | 175 | -136.7 | 0 | 0 | 0 | 109.4 | L154 Q155 S156 Y157 M240 D242 R559 | L154-H184 HydrophobicContact CD1-CB 4.43Å; Q155-H184 PolarHBondContact O-N 2.76Å; S156-H184 CarbonylContact C-O 3.6Å; S156-H184 VanDerWaalsContact CA-O 3.27Å; S156-H184 WeakPolarHBondContact CA-O 3.47Å; S156-H184 PolarHBondContact OG-ND1 2.96Å; Y157-H184 PolarHBondContact N-O 3.28Å; H184-M240 WeakPolarHBondContact CA-O 3.47Å; H184-M240 HydrophobicContact CB-CB 4.37Å; H184-M240 HydrophobicContact CB-CE 3.69Å; H184-M240 WeakPolarHBondContact CD2-CE 3.48Å; H184-D242 IonicContact CE1-OD2 2.73Å; H184-D242 IonicContact NE2-OD1 3.04Å; H184-D242 IonicContact NE2-OD2 3.77Å; H184-D242 PolarHBondContact NE2-OD2 2.74Å; H184-R559 VanDerWaalsContact CE1-CD 3.48Å; H184-R559 WeakPolarHBondContact CE1-CD 3.45Å |
| 185 | F | 98 | Very high | 94.5 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124 | 171.7 | -63.8 | -77.1 | 0 | 0 | 0 | 108.3 | S159 L162 L172 I183 L188 L231 M240 T241 F555 | S159-F185 WeakPolarHBondContact OG-CB 3.43Å; L162-F185 HydrophobicContact CD1-CD1 3.96Å; L162-F185 HydrophobicContact CD1-CE1 3.81Å; L172-F185 HydrophobicContact CD1-CE1 4.01Å; L172-F185 HydrophobicContact CD1-CZ 3.99Å; L172-F185 HydrophobicContact CD2-CE1 4.13Å; L172-F185 HydrophobicContact CD2-CZ 4.49Å; I183-F185 HydrophobicContact CB-CD2 4.45Å; I183-F185 HydrophobicContact CB-CE2 3.89Å; I183-F185 HydrophobicContact CB-CZ 4.09Å; I183-F185 HydrophobicContact CD1-CZ 4.2Å; I183-F185 HydrophobicContact CG2-CD1 4.18Å; I183-F185 HydrophobicContact CG2-CD2 4.02Å; I183-F185 HydrophobicContact CG2-CE1 3.79Å; I183-F185 HydrophobicContact CG2-CE2 3.64Å; I183-F185 HydrophobicContact CG2-CG 4.29Å; I183-F185 HydrophobicContact CG2-CZ 3.51Å; F185-L188 HydrophobicContact CB-CD1 4.08Å; F185-L188 HydrophobicContact CB-CD2 4.46Å; F185-L188 HydrophobicContact CB-CG 4.23Å; F185-L188 HydrophobicContact CG-CD1 4.4Å; F185-L231 HydrophobicContact CE2-CD1 4.46Å; F185-L231 HydrophobicContact CZ-CD1 4.3Å; F185-M240 PolarHBondContact N-O 2.79Å; F185-T241 VanDerWaalsContact O-CA 3.27Å; F185-T241 WeakPolarHBondContact O-CA 3.2Å; F185-T241 PolarHBondContact O-OG1 2.8Å; F185-F555 AromaticContact CD2-CE1 3.95Å; F185-F555 HydrophobicContact CD2-CE1 3.95Å; F185-F555 HydrophobicContact CE2-CE1 4.48Å |
| 186 | T | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -60.4 | 168.6 | 161.6 | 69.1 | 0 | 0 | 0 | 0 | 109.4 | Y157 L158 S159 L188 D242 | Y157-T186 WeakPolarHBondContact O-CG2 3.2Å; Y157-T186 PolarHBondContact O-N 2.93Å; Y157-T186 PolarHBondContact O-OG1 2.98Å; L158-T186 WeakPolarHBondContact CA-OG1 3.49Å; L158-T186 HydrophobicContact CD2-CG2 3.72Å; S159-T186 WeakPolarHBondContact CB-O 3.18Å; S159-T186 PolarHBondContact N-OG1 3.3Å; S159-T186 PolarHBondContact OG-N 3.4Å; S159-T186 PolarHBondContact OG-O 3.01Å; T186-L188 PolarHBondContact O-N 3.41Å; T186-D242 WeakPolarHBondContact CA-OD2 3.35Å | ||
| 187 | P | 97.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.013 | 11% | 0.106 | C | C | . | . | trans | -44.8 | 129.6 | -175.7 | -32.1 | 37.2 | 0 | 0 | 0 | 114.3 | Q189 A197 Y198 L200 D242 V244 | P187-Q189 VanDerWaalsContact C-OE1 3.3Å; P187-A197 WeakPolarHBondContact CB-O 3.25Å; P187-A197 WeakPolarHBondContact CD-O 3.33Å; P187-A197 VanDerWaalsContact CG-O 3.31Å; P187-A197 WeakPolarHBondContact CG-O 3.26Å; P187-Y198 HydrophobicContact CG-CD1 3.87Å; P187-Y198 HydrophobicContact CG-CE1 4.02Å; P187-L200 HydrophobicContact CB-CD1 4.15Å; P187-L200 HydrophobicContact CB-CD2 3.44Å; P187-L200 VanDerWaalsContact CB-CD2 3.44Å; P187-L200 HydrophobicContact CB-CG 4.39Å; P187-L200 HydrophobicContact CG-CD2 4.06Å; P187-D242 HydrophobicContact CG-CB 3.87Å; P187-V244 HydrophobicContact CG-CG2 3.98Å | ||
| 188 | L | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | trans | -93.4 | -1 | -179.9 | -69.6 | 158 | 0 | 0 | 0 | 112.3 | S159 W168 F185 T186 N207 F210 W221 I224 F555 | S159-L188 WeakPolarHBondContact OG-CD2 3.07Å; W168-L188 HydrophobicContact CH2-CD2 3.5Å; W168-L188 VanDerWaalsContact CH2-CD2 3.5Å; W168-L188 HydrophobicContact CZ2-CD2 4.26Å; W168-L188 HydrophobicContact CZ3-CD2 4.15Å; F185-L188 HydrophobicContact CB-CD1 4.08Å; F185-L188 HydrophobicContact CB-CD2 4.46Å; F185-L188 HydrophobicContact CB-CG 4.23Å; F185-L188 HydrophobicContact CG-CD1 4.4Å; T186-L188 PolarHBondContact O-N 3.41Å; L188-N207 WeakPolarHBondContact O-CB 3.48Å; L188-N207 PolarHBondContact O-N 3.25Å; L188-F210 HydrophobicContact CB-CE2 4.31Å; L188-F210 HydrophobicContact CD2-CE2 3.84Å; L188-F210 HydrophobicContact CD2-CZ 4.12Å; L188-F210 WeakPolarHBondContact O-CE2 3.15Å; L188-W221 HydrophobicContact CB-CH2 4.11Å; L188-W221 HydrophobicContact CB-CZ3 4.22Å; L188-I224 HydrophobicContact CD1-CG2 4.44Å; L188-F555 HydrophobicContact CD1-CE1 4.01Å; L188-F555 HydrophobicContact CD1-CE2 4.16Å; L188-F555 HydrophobicContact CD1-CZ 3.32Å | ||
| 189 | Q | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 166.2 | -174.4 | -67.8 | 74.9 | 17.4 | 0 | 0 | 111.9 | P187 L191 L200 D202 Q203 T205 N207 W221 Y547 | P187-Q189 VanDerWaalsContact C-OE1 3.3Å; Q189-L191 PolarHBondContact O-N 2.93Å; Q189-L200 HydrophobicContact CB-CD1 4.18Å; Q189-L200 HydrophobicContact CB-CD2 4.28Å; Q189-L200 HydrophobicContact CG-CD1 4.36Å; Q189-D202 WeakPolarHBondContact CB-O 3.34Å; Q189-Q203 WeakPolarHBondContact CG-O 3.41Å; Q189-T205 CarbonylContact C-O 3.59Å; Q189-T205 VanDerWaalsContact CA-O 3.25Å; Q189-T205 WeakPolarHBondContact CA-O 3.47Å; Q189-N207 WeakPolarHBondContact O-CB 3.05Å; Q189-W221 HydrophobicContact CG-CH2 4.13Å; Q189-W221 HydrophobicContact CG-CZ2 4.11Å; Q189-Y547 HydrophobicContact CG-CE2 4.3Å |
| 190 | E | 97 | Very high | 95 | Very high | 39 Ų | 39 | 18.4 Ų | 18.4 | 18% | 0.182 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 125 | 173.5 | -172.5 | 176 | 161.4 | 0 | 0 | 110.4 | L200 K201 D202 T205 P208 | E190-L200 CarbonylContact O-C 3.57Å; E190-K201 HydrophobicContact CG-CB 4.36Å; E190-K201 HydrophobicContact CG-CD 4.39Å; E190-K201 PolarHBondContact O-N 3.06Å; E190-K201 WeakPolarHBondContact OE1-CD 3.26Å; E190-K201 IonicContact OE1-NZ 3.97Å; E190-K201 PolarHBondContact OE1-NZ 2.65Å; E190-D202 HydrophobicContact CB-CB 4.11Å; E190-D202 PolarHBondContact N-O 2.75Å; E190-D202 PolarHBondContact O-N 3.26Å; E190-T205 PolarHBondContact N-O 3.28Å; E190-P208 HydrophobicContact CG-CG 4.28Å |
| 191 | L | 95.5 | Very high | 95 | Very high | 18 Ų | 18 | 20.7 Ų | 20.7 | 9% | 0.094 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 152 | -179.9 | -53.3 | -179.5 | 0 | 0 | 0 | 111 | K160 Q189 L200 | K160-L191 HydrophobicContact CB-CD1 4.04Å; K160-L191 HydrophobicContact CD-CD1 4.06Å; Q189-L191 PolarHBondContact O-N 2.93Å; L191-L200 HydrophobicContact CD2-CD2 3.79Å |
| 192 | G | 94.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 5% | 0.052 | 10% | 0.099 | C | C | . | . | trans | -73.2 | -178.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S194 R195 S199 S249 D251 | G192-S194 PolarHBondContact O-N 3.25Å; G192-S194 VanDerWaalsContact O-N 3.17Å; G192-R195 WeakPolarHBondContact O-CA 3.17Å; G192-R195 PolarHBondContact O-N 3.17Å; G192-S199 PolarHBondContact N-O 3.29Å; G192-S249 WeakPolarHBondContact CA-OG 3.49Å; G192-D251 WeakPolarHBondContact CA-OD1 3.3Å | ||
| 193 | Y | 92.4 | Very high | 95.1 | Very high | 138 Ų | 138 | 21.9 Ų | 21.9 | 54% | 0.541 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31.8 | -178.1 | 77 | -78.1 | 0 | 0 | 0 | 114.3 | R195 N250 D251 D524 | Y193-R195 PolarHBondContact O-N 3.03Å; Y193-N250 WeakPolarHBondContact CE1-OD1 3.36Å; Y193-D251 WeakPolarHBondContact CB-OD2 3.44Å; Y193-D251 HydrophobicContact CD1-CB 4.05Å; Y193-D251 PolarHBondContact N-OD2 3.41Å; Y193-D524 HydrophobicContact CE1-CB 4.16Å |
| 194 | S | 89.6 | Confident | 95.1 | Very high | 25 Ų | 25 | 24.3 Ų | 24.3 | 18% | 0.175 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20 | 177.6 | 71.6 | 0 | 0 | 0 | 0 | 112.5 | G192 S196 D524 V708 | G192-S194 PolarHBondContact O-N 3.25Å; G192-S194 VanDerWaalsContact O-N 3.17Å; S194-S196 PolarHBondContact O-N 3.34Å; S194-S196 VanDerWaalsContact O-N 3.1Å; S194-S196 WeakPolarHBondContact OG-CB 3.48Å; S194-S196 PolarHBondContact OG-N 3.1Å; S194-D524 VanDerWaalsContact CB-OD2 3.28Å; S194-D524 WeakPolarHBondContact CB-OD2 3.31Å; S194-D524 PolarHBondContact OG-OD2 3.37Å; S194-V708 WeakPolarHBondContact O-CG1 3.31Å |
| 195 | R | 90.7 | Very high | 95 | Very high | 101 Ų | 101 | 26.9 Ų | 26.9 | 38% | 0.381 | 13% | 0.128 | S | C | . | . | trans | 55.6 | 20.7 | -172.7 | -54.3 | -167.9 | 61.7 | -177.9 | -18.3 | 113.6 | K160 G192 Y193 E711 | K160-R195 WeakPolarHBondContact CD-O 3.39Å; K160-R195 PolarHBondContact NZ-O 2.62Å; G192-R195 WeakPolarHBondContact O-CA 3.17Å; G192-R195 PolarHBondContact O-N 3.17Å; Y193-R195 PolarHBondContact O-N 3.03Å; R195-E711 IonicContact CZ-OE1 3.26Å; R195-E711 IonicContact CZ-OE2 2.73Å; R195-E711 IonicContact NE-OE1 3.96Å; R195-E711 PolarHBondContact NE-OE1 3.21Å; R195-E711 IonicContact NE-OE2 3.91Å; R195-E711 IonicContact NH1-OE1 3.5Å; R195-E711 IonicContact NH1-OE2 3.78Å; R195-E711 PolarHBondContact NH1-OE2 3.2Å; R195-E711 IonicContact NH2-OE1 3.78Å; R195-E711 IonicContact NH2-OE2 2.8Å; R195-E711 PolarHBondContact NH2-OE2 2.7Å | ||
| 196 | S | 91.2 | Very high | 95 | Very high | 14 Ų | 14 | 27.1 Ų | 27.1 | 10% | 0.098 | 13% | 0.129 | C | C | . | . | trans | -61.8 | 135.2 | 168.8 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | S194 Y198 S199 D524 | S194-S196 PolarHBondContact O-N 3.34Å; S194-S196 VanDerWaalsContact O-N 3.1Å; S194-S196 WeakPolarHBondContact OG-CB 3.48Å; S194-S196 PolarHBondContact OG-N 3.1Å; S196-Y198 PolarHBondContact O-N 3.14Å; S196-Y198 VanDerWaalsContact O-N 3.09Å; S196-S199 PolarHBondContact O-N 3.11Å; S196-D524 WeakPolarHBondContact CB-OD2 3.29Å | ||
| 197 | A | 90.7 | Very high | 95 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L158 P187 V707 | L158-A197 HydrophobicContact CD2-CB 4.42Å; P187-A197 WeakPolarHBondContact CB-O 3.25Å; P187-A197 WeakPolarHBondContact CD-O 3.33Å; P187-A197 VanDerWaalsContact CG-O 3.31Å; P187-A197 WeakPolarHBondContact CG-O 3.26Å; A197-V707 PolarHBondContact N-O 2.62Å |
| 198 | Y | 93.7 | Very high | 94.8 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 8% | 0.082 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -8.7 | -179.2 | -66.5 | -82.5 | 0 | 0 | 0 | 114 | P187 S196 L200 D242 V244 H247 D561 H663 | P187-Y198 HydrophobicContact CG-CD1 3.87Å; P187-Y198 HydrophobicContact CG-CE1 4.02Å; S196-Y198 PolarHBondContact O-N 3.14Å; S196-Y198 VanDerWaalsContact O-N 3.09Å; Y198-L200 PolarHBondContact O-N 2.75Å; Y198-L200 VanDerWaalsContact O-N 3.14Å; Y198-D242 HydrophobicContact CE1-CB 4.12Å; Y198-D242 PolarHBondContact OH-OD2 2.98Å; Y198-V244 HydrophobicContact CD1-CG2 3.9Å; Y198-H247 PolarHBondContact O-NE2 2.93Å; Y198-D561 HydrophobicContact CD1-CB 4.36Å; Y198-D561 HydrophobicContact CE1-CB 4.31Å; Y198-D561 WeakPolarHBondContact CE1-OD1 3.35Å; Y198-H663 AromaticContact CE2-NE2 3.39Å; Y198-H663 WeakPolarHBondContact CE2-NE2 3.5Å; Y198-H663 AromaticContact CZ-NE2 3.42Å; Y198-H663 PolarHBondContact OH-CE1 3Å; Y198-H663 PolarHBondContact OH-NE2 2.86Å |
| 199 | S | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -87.1 | 84.1 | 175.4 | -165.6 | 0 | 0 | 0 | 0 | 110.1 | G192 S196 S249 D524 S525 | G192-S199 PolarHBondContact N-O 3.29Å; S196-S199 PolarHBondContact O-N 3.11Å; S199-S249 WeakPolarHBondContact OG-CA 3.26Å; S199-S249 WeakPolarHBondContact OG-CB 3.37Å; S199-S249 PolarHBondContact OG-OG 2.81Å; S199-D524 VanDerWaalsContact CB-OD2 3.31Å; S199-D524 WeakPolarHBondContact CB-OD2 3.45Å; S199-D524 PolarHBondContact OG-O 3.01Å; S199-D524 VanDerWaalsContact OG-O 3.09Å; S199-D524 PolarHBondContact OG-OD2 2.85Å; S199-S525 PolarHBondContact OG-OG 2.98Å | ||
| 200 | L | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.6 | -173.8 | -47.6 | -173.9 | 0 | 0 | 0 | 111 | P187 Q189 E190 L191 Y198 Q203 V244 T248 S249 S252 | P187-L200 HydrophobicContact CB-CD1 4.15Å; P187-L200 HydrophobicContact CB-CD2 3.44Å; P187-L200 VanDerWaalsContact CB-CD2 3.44Å; P187-L200 HydrophobicContact CB-CG 4.39Å; P187-L200 HydrophobicContact CG-CD2 4.06Å; Q189-L200 HydrophobicContact CB-CD1 4.18Å; Q189-L200 HydrophobicContact CB-CD2 4.28Å; Q189-L200 HydrophobicContact CG-CD1 4.36Å; E190-L200 CarbonylContact O-C 3.57Å; L191-L200 HydrophobicContact CD2-CD2 3.79Å; Y198-L200 PolarHBondContact O-N 2.75Å; Y198-L200 VanDerWaalsContact O-N 3.14Å; L200-Q203 HydrophobicContact CD1-CG 4.33Å; L200-V244 HydrophobicContact CD1-CB 4.12Å; L200-V244 HydrophobicContact CD1-CG2 4.13Å; L200-T248 PolarHBondContact O-OG1 3.33Å; L200-S249 WeakPolarHBondContact O-CB 3.44Å; L200-S249 PolarHBondContact O-N 2.92Å; L200-S252 PolarHBondContact O-OG 3.2Å |
| 201 | K | 97.1 | Very high | 94.6 | Very high | 55 Ų | 55 | 31.8 Ų | 31.8 | 24% | 0.239 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -40.6 | 173.8 | -176.3 | 178.1 | 167 | -150.8 | 0 | 111.9 | E190 S252 W254 | E190-K201 HydrophobicContact CG-CB 4.36Å; E190-K201 HydrophobicContact CG-CD 4.39Å; E190-K201 PolarHBondContact O-N 3.06Å; E190-K201 WeakPolarHBondContact OE1-CD 3.26Å; E190-K201 IonicContact OE1-NZ 3.97Å; E190-K201 PolarHBondContact OE1-NZ 2.65Å; K201-S252 WeakPolarHBondContact CA-OG 3.3Å; K201-S252 WeakPolarHBondContact O-CB 3.47Å; K201-S252 PolarHBondContact O-OG 3.33Å; K201-W254 PolarHBondContact O-NE1 3.09Å; K201-W254 VanDerWaalsContact O-NE1 3.13Å |
| 202 | D | 96.7 | Very high | 94.4 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 19% | 0.193 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 107.4 | 176.4 | -175.5 | -0.6 | 0 | 0 | 0 | 111.8 | Q189 E190 L204 T205 R543 | Q189-D202 WeakPolarHBondContact CB-O 3.34Å; E190-D202 HydrophobicContact CB-CB 4.11Å; E190-D202 PolarHBondContact N-O 2.75Å; E190-D202 PolarHBondContact O-N 3.26Å; D202-L204 PolarHBondContact O-N 3.25Å; D202-L204 PolarHBondContact OD1-N 3.46Å; D202-T205 PolarHBondContact O-N 3.36Å; D202-T205 VanDerWaalsContact OD2-CB 3.28Å; D202-T205 WeakPolarHBondContact OD2-CB 3.35Å; D202-T205 PolarHBondContact OD2-OG1 2.87Å; D202-R543 IonicContact OD1-CZ 3.84Å; D202-R543 IonicContact OD1-NH1 3.55Å; D202-R543 IonicContact OD1-NH2 3.88Å; D202-R543 PolarHBondContact OD1-NH2 3.41Å |
| 203 | Q | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | -22.8 | 179.9 | -64.6 | 78.1 | 5.9 | 0 | 0 | 114.1 | Q189 L200 T248 M544 Y547 | Q189-Q203 WeakPolarHBondContact CG-O 3.41Å; L200-Q203 HydrophobicContact CD1-CG 4.33Å; Q203-T248 PolarHBondContact NE2-OG1 3.47Å; Q203-M544 HydrophobicContact CG-CE 3.95Å; Q203-M544 HydrophobicContact CG-SD 4.3Å; Q203-Y547 HydrophobicContact CB-CD1 3.92Å; Q203-Y547 HydrophobicContact CB-CD2 4.26Å; Q203-Y547 HydrophobicContact CB-CE1 4.36Å; Q203-Y547 HydrophobicContact CB-CG 3.85Å; Q203-Y547 HydrophobicContact CG-CD1 3.95Å; Q203-Y547 HydrophobicContact CG-CE1 4.14Å; Q203-Y547 HydrophobicContact CG-CG 4.4Å |
| 204 | L | 96.9 | Very high | 94 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 27% | 0.267 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -4 | -172.8 | -58.3 | -178.1 | 0 | 0 | 0 | 113 | D202 W221 R543 K546 | D202-L204 PolarHBondContact O-N 3.25Å; D202-L204 PolarHBondContact OD1-N 3.46Å; L204-W221 PolarHBondContact O-NE1 2.83Å; L204-R543 HydrophobicContact CD1-CG 4.45Å; L204-K546 HydrophobicContact CD1-CB 4.47Å; L204-K546 HydrophobicContact CD2-CB 3.93Å |
| 205 | T | 96.4 | Very high | 94 | Very high | 54 Ų | 54 | 36.8 Ų | 36.8 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.6 | -177.7 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | Q189 E190 D202 | Q189-T205 CarbonylContact C-O 3.59Å; Q189-T205 VanDerWaalsContact CA-O 3.25Å; Q189-T205 WeakPolarHBondContact CA-O 3.47Å; E190-T205 PolarHBondContact N-O 3.28Å; D202-T205 PolarHBondContact O-N 3.36Å; D202-T205 VanDerWaalsContact OD2-CB 3.28Å; D202-T205 WeakPolarHBondContact OD2-CB 3.35Å; D202-T205 PolarHBondContact OD2-OG1 2.87Å |
| 206 | V | 97.2 | Very high | 93.8 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 139 | 172.6 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | P208 F210 V219 W221 I224 | V206-P208 VanDerWaalsContact O-CD 3.27Å; V206-P208 WeakPolarHBondContact O-CD 3.22Å; V206-P208 VanDerWaalsContact O-N 3.09Å; V206-F210 HydrophobicContact CG1-CD2 3.61Å; V206-F210 HydrophobicContact CG1-CE2 4.22Å; V206-V219 HydrophobicContact CG1-CG1 4.31Å; V206-W221 HydrophobicContact CG2-CB 4.46Å; V206-W221 HydrophobicContact CG2-CD2 3.33Å; V206-W221 HydrophobicContact CG2-CE3 3.69Å; V206-W221 HydrophobicContact CG2-CG 3.71Å; V206-W221 HydrophobicContact CG2-CH2 4.11Å; V206-W221 HydrophobicContact CG2-CZ2 3.82Å; V206-W221 HydrophobicContact CG2-CZ3 4.06Å; V206-I224 HydrophobicContact CG1-CG1 4.46Å; V206-I224 HydrophobicContact CG2-CG1 4.17Å |
| 207 | N | 96.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | trans | -51.2 | 117.3 | 179.8 | -169.3 | -32.9 | 0 | 0 | 0 | 111.5 | L188 Q189 S209 F210 | L188-N207 WeakPolarHBondContact O-CB 3.48Å; L188-N207 PolarHBondContact O-N 3.25Å; Q189-N207 WeakPolarHBondContact O-CB 3.05Å; N207-S209 PolarHBondContact ND2-OG 2.83Å; N207-S209 PolarHBondContact O-N 3.33Å; N207-S209 WeakPolarHBondContact OD1-CB 3.36Å; N207-S209 PolarHBondContact OD1-N 2.63Å; N207-S209 PolarHBondContact OD1-OG 2.81Å; N207-F210 HydrophobicContact CB-CD1 4.46Å; N207-F210 HydrophobicContact CB-CD2 3.82Å; N207-F210 HydrophobicContact CB-CE1 4.19Å; N207-F210 HydrophobicContact CB-CE2 3.52Å; N207-F210 HydrophobicContact CB-CG 4.28Å; N207-F210 HydrophobicContact CB-CZ 3.72Å; N207-F210 WeakPolarHBondContact O-CB 3.46Å; N207-F210 WeakPolarHBondContact O-CD2 3.42Å; N207-F210 WeakPolarHBondContact O-CG 3.32Å; N207-F210 PolarHBondContact O-N 3.09Å | ||
| 208 | P | 94.3 | Very high | 93.9 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -59 | -24.3 | -177.3 | -26.8 | 35.4 | 0 | 0 | 0 | 114.1 | E190 V206 F210 T211 | E190-P208 HydrophobicContact CG-CG 4.28Å; V206-P208 VanDerWaalsContact O-CD 3.27Å; V206-P208 WeakPolarHBondContact O-CD 3.22Å; V206-P208 VanDerWaalsContact O-N 3.09Å; P208-F210 PolarHBondContact O-N 3.49Å; P208-T211 WeakPolarHBondContact O-CB 3.44Å; P208-T211 PolarHBondContact O-N 2.8Å |
| 209 | S | 93.1 | Very high | 93.9 | Very high | 46 Ų | 46 | 51 Ų | 51 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -63.4 | -17.6 | 177.9 | 66 | 0 | 0 | 0 | 0 | 114 | N207 T211 | N207-S209 PolarHBondContact ND2-OG 2.83Å; N207-S209 PolarHBondContact O-N 3.33Å; N207-S209 WeakPolarHBondContact OD1-CB 3.36Å; N207-S209 PolarHBondContact OD1-N 2.63Å; N207-S209 PolarHBondContact OD1-OG 2.81Å; S209-T211 VanDerWaalsContact C-N 3.26Å; S209-T211 PolarHBondContact O-N 3.23Å |
| 210 | F | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -74.8 | -18.4 | 173.8 | -55 | -27.3 | 0 | 0 | 0 | 112.5 | S159 G163 I164 F165 W168 L188 V206 N207 P208 | S159-F210 VanDerWaalsContact O-CE1 3.28Å; S159-F210 WeakPolarHBondContact O-CE1 3.49Å; G163-F210 WeakPolarHBondContact O-CD1 3.36Å; I164-F210 CarbonylContact C-O 3.33Å; I164-F210 WeakPolarHBondContact CA-O 3.47Å; F165-F210 HydrophobicContact CB-CB 4.43Å; F165-F210 WeakPolarHBondContact CB-O 3.33Å; F165-F210 PolarHBondContact N-O 2.99Å; W168-F210 AromaticContact CH2-CD2 3.87Å; W168-F210 HydrophobicContact CH2-CD2 3.87Å; W168-F210 AromaticContact CH2-CE2 3.88Å; W168-F210 HydrophobicContact CH2-CE2 3.88Å; W168-F210 HydrophobicContact CH2-CG 4.35Å; W168-F210 HydrophobicContact CH2-CZ 4.37Å; W168-F210 HydrophobicContact CZ2-CB 4.19Å; W168-F210 AromaticContact CZ2-CD1 3.7Å; W168-F210 HydrophobicContact CZ2-CD1 3.7Å; W168-F210 AromaticContact CZ2-CD2 3.48Å; W168-F210 HydrophobicContact CZ2-CD2 3.48Å; W168-F210 VanDerWaalsContact CZ2-CD2 3.48Å; W168-F210 AromaticContact CZ2-CE1 3.84Å; W168-F210 HydrophobicContact CZ2-CE1 3.84Å; W168-F210 AromaticContact CZ2-CE2 3.63Å; W168-F210 HydrophobicContact CZ2-CE2 3.63Å; W168-F210 AromaticContact CZ2-CG 3.53Å; W168-F210 HydrophobicContact CZ2-CG 3.53Å; W168-F210 AromaticContact CZ2-CZ 3.82Å; W168-F210 HydrophobicContact CZ2-CZ 3.82Å; L188-F210 HydrophobicContact CB-CE2 4.31Å; L188-F210 HydrophobicContact CD2-CE2 3.84Å; L188-F210 HydrophobicContact CD2-CZ 4.12Å; L188-F210 WeakPolarHBondContact O-CE2 3.15Å; V206-F210 HydrophobicContact CG1-CD2 3.61Å; V206-F210 HydrophobicContact CG1-CE2 4.22Å; N207-F210 HydrophobicContact CB-CD1 4.46Å; N207-F210 HydrophobicContact CB-CD2 3.82Å; N207-F210 HydrophobicContact CB-CE1 4.19Å; N207-F210 HydrophobicContact CB-CE2 3.52Å; N207-F210 HydrophobicContact CB-CG 4.28Å; N207-F210 HydrophobicContact CB-CZ 3.72Å; N207-F210 WeakPolarHBondContact O-CB 3.46Å; N207-F210 WeakPolarHBondContact O-CD2 3.42Å; N207-F210 WeakPolarHBondContact O-CG 3.32Å; N207-F210 PolarHBondContact O-N 3.09Å; P208-F210 PolarHBondContact O-N 3.49Å |
| 211 | T | 96.2 | Very high | 94 | Very high | 24 Ų | 24 | 55.2 Ų | 55.2 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -77.4 | 126.3 | 177.3 | -59 | 0 | 0 | 0 | 0 | 110.1 | P208 S209 A215 V219 | P208-T211 WeakPolarHBondContact O-CB 3.44Å; P208-T211 PolarHBondContact O-N 2.8Å; S209-T211 VanDerWaalsContact C-N 3.26Å; S209-T211 PolarHBondContact O-N 3.23Å; T211-A215 HydrophobicContact CG2-CB 3.89Å; T211-V219 PolarHBondContact OG1-N 2.84Å |
| 212 | P | 93.3 | Very high | 94 | Very high | 34 Ų | 34 | 56.7 Ų | 56.7 | 22% | 0.221 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 139.3 | 176 | -24.3 | 33.2 | 0 | 0 | 0 | 112.2 | I164 P166 G214 A215 | I164-P212 HydrophobicContact CB-CG 4.38Å; I164-P212 HydrophobicContact CD1-CB 4.46Å; P166-P212 HydrophobicContact CG-CG 3.71Å; P212-G214 PolarHBondContact O-N 3.49Å; P212-A215 HydrophobicContact CB-CB 4.23Å; P212-A215 VanDerWaalsContact O-CB 3.29Å; P212-A215 WeakPolarHBondContact O-CB 3.37Å; P212-A215 PolarHBondContact O-N 3.5Å |
| 213 | P | 88.6 | Confident | 94 | Very high | 126 Ų | 126 | 56.9 Ų | 56.9 | 82% | 0.818 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 124.9 | 175.7 | -25.3 | 33.5 | 0 | 0 | 0 | 111.5 | ||
| 214 | G | 89.8 | Confident | 94.1 | Very high | 84 Ų | 84 | 57 Ų | 57 | 87% | 0.866 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 2.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | P212 | P212-G214 PolarHBondContact O-N 3.49Š|
| 215 | A | 88.7 | Confident | 94.2 | Very high | 46 Ų | 46 | 56 Ų | 56 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | trans | -65.3 | 137.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T211 P212 | T211-A215 HydrophobicContact CG2-CB 3.89Å; P212-A215 HydrophobicContact CB-CB 4.23Å; P212-A215 VanDerWaalsContact O-CB 3.29Å; P212-A215 WeakPolarHBondContact O-CB 3.37Å; P212-A215 PolarHBondContact O-N 3.5Å | ||
| 216 | T | 87.2 | Confident | 94.2 | Very high | 156 Ų | 156 | 57.2 Ų | 57.2 | 96% | 0.957 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -75.3 | -29.6 | 178.4 | 46.2 | 0 | 0 | 0 | 0 | 113 | ||
| 217 | K | 90.8 | Very high | 94.2 | Very high | 109 Ų | 109 | 57.9 Ų | 57.9 | 47% | 0.474 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -106 | 127.5 | 174.6 | -168.5 | -158.5 | 170.1 | -160.7 | 0 | 109.2 | D220 D223 | K217-D220 VanDerWaalsContact CE-OD2 3.28Å; K217-D220 WeakPolarHBondContact CE-OD2 3.4Å; K217-D220 IonicContact NZ-OD2 3.36Å; K217-D220 PolarHBondContact NZ-OD2 2.85Å; K217-D223 IonicContact NZ-OD1 3.76Å; K217-D223 PolarHBondContact NZ-OD1 3.38Å; K217-D223 IonicContact NZ-OD2 2.6Å; K217-D223 PolarHBondContact NZ-OD2 3.35Å |
| 218 | K | 92 | Very high | 94.2 | Very high | 156 Ų | 156 | 57.4 Ų | 57.4 | 68% | 0.678 | 35% | 0.347 | S | S | * | . | trans | -71 | 144.3 | 168.1 | -67.3 | -174.8 | 178.8 | -176.7 | 0 | 110 | D220 | K218-D220 PolarHBondContact O-N 3.02Š| ||
| 219 | V | 95.2 | Very high | 94.2 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | trans | -66.2 | 125.7 | 170 | 177.9 | 0 | 0 | 0 | 0 | 108 | F165 V206 T211 D223 I224 | F165-V219 HydrophobicContact CB-CB 4.43Å; F165-V219 HydrophobicContact CB-CG1 4.04Å; F165-V219 HydrophobicContact CB-CG2 3.58Å; F165-V219 HydrophobicContact CD1-CG1 4.15Å; F165-V219 HydrophobicContact CD1-CG2 4.12Å; F165-V219 HydrophobicContact CD2-CG1 4Å; F165-V219 HydrophobicContact CE2-CG1 4.49Å; F165-V219 HydrophobicContact CG-CG1 3.81Å; F165-V219 HydrophobicContact CG-CG2 4.01Å; V206-V219 HydrophobicContact CG1-CG1 4.31Å; T211-V219 PolarHBondContact OG1-N 2.84Å; V219-D223 HydrophobicContact CG1-CB 4.15Å; V219-I224 HydrophobicContact CG1-CD1 4.22Å | ||
| 220 | D | 95.7 | Very high | 94.3 | Very high | 55 Ų | 55 | 59.7 Ų | 59.7 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | trans | -124.2 | 176.8 | -177.4 | 66.8 | 43.6 | 0 | 0 | 0 | 112 | K217 K218 T222 D223 I224 | K217-D220 VanDerWaalsContact CE-OD2 3.28Å; K217-D220 WeakPolarHBondContact CE-OD2 3.4Å; K217-D220 IonicContact NZ-OD2 3.36Å; K217-D220 PolarHBondContact NZ-OD2 2.85Å; K218-D220 PolarHBondContact O-N 3.02Å; D220-T222 PolarHBondContact O-N 3.03Å; D220-T222 VanDerWaalsContact OD1-CA 3.31Å; D220-T222 WeakPolarHBondContact OD1-CA 3.49Å; D220-T222 WeakPolarHBondContact OD1-CB 3.23Å; D220-T222 PolarHBondContact OD1-N 2.81Å; D220-T222 PolarHBondContact OD1-OG1 3.16Å; D220-T222 VanDerWaalsContact OD1-OG1 3.1Å; D220-D223 PolarHBondContact N-OD2 3.36Å; D220-D223 WeakPolarHBondContact O-CB 3.28Å; D220-D223 PolarHBondContact O-N 3.44Å; D220-D223 VanDerWaalsContact O-N 3.07Å; D220-D223 PolarHBondContact OD1-N 2.82Å; D220-I224 PolarHBondContact O-N 2.89Å | ||
| 221 | W | 96.9 | Very high | 94.1 | Very high | 33 Ų | 33 | 59.7 Ų | 59.7 | 13% | 0.125 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.5 | -22.9 | -179 | -66.7 | 112.3 | 0 | 0 | 0 | 114.1 | L188 Q189 L204 V206 I224 E225 L550 I554 | L188-W221 HydrophobicContact CB-CH2 4.11Å; L188-W221 HydrophobicContact CB-CZ3 4.22Å; Q189-W221 HydrophobicContact CG-CH2 4.13Å; Q189-W221 HydrophobicContact CG-CZ2 4.11Å; L204-W221 PolarHBondContact O-NE1 2.83Å; V206-W221 HydrophobicContact CG2-CB 4.46Å; V206-W221 HydrophobicContact CG2-CD2 3.33Å; V206-W221 HydrophobicContact CG2-CE3 3.69Å; V206-W221 HydrophobicContact CG2-CG 3.71Å; V206-W221 HydrophobicContact CG2-CH2 4.11Å; V206-W221 HydrophobicContact CG2-CZ2 3.82Å; V206-W221 HydrophobicContact CG2-CZ3 4.06Å; W221-I224 HydrophobicContact CE3-CB 4.34Å; W221-I224 HydrophobicContact CE3-CG1 4.3Å; W221-I224 HydrophobicContact CE3-CG2 4.49Å; W221-I224 PolarHBondContact O-N 3.12Å; W221-E225 WeakPolarHBondContact O-CB 3.39Å; W221-E225 PolarHBondContact O-N 2.83Å; W221-L550 HydrophobicContact CB-CD1 4.21Å; W221-L550 HydrophobicContact CD2-CD1 4.5Å; W221-L550 HydrophobicContact CD2-CD2 3.86Å; W221-L550 HydrophobicContact CD2-CG 4.39Å; W221-L550 HydrophobicContact CG-CD1 4.13Å; W221-L550 HydrophobicContact CG-CD2 3.96Å; W221-L550 HydrophobicContact CG-CG 4.46Å; W221-L550 HydrophobicContact CZ2-CD2 4.23Å; W221-I554 HydrophobicContact CB-CD1 4.12Å; W221-I554 HydrophobicContact CD2-CD1 4.42Å; W221-I554 HydrophobicContact CE3-CD1 3.83Å |
| 222 | T | 96.8 | Very high | 93.9 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 174.5 | -41.4 | 0 | 0 | 0 | 0 | 109.9 | D220 E225 C226 | D220-T222 PolarHBondContact O-N 3.03Å; D220-T222 VanDerWaalsContact OD1-CA 3.31Å; D220-T222 WeakPolarHBondContact OD1-CA 3.49Å; D220-T222 WeakPolarHBondContact OD1-CB 3.23Å; D220-T222 PolarHBondContact OD1-N 2.81Å; D220-T222 PolarHBondContact OD1-OG1 3.16Å; D220-T222 VanDerWaalsContact OD1-OG1 3.1Å; T222-E225 PolarHBondContact O-N 2.9Å; T222-C226 WeakPolarHBondContact O-CB 3.26Å; T222-C226 PolarHBondContact O-N 2.97Å; T222-C226 PolarHBondContact O-SG 2.62Å; T222-C226 VanDerWaalsContact O-SG 3.4Å |
| 223 | D | 96.9 | Very high | 93.7 | Very high | 40 Ų | 40 | 61.6 Ų | 61.6 | 21% | 0.214 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 175.7 | -58.6 | -50.6 | 0 | 0 | 0 | 110.6 | F165 K217 V219 D220 C226 F227 | F165-D223 HydrophobicContact CE1-CB 3.88Å; F165-D223 HydrophobicContact CZ-CB 3.96Å; K217-D223 IonicContact NZ-OD1 3.76Å; K217-D223 PolarHBondContact NZ-OD1 3.38Å; K217-D223 IonicContact NZ-OD2 2.6Å; K217-D223 PolarHBondContact NZ-OD2 3.35Å; V219-D223 HydrophobicContact CG1-CB 4.15Å; D220-D223 PolarHBondContact N-OD2 3.36Å; D220-D223 WeakPolarHBondContact O-CB 3.28Å; D220-D223 PolarHBondContact O-N 3.44Å; D220-D223 VanDerWaalsContact O-N 3.07Å; D220-D223 PolarHBondContact OD1-N 2.82Å; D223-C226 PolarHBondContact O-N 3.49Å; D223-F227 WeakPolarHBondContact O-CB 3.23Å; D223-F227 PolarHBondContact O-N 2.9Å |
| 224 | I | 97.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 175.2 | -54.6 | -57.6 | 0 | 0 | 0 | 111.6 | F165 W168 L188 V206 V219 D220 W221 C226 F227 V228 I554 F555 | F165-I224 HydrophobicContact CD2-CD1 4.04Å; F165-I224 HydrophobicContact CE2-CD1 3.69Å; W168-I224 HydrophobicContact CH2-CD1 3.55Å; W168-I224 HydrophobicContact CZ3-CD1 3.59Å; L188-I224 HydrophobicContact CD1-CG2 4.44Å; V206-I224 HydrophobicContact CG1-CG1 4.46Å; V206-I224 HydrophobicContact CG2-CG1 4.17Å; V219-I224 HydrophobicContact CG1-CD1 4.22Å; D220-I224 PolarHBondContact O-N 2.89Å; W221-I224 HydrophobicContact CE3-CB 4.34Å; W221-I224 HydrophobicContact CE3-CG1 4.3Å; W221-I224 HydrophobicContact CE3-CG2 4.49Å; W221-I224 PolarHBondContact O-N 3.12Å; I224-C226 VanDerWaalsContact C-N 3.33Å; I224-C226 PolarHBondContact O-N 2.79Å; I224-F227 PolarHBondContact O-N 2.6Å; I224-F227 VanDerWaalsContact O-N 3.12Å; I224-V228 HydrophobicContact CG2-CG2 4.38Å; I224-V228 WeakPolarHBondContact O-CG2 3.43Å; I224-V228 PolarHBondContact O-N 2.77Å; I224-I554 HydrophobicContact CG2-CG2 4.2Å; I224-F555 HydrophobicContact CG2-CZ 4.02Å |
| 225 | E | 97.9 | Very high | 93.8 | Very high | 32 Ų | 32 | 56 Ų | 56 | 15% | 0.15 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 177.8 | -171.8 | -178.8 | 159.2 | 0 | 0 | 111.5 | W221 T222 F227 K229 K553 I554 | W221-E225 WeakPolarHBondContact O-CB 3.39Å; W221-E225 PolarHBondContact O-N 2.83Å; T222-E225 PolarHBondContact O-N 2.9Å; E225-F227 VanDerWaalsContact C-N 3.32Å; E225-F227 PolarHBondContact O-N 2.93Å; E225-K229 HydrophobicContact CG-CD 4.5Å; E225-K229 WeakPolarHBondContact O-CB 3.49Å; E225-K229 WeakPolarHBondContact O-CG 3.45Å; E225-K229 PolarHBondContact O-N 3.31Å; E225-K229 WeakPolarHBondContact OE1-CE 3.42Å; E225-K229 IonicContact OE1-NZ 3.46Å; E225-K229 PolarHBondContact OE1-NZ 3.05Å; E225-K553 IonicContact OE1-NZ 3.67Å; E225-K553 WeakPolarHBondContact OE2-CE 3.38Å; E225-K553 IonicContact OE2-NZ 3.89Å; E225-K553 PolarHBondContact OE2-NZ 3.05Å; E225-I554 HydrophobicContact CB-CD1 4.38Å; E225-I554 HydrophobicContact CB-CG1 4.05Å; E225-I554 HydrophobicContact CG-CG1 4.19Å |
| 226 | C | 97.5 | Very high | 93.8 | Very high | 79 Ų | 79 | 54.3 Ų | 54.3 | 53% | 0.534 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 173.8 | -77.5 | 0 | 0 | 0 | 0 | 112 | T222 D223 I224 H230 | T222-C226 WeakPolarHBondContact O-CB 3.26Å; T222-C226 PolarHBondContact O-N 2.97Å; T222-C226 PolarHBondContact O-SG 2.62Å; T222-C226 VanDerWaalsContact O-SG 3.4Å; D223-C226 PolarHBondContact O-N 3.49Å; I224-C226 VanDerWaalsContact C-N 3.33Å; I224-C226 PolarHBondContact O-N 2.79Å; C226-H230 PolarHBondContact O-N 3.26Å |
| 227 | F | 97 | Very high | 94.1 | Very high | 22 Ų | 22 | 47 Ų | 47 | 10% | 0.096 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.4 | -43.3 | 178.4 | -172.1 | -108.1 | 0 | 0 | 0 | 112.9 | F165 W168 E169 L172 D223 I224 E225 K229 H230 L231 | F165-F227 HydrophobicContact CE2-CB 4.09Å; F165-F227 HydrophobicContact CE2-CG 4.23Å; F165-F227 HydrophobicContact CZ-CB 3.89Å; F165-F227 HydrophobicContact CZ-CG 4.3Å; W168-F227 HydrophobicContact CB-CZ 4.25Å; W168-F227 HydrophobicContact CE3-CD1 4.09Å; W168-F227 HydrophobicContact CE3-CE1 4.03Å; E169-F227 HydrophobicContact CB-CE2 4.3Å; L172-F227 HydrophobicContact CD1-CE1 3.52Å; L172-F227 HydrophobicContact CD1-CZ 3.69Å; D223-F227 WeakPolarHBondContact O-CB 3.23Å; D223-F227 PolarHBondContact O-N 2.9Å; I224-F227 PolarHBondContact O-N 2.6Å; I224-F227 VanDerWaalsContact O-N 3.12Å; E225-F227 VanDerWaalsContact C-N 3.32Å; E225-F227 PolarHBondContact O-N 2.93Å; F227-K229 VanDerWaalsContact C-N 3.31Å; F227-K229 PolarHBondContact O-N 3.32Å; F227-H230 WeakPolarHBondContact O-CA 3.18Å; F227-H230 VanDerWaalsContact O-CB 3.27Å; F227-H230 WeakPolarHBondContact O-CB 3.4Å; F227-H230 PolarHBondContact O-N 3.03Å; F227-L231 HydrophobicContact CD1-CD1 4.14Å; F227-L231 HydrophobicContact CD1-CG 4.44Å; F227-L231 HydrophobicContact CE1-CD1 3.82Å; F227-L231 HydrophobicContact CE1-CD2 4.28Å; F227-L231 HydrophobicContact CE1-CG 4.13Å; F227-L231 HydrophobicContact CZ-CD1 4.49Å; F227-L231 HydrophobicContact CZ-CD2 4.13Å; F227-L231 HydrophobicContact CZ-CG 4.39Å; F227-L231 WeakPolarHBondContact O-CG 3.48Å; F227-L231 PolarHBondContact O-N 2.99Å |
| 228 | V | 96.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 175.1 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | I224 H230 L231 E232 I554 F555 | I224-V228 HydrophobicContact CG2-CG2 4.38Å; I224-V228 WeakPolarHBondContact O-CG2 3.43Å; I224-V228 PolarHBondContact O-N 2.77Å; V228-H230 VanDerWaalsContact C-N 3.29Å; V228-H230 PolarHBondContact O-N 3.2Å; V228-L231 PolarHBondContact O-N 2.97Å; V228-E232 PolarHBondContact O-N 2.84Å; V228-I554 HydrophobicContact CB-CG2 4.25Å; V228-I554 VanDerWaalsContact CG1-O 3.31Å; V228-I554 WeakPolarHBondContact CG1-O 3.35Å; V228-I554 HydrophobicContact CG2-CG2 3.9Å; V228-F555 HydrophobicContact CG2-CD1 4.29Å; V228-F555 HydrophobicContact CG2-CE1 3.82Å; V228-F555 HydrophobicContact CG2-CZ 4.3Å |
| 229 | K | 94.7 | Very high | 94.6 | Very high | 97 Ų | 97 | 34.6 Ų | 34.6 | 42% | 0.422 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.6 | -33.9 | 171.8 | -73.6 | 174.4 | -173.9 | 167.1 | 0 | 112.5 | E225 F227 N233 | E225-K229 HydrophobicContact CG-CD 4.5Å; E225-K229 WeakPolarHBondContact O-CB 3.49Å; E225-K229 WeakPolarHBondContact O-CG 3.45Å; E225-K229 PolarHBondContact O-N 3.31Å; E225-K229 WeakPolarHBondContact OE1-CE 3.42Å; E225-K229 IonicContact OE1-NZ 3.46Å; E225-K229 PolarHBondContact OE1-NZ 3.05Å; F227-K229 VanDerWaalsContact C-N 3.31Å; F227-K229 PolarHBondContact O-N 3.32Å; K229-N233 WeakPolarHBondContact O-CB 3.47Å; K229-N233 PolarHBondContact O-N 3.02Å; K229-N233 PolarHBondContact O-ND2 3.49Å |
| 230 | H | 94 | Very high | 94.7 | Very high | 54 Ų | 54 | 33.9 Ų | 33.9 | 25% | 0.25 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 173.3 | 171.5 | 100.8 | 0 | 0 | 0 | 110.9 | E169 C226 F227 V228 E232 N234 W235 | E169-H230 IonicContact OE1-NE2 3.63Å; C226-H230 PolarHBondContact O-N 3.26Å; F227-H230 WeakPolarHBondContact O-CA 3.18Å; F227-H230 VanDerWaalsContact O-CB 3.27Å; F227-H230 WeakPolarHBondContact O-CB 3.4Å; F227-H230 PolarHBondContact O-N 3.03Å; V228-H230 VanDerWaalsContact C-N 3.29Å; V228-H230 PolarHBondContact O-N 3.2Å; H230-E232 PolarHBondContact O-N 3.45Å; H230-N234 PolarHBondContact CE1-ND2 3.49Å; H230-N234 PolarHBondContact ND1-ND2 2.94Å; H230-N234 VanDerWaalsContact O-CB 3.24Å; H230-N234 WeakPolarHBondContact O-CB 3.27Å; H230-N234 PolarHBondContact O-N 3.48Å; H230-N234 PolarHBondContact O-ND2 3.48Å; H230-W235 AromaticContact NE2-CE2 3.96Å; H230-W235 AromaticContact NE2-NE1 3.41Å; H230-W235 PolarHBondContact NE2-NE1 2.88Å |
| 231 | L | 93.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 176.7 | -63.2 | 174.3 | 0 | 0 | 0 | 111.8 | I183 F185 F227 V228 W235 A236 V237 | I183-L231 HydrophobicContact CD1-CD1 3.86Å; I183-L231 HydrophobicContact CD1-CD2 4.37Å; F185-L231 HydrophobicContact CE2-CD1 4.46Å; F185-L231 HydrophobicContact CZ-CD1 4.3Å; F227-L231 HydrophobicContact CD1-CD1 4.14Å; F227-L231 HydrophobicContact CD1-CG 4.44Å; F227-L231 HydrophobicContact CE1-CD1 3.82Å; F227-L231 HydrophobicContact CE1-CD2 4.28Å; F227-L231 HydrophobicContact CE1-CG 4.13Å; F227-L231 HydrophobicContact CZ-CD1 4.49Å; F227-L231 HydrophobicContact CZ-CD2 4.13Å; F227-L231 HydrophobicContact CZ-CG 4.39Å; F227-L231 WeakPolarHBondContact O-CG 3.48Å; F227-L231 PolarHBondContact O-N 2.99Å; V228-L231 PolarHBondContact O-N 2.97Å; L231-W235 HydrophobicContact CD2-CD2 3.96Å; L231-W235 HydrophobicContact CD2-CE3 3.51Å; L231-W235 HydrophobicContact CD2-CH2 4.36Å; L231-W235 HydrophobicContact CD2-CZ3 3.74Å; L231-W235 CarbonylContact O-C 3.48Å; L231-W235 WeakPolarHBondContact O-CA 3.41Å; L231-W235 WeakPolarHBondContact O-CB 3.45Å; L231-W235 PolarHBondContact O-N 3.48Å; L231-W235 VanDerWaalsContact O-N 3.08Å; L231-A236 PolarHBondContact O-N 3.2Å; L231-V237 CarbonylContact C-O 3.59Å; L231-V237 VanDerWaalsContact C-O 3.23Å; L231-V237 PolarHBondContact O-N 2.88Å; L231-V237 VanDerWaalsContact O-N 3.1Å |
| 232 | E | 91.8 | Very high | 94.8 | Very high | 43 Ų | 43 | 29.7 Ų | 29.7 | 20% | 0.201 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -50.5 | 179.4 | -176.6 | -167.5 | 176.6 | 0 | 0 | 112 | V228 H230 A236 V237 L238 H556 | V228-E232 PolarHBondContact O-N 2.84Å; H230-E232 PolarHBondContact O-N 3.45Å; E232-A236 WeakPolarHBondContact O-CA 3.45Å; E232-A236 PolarHBondContact O-N 3.47Å; E232-V237 WeakPolarHBondContact CA-O 3.37Å; E232-V237 PolarHBondContact N-O 2.82Å; E232-L238 HydrophobicContact CG-CD2 4.08Å; E232-H556 IonicContact OE1-NE2 2.74Å; E232-H556 IonicContact OE2-CE1 3.96Å; E232-H556 IonicContact OE2-NE2 3.62Å; E232-H556 PolarHBondContact OE2-NE2 3.3Å |
| 233 | N | 89.5 | Confident | 94.8 | Very high | 55 Ų | 55 | 25.7 Ų | 25.7 | 29% | 0.294 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -85.4 | -29 | -169.5 | -67.6 | -62 | 0 | 0 | 0 | 114 | K132 K229 | K132-N233 CarbonylContact O-C 3.42Å; K229-N233 WeakPolarHBondContact O-CB 3.47Å; K229-N233 PolarHBondContact O-N 3.02Å; K229-N233 PolarHBondContact O-ND2 3.49Å |
| 234 | N | 88.7 | Confident | 94.8 | Very high | 74 Ų | 74 | 23.8 Ų | 23.8 | 40% | 0.396 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -104.1 | -31.5 | -175.1 | -57.7 | -45.4 | 0 | 0 | 0 | 112.6 | H230 | H230-N234 PolarHBondContact CE1-ND2 3.49Å; H230-N234 PolarHBondContact ND1-ND2 2.94Å; H230-N234 VanDerWaalsContact O-CB 3.24Å; H230-N234 WeakPolarHBondContact O-CB 3.27Å; H230-N234 PolarHBondContact O-N 3.48Å; H230-N234 PolarHBondContact O-ND2 3.48Å |
| 235 | W | 89.9 | Confident | 94.7 | Very high | 19 Ų | 19 | 23.8 Ų | 23.8 | 7% | 0.072 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -108.1 | -9.1 | -177.2 | -63.1 | 12.8 | 0 | 0 | 0 | 112.6 | E169 L172 H173 R176 H230 L231 V237 | E169-W235 HydrophobicContact CG-CH2 3.86Å; E169-W235 HydrophobicContact CG-CZ2 3.57Å; L172-W235 HydrophobicContact CB-CH2 4.48Å; L172-W235 HydrophobicContact CB-CZ3 4.22Å; H173-W235 AromaticContact CE1-CH2 3.86Å; H173-W235 AromaticContact CE1-CZ2 3.46Å; H173-W235 VanDerWaalsContact CE1-CZ2 3.46Å; H173-W235 WeakPolarHBondContact CE1-CZ2 3.28Å; H173-W235 AromaticContact ND1-CH2 3.39Å; H173-W235 WeakPolarHBondContact ND1-CH2 3.09Å; H173-W235 AromaticContact ND1-CZ2 3.41Å; H173-W235 WeakPolarHBondContact ND1-CZ2 3.43Å; R176-W235 HydrophobicContact CB-CD2 4.28Å; R176-W235 HydrophobicContact CB-CE3 3.92Å; R176-W235 HydrophobicContact CB-CZ3 4.23Å; H230-W235 AromaticContact NE2-CE2 3.96Å; H230-W235 AromaticContact NE2-NE1 3.41Å; H230-W235 PolarHBondContact NE2-NE1 2.88Å; L231-W235 HydrophobicContact CD2-CD2 3.96Å; L231-W235 HydrophobicContact CD2-CE3 3.51Å; L231-W235 HydrophobicContact CD2-CH2 4.36Å; L231-W235 HydrophobicContact CD2-CZ3 3.74Å; L231-W235 CarbonylContact O-C 3.48Å; L231-W235 WeakPolarHBondContact O-CA 3.41Å; L231-W235 WeakPolarHBondContact O-CB 3.45Å; L231-W235 PolarHBondContact O-N 3.48Å; L231-W235 VanDerWaalsContact O-N 3.08Å; W235-V237 HydrophobicContact CB-CB 4.19Å; W235-V237 HydrophobicContact CB-CG2 3.9Å; W235-V237 PolarHBondContact O-N 3.44Å |
| 236 | A | 89.4 | Confident | 94.5 | Very high | 10 Ų | 10 | 22.3 Ų | 22.3 | 8% | 0.083 | 12% | 0.116 | C | C | . | . | trans | 54.5 | 36.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q133 L231 E232 | Q133-A236 HydrophobicContact CB-CB 4.15Å; L231-A236 PolarHBondContact O-N 3.2Å; E232-A236 WeakPolarHBondContact O-CA 3.45Å; E232-A236 PolarHBondContact O-N 3.47Å | ||
| 237 | V | 93.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.018 | 9% | 0.091 | C | C | . | . | trans | -113.9 | 124.6 | -178.8 | 171.5 | 0 | 0 | 0 | 0 | 109.2 | V175 N181 I183 L231 E232 W235 | V175-V237 HydrophobicContact CG1-CG1 3.97Å; V175-V237 HydrophobicContact CG1-CG2 4.2Å; N181-V237 WeakPolarHBondContact O-CA 3.3Å; I183-V237 HydrophobicContact CD1-CG1 3.88Å; I183-V237 HydrophobicContact CG1-CG1 3.57Å; L231-V237 CarbonylContact C-O 3.59Å; L231-V237 VanDerWaalsContact C-O 3.23Å; L231-V237 PolarHBondContact O-N 2.88Å; L231-V237 VanDerWaalsContact O-N 3.1Å; E232-V237 WeakPolarHBondContact CA-O 3.37Å; E232-V237 PolarHBondContact N-O 2.82Å; W235-V237 HydrophobicContact CB-CB 4.19Å; W235-V237 HydrophobicContact CB-CG2 3.9Å; W235-V237 PolarHBondContact O-N 3.44Å | ||
| 238 | L | 95.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 170.2 | 175.5 | -57.3 | -173.4 | 0 | 0 | 0 | 111.1 | F129 W147 N181 M182 I183 E232 H556 | F129-L238 HydrophobicContact CB-CD1 4.01Å; F129-L238 HydrophobicContact CD1-CD1 3.8Å; F129-L238 HydrophobicContact CG-CD1 4.16Å; W147-L238 HydrophobicContact CH2-CD1 4.38Å; W147-L238 HydrophobicContact CH2-CG 4.17Å; W147-L238 HydrophobicContact CZ2-CD1 3.76Å; W147-L238 HydrophobicContact CZ2-CG 3.84Å; N181-L238 PolarHBondContact O-N 2.97Å; M182-L238 CarbonylContact C-O 3.56Å; M182-L238 VanDerWaalsContact CA-O 3.32Å; M182-L238 WeakPolarHBondContact CA-O 3.46Å; M182-L238 HydrophobicContact CE-CB 3.99Å; M182-L238 HydrophobicContact CE-CD1 4.26Å; M182-L238 HydrophobicContact CG-CB 4.43Å; I183-L238 PolarHBondContact N-O 3.16Å; E232-L238 HydrophobicContact CG-CD2 4.08Å; L238-H556 HydrophobicContact CB-CB 4.11Å; L238-H556 HydrophobicContact CD1-CB 4.38Å |
| 239 | S | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.7 | -177.5 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | I183 H556 A557 | I183-S239 CarbonylContact O-C 3.5Å; I183-S239 WeakPolarHBondContact O-CA 3.43Å; S239-H556 PolarHBondContact O-N 2.98Å; S239-A557 PolarHBondContact O-N 3.39Å |
| 240 | M | 97.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 146.3 | 173 | -173.4 | 164.4 | 75.1 | 0 | 0 | 109.1 | L154 M182 I183 H184 F185 A557 R559 V588 | L154-M240 HydrophobicContact CD2-CE 4.18Å; M182-M240 HydrophobicContact SD-CB 4.3Å; I183-M240 PolarHBondContact O-N 2.76Å; H184-M240 WeakPolarHBondContact CA-O 3.47Å; H184-M240 HydrophobicContact CB-CB 4.37Å; H184-M240 HydrophobicContact CB-CE 3.69Å; H184-M240 WeakPolarHBondContact CD2-CE 3.48Å; F185-M240 PolarHBondContact N-O 2.79Å; M240-A557 VanDerWaalsContact CA-O 3.31Å; M240-A557 WeakPolarHBondContact CA-O 3.37Å; M240-A557 HydrophobicContact CB-CB 3.73Å; M240-A557 HydrophobicContact CG-CB 3.71Å; M240-A557 HydrophobicContact SD-CB 4.02Å; M240-R559 HydrophobicContact CE-CB 4.21Å; M240-R559 HydrophobicContact SD-CB 4.24Å; M240-V588 HydrophobicContact SD-CB 4.15Å; M240-V588 HydrophobicContact SD-CG2 3.88Å |
| 241 | T | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 160.9 | 167.3 | -168.4 | 0 | 0 | 0 | 0 | 111.1 | F185 T551 F555 A557 V558 R559 | F185-T241 VanDerWaalsContact O-CA 3.27Å; F185-T241 WeakPolarHBondContact O-CA 3.2Å; F185-T241 PolarHBondContact O-OG1 2.8Å; T241-T551 HydrophobicContact CG2-CG2 3.29Å; T241-F555 HydrophobicContact CG2-CB 4.19Å; T241-F555 HydrophobicContact CG2-CD1 4.08Å; T241-F555 HydrophobicContact CG2-CD2 3.33Å; T241-F555 HydrophobicContact CG2-CE1 4.37Å; T241-F555 HydrophobicContact CG2-CE2 3.67Å; T241-F555 HydrophobicContact CG2-CG 3.58Å; T241-F555 HydrophobicContact CG2-CZ 4.21Å; T241-A557 PolarHBondContact N-O 2.92Å; T241-V558 CarbonylContact O-C 3.56Å; T241-V558 VanDerWaalsContact O-CA 3.25Å; T241-V558 WeakPolarHBondContact O-CA 3.49Å; T241-R559 PolarHBondContact O-N 3.47Å |
| 242 | D | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 151.1 | 176.4 | -69.7 | -83.3 | 0 | 0 | 0 | 114.2 | H184 T186 P187 Y198 Y547 R559 | H184-D242 IonicContact CE1-OD2 2.73Å; H184-D242 IonicContact NE2-OD1 3.04Å; H184-D242 IonicContact NE2-OD2 3.77Å; H184-D242 PolarHBondContact NE2-OD2 2.74Å; T186-D242 WeakPolarHBondContact CA-OD2 3.35Å; P187-D242 HydrophobicContact CG-CB 3.87Å; Y198-D242 HydrophobicContact CE1-CB 4.12Å; Y198-D242 PolarHBondContact OH-OD2 2.98Å; D242-Y547 PolarHBondContact O-OH 2.93Å; D242-Y547 VanDerWaalsContact O-OH 3.09Å; D242-R559 CarbonylContact C-O 3.37Å; D242-R559 VanDerWaalsContact CA-O 3.29Å; D242-R559 WeakPolarHBondContact CA-O 3.23Å; D242-R559 WeakPolarHBondContact OD1-CB 3.41Å; D242-R559 WeakPolarHBondContact OD1-CD 3.32Å; D242-R559 VanDerWaalsContact OD1-CG 3.25Å; D242-R559 WeakPolarHBondContact OD1-CG 3.49Å; D242-R559 IonicContact OD1-CZ 2.96Å; D242-R559 IonicContact OD1-NE 2.59Å; D242-R559 IonicContact OD1-NH1 3.56Å; D242-R559 PolarHBondContact OD1-NH1 3.4Å |
| 243 | L | 97.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 115.3 | 162.7 | -74.1 | 168.5 | 0 | 0 | 0 | 108.4 | F245 Y547 T548 T551 V558 R559 L560 D561 | L243-F245 HydrophobicContact CB-CE1 4.06Å; L243-F245 HydrophobicContact CB-CE2 3.97Å; L243-F245 HydrophobicContact CB-CZ 3.68Å; L243-F245 HydrophobicContact CD1-CE2 4.29Å; L243-F245 HydrophobicContact CD1-CZ 3.78Å; L243-F245 HydrophobicContact CD2-CE1 4.1Å; L243-F245 HydrophobicContact CD2-CZ 4.03Å; L243-F245 HydrophobicContact CG-CE1 4.5Å; L243-F245 HydrophobicContact CG-CZ 4.04Å; L243-Y547 HydrophobicContact CD2-CD1 4.38Å; L243-Y547 HydrophobicContact CD2-CD2 4.44Å; L243-Y547 HydrophobicContact CD2-CE1 4.1Å; L243-Y547 HydrophobicContact CD2-CE2 4.07Å; L243-T548 HydrophobicContact CD1-CG2 4.29Å; L243-T551 HydrophobicContact CD2-CG2 3.92Å; L243-T551 HydrophobicContact CG-CG2 4.24Å; L243-V558 HydrophobicContact CD1-CB 3.78Å; L243-V558 HydrophobicContact CD1-CG1 3.78Å; L243-V558 HydrophobicContact CD1-CG2 3.97Å; L243-V558 HydrophobicContact CG-CB 4.27Å; L243-V558 HydrophobicContact CG-CG1 4.2Å; L243-R559 PolarHBondContact N-O 3.11Å; L243-L560 HydrophobicContact CB-CD2 4.03Å; L243-L560 HydrophobicContact CD1-CD2 4.14Å; L243-D561 PolarHBondContact O-N 3.03Å |
| 244 | V | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -105.2 | 100.8 | -178.9 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | P187 Y198 L200 H247 D561 | P187-V244 HydrophobicContact CG-CG2 3.98Å; Y198-V244 HydrophobicContact CD1-CG2 3.9Å; L200-V244 HydrophobicContact CD1-CB 4.12Å; L200-V244 HydrophobicContact CD1-CG2 4.13Å; V244-H247 VanDerWaalsContact CG1-CE1 3.49Å; V244-H247 WeakPolarHBondContact CG1-CE1 3.23Å; V244-D561 HydrophobicContact CG2-CB 4.04Å | ||
| 245 | F | 95.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 8.9 Ų | 8.9 | 1% | 0.009 | 5% | 0.05 | C | C | . | . | trans | -101.7 | -23.5 | -175.6 | -64 | -40.1 | 0 | 0 | 0 | 114.3 | L243 L528 Y530 M544 Y547 T548 L560 T566 M574 | L243-F245 HydrophobicContact CB-CE1 4.06Å; L243-F245 HydrophobicContact CB-CE2 3.97Å; L243-F245 HydrophobicContact CB-CZ 3.68Å; L243-F245 HydrophobicContact CD1-CE2 4.29Å; L243-F245 HydrophobicContact CD1-CZ 3.78Å; L243-F245 HydrophobicContact CD2-CE1 4.1Å; L243-F245 HydrophobicContact CD2-CZ 4.03Å; L243-F245 HydrophobicContact CG-CE1 4.5Å; L243-F245 HydrophobicContact CG-CZ 4.04Å; F245-L528 WeakPolarHBondContact O-CD1 3.11Å; F245-Y530 WeakPolarHBondContact O-CE2 3.4Å; F245-Y530 PolarHBondContact O-OH 3.46Å; F245-M544 HydrophobicContact CD1-SD 4.38Å; F245-Y547 HydrophobicContact CE1-CD1 4.49Å; F245-T548 VanDerWaalsContact CE1-OG1 3.26Å; F245-T548 WeakPolarHBondContact CE1-OG1 3.1Å; F245-T548 HydrophobicContact CZ-CG2 4.43Å; F245-T548 WeakPolarHBondContact CZ-OG1 2.97Å; F245-L560 HydrophobicContact CD2-CD2 4.36Å; F245-L560 HydrophobicContact CE2-CD2 3.79Å; F245-T566 HydrophobicContact CB-CG2 3.77Å; F245-T566 HydrophobicContact CD2-CG2 4.27Å; F245-T566 HydrophobicContact CG-CG2 4.5Å; F245-M574 HydrophobicContact CD1-CG 4.42Å; F245-M574 HydrophobicContact CD2-CG 4.48Å; F245-M574 HydrophobicContact CE1-CB 4.19Å; F245-M574 HydrophobicContact CE1-CG 3.99Å; F245-M574 HydrophobicContact CE2-CB 3.68Å; F245-M574 HydrophobicContact CE2-CG 4.04Å; F245-M574 HydrophobicContact CZ-CB 3.46Å; F245-M574 VanDerWaalsContact CZ-CB 3.46Å; F245-M574 HydrophobicContact CZ-CG 3.75Å | ||
| 246 | N | 93.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 10.4 Ų | 10.4 | 1% | 0.011 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -89.5 | -20.3 | -166.2 | 60.9 | 94.6 | 0 | 0 | 0 | 113.5 | N494 L528 D561 N562 | N246-N494 PolarHBondContact OD1-ND2 2.86Å; N246-L528 PolarHBondContact O-N 3.46Å; N246-D561 PolarHBondContact ND2-O 3.31Å; N246-N562 PolarHBondContact OD1-ND2 3.29Å |
| 247 | H | 95.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 165.6 | -179.7 | 63.1 | -81 | 0 | 0 | 0 | 113.7 | Y198 V244 N494 W522 V526 D561 | Y198-H247 PolarHBondContact O-NE2 2.93Å; V244-H247 VanDerWaalsContact CG1-CE1 3.49Å; V244-H247 WeakPolarHBondContact CG1-CE1 3.23Å; H247-N494 HydrophobicContact CB-CB 3.77Å; H247-N494 PolarHBondContact ND1-ND2 2.8Å; H247-W522 AromaticContact CE1-CZ3 3.67Å; H247-W522 AromaticContact ND1-CZ3 3.91Å; H247-V526 WeakPolarHBondContact CA-O 3.13Å; H247-V526 VanDerWaalsContact CB-O 3.26Å; H247-V526 WeakPolarHBondContact CB-O 3.29Å; H247-D561 IonicContact CE1-OD2 2.81Å |
| 248 | T | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 163 | 170.9 | -162.4 | 0 | 0 | 0 | 0 | 109.1 | L200 Q203 S252 W254 V255 S525 V526 L528 | L200-T248 PolarHBondContact O-OG1 3.33Å; Q203-T248 PolarHBondContact NE2-OG1 3.47Å; T248-S252 PolarHBondContact OG1-OG 2.88Å; T248-W254 HydrophobicContact CG2-CH2 3.93Å; T248-W254 HydrophobicContact CG2-CZ2 3.64Å; T248-W254 WeakPolarHBondContact OG1-CZ2 3.22Å; T248-V255 HydrophobicContact CG2-CB 4.39Å; T248-V255 HydrophobicContact CG2-CG2 4.29Å; T248-S525 CarbonylContact O-C 3.51Å; T248-S525 WeakPolarHBondContact O-CA 3.42Å; T248-V526 HydrophobicContact CG2-CG2 3.48Å; T248-V526 VanDerWaalsContact CG2-CG2 3.48Å; T248-V526 PolarHBondContact N-O 3.15Å; T248-V526 WeakPolarHBondContact O-CG2 3.49Å; T248-V526 PolarHBondContact O-N 2.77Å; T248-L528 HydrophobicContact CG2-CD2 3.82Å |
| 249 | S | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 141.4 | 178.2 | -157.1 | 0 | 0 | 0 | 0 | 112.1 | G192 S199 L200 D251 S252 D524 | G192-S249 WeakPolarHBondContact CA-OG 3.49Å; S199-S249 WeakPolarHBondContact OG-CA 3.26Å; S199-S249 WeakPolarHBondContact OG-CB 3.37Å; S199-S249 PolarHBondContact OG-OG 2.81Å; L200-S249 WeakPolarHBondContact O-CB 3.44Å; L200-S249 PolarHBondContact O-N 2.92Å; S249-D251 VanDerWaalsContact CB-OD1 3.25Å; S249-D251 WeakPolarHBondContact CB-OD1 3.4Å; S249-D251 PolarHBondContact O-N 3.45Å; S249-D251 PolarHBondContact OG-OD1 3.25Å; S249-S252 VanDerWaalsContact O-CB 3.23Å; S249-S252 WeakPolarHBondContact O-CB 3.27Å; S249-S252 PolarHBondContact O-N 3.1Å; S249-S252 VanDerWaalsContact O-N 3.13Å; S249-S252 PolarHBondContact O-OG 3.15Å; S249-D524 CarbonylContact C-O 3.5Å; S249-D524 WeakPolarHBondContact CA-O 3.33Å; S249-D524 PolarHBondContact OG-O 2.81Å |
| 250 | N | 94 | Very high | 95.7 | Very high | 14 Ų | 14 | 23 Ų | 23 | 8% | 0.075 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -13.2 | -176.8 | 75.3 | 17.1 | 0 | 0 | 0 | 113.7 | Y193 H256 Y466 F493 G523 D524 V526 | Y193-N250 WeakPolarHBondContact CE1-OD1 3.36Å; N250-H256 PolarHBondContact O-NE2 3.17Å; N250-Y466 HydrophobicContact CB-CD2 4.29Å; N250-F493 HydrophobicContact CB-CE1 3.95Å; N250-G523 PolarHBondContact ND2-O 3.13Å; N250-D524 PolarHBondContact N-O 2.92Å; N250-V526 HydrophobicContact CB-CG1 3.72Å |
| 251 | D | 94.4 | Very high | 95.6 | Very high | 48 Ų | 48 | 23 Ų | 23 | 26% | 0.257 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 9.5 | 176.3 | 72.3 | -19.9 | 0 | 0 | 0 | 113.3 | G192 Y193 S249 P253 | G192-D251 WeakPolarHBondContact CA-OD1 3.3Å; Y193-D251 WeakPolarHBondContact CB-OD2 3.44Å; Y193-D251 HydrophobicContact CD1-CB 4.05Å; Y193-D251 PolarHBondContact N-OD2 3.41Å; S249-D251 VanDerWaalsContact CB-OD1 3.25Å; S249-D251 WeakPolarHBondContact CB-OD1 3.4Å; S249-D251 PolarHBondContact O-N 3.45Å; S249-D251 PolarHBondContact OG-OD1 3.25Å; D251-P253 VanDerWaalsContact O-CD 3.25Å; D251-P253 WeakPolarHBondContact O-CD 3.32Å |
| 252 | S | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -64 | 113.5 | 177.6 | -61 | 0 | 0 | 0 | 0 | 111.1 | L200 K201 T248 S249 W254 V255 H256 | L200-S252 PolarHBondContact O-OG 3.2Å; K201-S252 WeakPolarHBondContact CA-OG 3.3Å; K201-S252 WeakPolarHBondContact O-CB 3.47Å; K201-S252 PolarHBondContact O-OG 3.33Å; T248-S252 PolarHBondContact OG1-OG 2.88Å; S249-S252 VanDerWaalsContact O-CB 3.23Å; S249-S252 WeakPolarHBondContact O-CB 3.27Å; S249-S252 PolarHBondContact O-N 3.1Å; S249-S252 VanDerWaalsContact O-N 3.13Å; S249-S252 PolarHBondContact O-OG 3.15Å; S252-W254 PolarHBondContact O-N 2.99Å; S252-W254 VanDerWaalsContact O-N 3.14Å; S252-V255 VanDerWaalsContact O-CG1 3.32Å; S252-V255 WeakPolarHBondContact O-CG1 3.36Å; S252-V255 PolarHBondContact O-N 3.32Å; S252-H256 PolarHBondContact O-CD2 3.38Å; S252-H256 VanDerWaalsContact O-CD2 3.28Å | ||
| 253 | P | 95.6 | Very high | 95.5 | Very high | 69 Ų | 69 | 23.7 Ų | 23.7 | 45% | 0.448 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -56.6 | -39.3 | -174.9 | -27.2 | 35.8 | 0 | 0 | 0 | 113.5 | D251 V255 H256 E257 | D251-P253 VanDerWaalsContact O-CD 3.25Å; D251-P253 WeakPolarHBondContact O-CD 3.32Å; P253-V255 VanDerWaalsContact C-N 3.29Å; P253-V255 PolarHBondContact O-N 2.69Å; P253-H256 PolarHBondContact O-N 2.77Å; P253-H256 VanDerWaalsContact O-N 3.15Å; P253-E257 PolarHBondContact O-N 3.35Å; P253-E257 VanDerWaalsContact O-N 3.09Å |
| 254 | W | 95.5 | Very high | 95.4 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.1 | -28.4 | -178.9 | 66.6 | -94.5 | 0 | 0 | 0 | 113.6 | K201 T248 S252 H256 E257 H258 C261 L528 Y539 L540 R543 M544 | K201-W254 PolarHBondContact O-NE1 3.09Å; K201-W254 VanDerWaalsContact O-NE1 3.13Å; T248-W254 HydrophobicContact CG2-CH2 3.93Å; T248-W254 HydrophobicContact CG2-CZ2 3.64Å; T248-W254 WeakPolarHBondContact OG1-CZ2 3.22Å; S252-W254 PolarHBondContact O-N 2.99Å; S252-W254 VanDerWaalsContact O-N 3.14Å; W254-H256 VanDerWaalsContact C-N 3.31Å; W254-E257 PolarHBondContact O-N 2.95Å; W254-H258 WeakPolarHBondContact O-CB 3.36Å; W254-H258 PolarHBondContact O-N 2.94Å; W254-C261 HydrophobicContact CZ3-CB 3.87Å; W254-L528 HydrophobicContact CH2-CD2 3.77Å; W254-L528 HydrophobicContact CZ3-CD2 4.47Å; W254-Y539 HydrophobicContact CB-CE1 4.18Å; W254-Y539 HydrophobicContact CD2-CE1 4.24Å; W254-Y539 HydrophobicContact CE3-CD1 4.18Å; W254-Y539 AromaticContact CE3-CE1 3.63Å; W254-Y539 HydrophobicContact CE3-CE1 3.63Å; W254-Y539 HydrophobicContact CZ3-CE1 4.35Å; W254-L540 HydrophobicContact CH2-CD1 4.09Å; W254-L540 HydrophobicContact CZ3-CD1 4.3Å; W254-R543 VanDerWaalsContact CE2-NE 3.3Å; W254-M544 HydrophobicContact CH2-CE 4.34Å; W254-M544 HydrophobicContact CZ2-CE 4.48Å |
| 255 | V | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -75.2 | -26.2 | 178.2 | 88.4 | 0 | 0 | 0 | 0 | 111.3 | T248 S252 P253 H258 P259 C261 A262 M491 V526 | T248-V255 HydrophobicContact CG2-CB 4.39Å; T248-V255 HydrophobicContact CG2-CG2 4.29Å; S252-V255 VanDerWaalsContact O-CG1 3.32Å; S252-V255 WeakPolarHBondContact O-CG1 3.36Å; S252-V255 PolarHBondContact O-N 3.32Å; P253-V255 VanDerWaalsContact C-N 3.29Å; P253-V255 PolarHBondContact O-N 2.69Å; V255-H258 CarbonylContact O-C 3.16Å; V255-P259 WeakPolarHBondContact O-CA 3.46Å; V255-P259 VanDerWaalsContact O-N 3.13Å; V255-C261 HydrophobicContact CG2-CB 4.48Å; V255-A262 HydrophobicContact CG2-CB 4.12Å; V255-M491 HydrophobicContact CG1-CE 4.16Å; V255-M491 HydrophobicContact CG1-SD 4.08Å; V255-M491 HydrophobicContact CG2-SD 4.08Å; V255-V526 HydrophobicContact CG1-CG2 4.42Å; V255-V526 HydrophobicContact CG2-CG2 4.21Å |
| 256 | H | 94 | Very high | 95.1 | Very high | 51 Ų | 51 | 27.8 Ų | 27.8 | 24% | 0.236 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -80.9 | -29.3 | 173.7 | -65.8 | -78 | 0 | 0 | 0 | 112.4 | N250 S252 P253 W254 Y466 M491 | N250-H256 PolarHBondContact O-NE2 3.17Å; S252-H256 PolarHBondContact O-CD2 3.38Å; S252-H256 VanDerWaalsContact O-CD2 3.28Å; P253-H256 PolarHBondContact O-N 2.77Å; P253-H256 VanDerWaalsContact O-N 3.15Å; W254-H256 VanDerWaalsContact C-N 3.31Å; H256-Y466 AromaticContact CE1-CE1 3.71Å; H256-Y466 AromaticContact CE1-CZ 3.69Å; H256-M491 VanDerWaalsContact CE1-CE 3.48Å; H256-M491 WeakPolarHBondContact CE1-CE 3.46Å |
| 257 | E | 95 | Very high | 95.1 | Very high | 135 Ų | 135 | 29.5 Ų | 29.5 | 63% | 0.631 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -72 | -34.4 | 170.1 | -69 | 172.1 | -175.6 | 0 | 0 | 111.8 | P253 W254 P259 | P253-E257 PolarHBondContact O-N 3.35Å; P253-E257 VanDerWaalsContact O-N 3.09Å; W254-E257 PolarHBondContact O-N 2.95Å; E257-P259 VanDerWaalsContact C-CD 3.45Å; E257-P259 WeakPolarHBondContact O-CD 3.16Å |
| 258 | H | 95.7 | Very high | 95 | Very high | 54 Ų | 54 | 29.6 Ų | 29.6 | 25% | 0.25 | 16% | 0.155 | C | C | . | . | trans | -124.1 | 65.8 | -179.4 | -68.1 | -79.1 | 0 | 0 | 0 | 112 | W254 V255 E260 C261 Y539 | W254-H258 WeakPolarHBondContact O-CB 3.36Å; W254-H258 PolarHBondContact O-N 2.94Å; V255-H258 CarbonylContact O-C 3.16Å; H258-E260 WeakPolarHBondContact CA-OE2 3.28Å; H258-E260 WeakPolarHBondContact CB-OE1 3.24Å; H258-E260 IonicContact CG-OE1 3.55Å; H258-E260 IonicContact ND1-OE1 3.31Å; H258-E260 PolarHBondContact ND1-OE1 3.08Å; H258-E260 PolarHBondContact O-N 3.24Å; H258-E260 VanDerWaalsContact O-N 3.08Å; H258-C261 VanDerWaalsContact O-CB 3.23Å; H258-C261 WeakPolarHBondContact O-CB 3.42Å; H258-C261 PolarHBondContact O-N 2.96Å; H258-C261 PolarHBondContact O-SG 2.81Å; H258-C261 VanDerWaalsContact O-SG 3.38Å; H258-Y539 HydrophobicContact CB-CD1 4.09Å; H258-Y539 HydrophobicContact CB-CG 4.31Å; H258-Y539 AromaticContact CD2-CD1 3.89Å; H258-Y539 AromaticContact CD2-CD2 3.57Å; H258-Y539 AromaticContact CD2-CE1 3.9Å; H258-Y539 AromaticContact CD2-CE2 3.56Å; H258-Y539 AromaticContact CD2-CG 3.74Å; H258-Y539 AromaticContact CD2-CZ 3.73Å; H258-Y539 AromaticContact CE1-CD2 3.7Å; H258-Y539 AromaticContact CG-CD1 3.91Å; H258-Y539 AromaticContact CG-CD2 3.98Å; H258-Y539 AromaticContact CG-CG 3.73Å; H258-Y539 AromaticContact ND1-CG 3.94Å; H258-Y539 AromaticContact NE2-CD2 3.37Å; H258-Y539 WeakPolarHBondContact NE2-CD2 3.31Å; H258-Y539 AromaticContact NE2-CE2 3.45Å; H258-Y539 WeakPolarHBondContact NE2-CE2 3.43Å; H258-Y539 AromaticContact NE2-CG 3.94Å | ||
| 259 | P | 94.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 30.4 Ų | 30.4 | 16% | 0.162 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -61.2 | -20.3 | -176 | 24.4 | -33.7 | 0 | 0 | 0 | 113.7 | V255 E257 C261 A262 N264 A488 | V255-P259 WeakPolarHBondContact O-CA 3.46Å; V255-P259 VanDerWaalsContact O-N 3.13Å; E257-P259 VanDerWaalsContact C-CD 3.45Å; E257-P259 WeakPolarHBondContact O-CD 3.16Å; P259-C261 PolarHBondContact O-N 3.49Å; P259-A262 PolarHBondContact O-N 3Å; P259-N264 PolarHBondContact O-ND2 3.1Å; P259-A488 HydrophobicContact CB-CB 4.13Å; P259-A488 VanDerWaalsContact CB-O 3.3Å; P259-A488 WeakPolarHBondContact CB-O 3.47Å; P259-A488 HydrophobicContact CG-CB 4.04Å |
| 260 | E | 94.6 | Very high | 94.5 | Very high | 68 Ų | 68 | 31.5 Ų | 31.5 | 32% | 0.318 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -61 | -20.4 | 172.7 | 74.1 | -77.7 | -174.7 | 0 | 0 | 113.8 | H258 A262 N267 | H258-E260 WeakPolarHBondContact CA-OE2 3.28Å; H258-E260 WeakPolarHBondContact CB-OE1 3.24Å; H258-E260 IonicContact CG-OE1 3.55Å; H258-E260 IonicContact ND1-OE1 3.31Å; H258-E260 PolarHBondContact ND1-OE1 3.08Å; H258-E260 PolarHBondContact O-N 3.24Å; H258-E260 VanDerWaalsContact O-N 3.08Å; E260-A262 PolarHBondContact O-N 3.49Å; E260-N267 PolarHBondContact O-ND2 2.78Å |
| 261 | C | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -72.7 | -14.6 | 177.1 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | W254 V255 H258 P259 L528 R529 L540 | W254-C261 HydrophobicContact CZ3-CB 3.87Å; V255-C261 HydrophobicContact CG2-CB 4.48Å; H258-C261 VanDerWaalsContact O-CB 3.23Å; H258-C261 WeakPolarHBondContact O-CB 3.42Å; H258-C261 PolarHBondContact O-N 2.96Å; H258-C261 PolarHBondContact O-SG 2.81Å; H258-C261 VanDerWaalsContact O-SG 3.38Å; P259-C261 PolarHBondContact O-N 3.49Å; C261-L528 CarbonylContact O-C 3.49Å; C261-L528 WeakPolarHBondContact O-CA 3.31Å; C261-R529 PolarHBondContact O-N 2.83Å; C261-L540 HydrophobicContact CB-CB 4.11Å; C261-L540 HydrophobicContact CB-CD2 4.44Å |
| 262 | A | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -111.9 | 154.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V255 P259 E260 N264 N267 M491 K527 | V255-A262 HydrophobicContact CG2-CB 4.12Å; P259-A262 PolarHBondContact O-N 3Å; E260-A262 PolarHBondContact O-N 3.49Å; A262-N264 PolarHBondContact O-N 3.18Å; A262-N267 PolarHBondContact O-ND2 3.07Å; A262-M491 HydrophobicContact CB-CB 4.09Å; A262-M491 HydrophobicContact CB-CG 3.76Å; A262-M491 HydrophobicContact CB-SD 3.65Å; A262-K527 WeakPolarHBondContact CA-O 3.47Å |
| 263 | Y | 95.9 | Very high | 94.5 | Very high | 15 Ų | 15 | 28.9 Ų | 28.9 | 6% | 0.059 | 15% | 0.152 | C | C | . | . | trans | -65 | 118.3 | 166 | -79 | -92 | 0 | 0 | 0 | 108.3 | S268 M491 A492 N505 A507 K527 L528 R529 | Y263-S268 VanDerWaalsContact CD1-OG 3.26Å; Y263-S268 WeakPolarHBondContact CD1-OG 3.47Å; Y263-M491 CarbonylContact O-C 3.58Å; Y263-M491 WeakPolarHBondContact O-CA 3.28Å; Y263-A492 PolarHBondContact O-N 3.24Å; Y263-N505 PolarHBondContact OH-ND2 3.38Å; Y263-A507 HydrophobicContact CD1-CB 3.68Å; Y263-A507 HydrophobicContact CD2-CB 3.92Å; Y263-A507 HydrophobicContact CE1-CB 3.74Å; Y263-A507 HydrophobicContact CE2-CB 3.96Å; Y263-A507 HydrophobicContact CG-CB 3.8Å; Y263-K527 HydrophobicContact CD2-CB 4.26Å; Y263-K527 HydrophobicContact CD2-CG 3.63Å; Y263-K527 HydrophobicContact CE2-CG 4.11Å; Y263-K527 PolarHBondContact N-O 2.88Å; Y263-K527 VanDerWaalsContact N-O 3.09Å; Y263-L528 WeakPolarHBondContact CE2-O 3.42Å; Y263-R529 HydrophobicContact CD1-CB 4.48Å; Y263-R529 HydrophobicContact CD1-CG 4.26Å; Y263-R529 HydrophobicContact CD2-CB 3.58Å; Y263-R529 HydrophobicContact CD2-CG 4.14Å; Y263-R529 HydrophobicContact CE1-CG 4Å; Y263-R529 HydrophobicContact CE2-CB 3.62Å; Y263-R529 HydrophobicContact CE2-CG 3.88Å; Y263-R529 HydrophobicContact CG-CB 4.02Å; Y263-R529 HydrophobicContact CG-CG 4.3Å | ||
| 264 | N | 95.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -135.9 | 164.7 | -179.5 | 68.7 | 51.4 | 0 | 0 | 0 | 111.1 | P259 A262 V266 N267 S268 A488 I490 M491 | P259-N264 PolarHBondContact O-ND2 3.1Å; A262-N264 PolarHBondContact O-N 3.18Å; N264-V266 PolarHBondContact O-N 2.94Å; N264-V266 VanDerWaalsContact O-N 3.08Å; N264-V266 WeakPolarHBondContact OD1-CA 3.2Å; N264-V266 WeakPolarHBondContact OD1-CB 3.28Å; N264-V266 PolarHBondContact OD1-N 2.68Å; N264-N267 PolarHBondContact N-OD1 3.37Å; N264-N267 PolarHBondContact ND2-ND2 2.96Å; N264-N267 PolarHBondContact O-N 3.47Å; N264-N267 PolarHBondContact O-OD1 3.13Å; N264-N267 VanDerWaalsContact O-OD1 3.04Å; N264-N267 PolarHBondContact OD1-N 3Å; N264-N267 PolarHBondContact OD1-OD1 2.83Å; N264-S268 WeakPolarHBondContact O-CA 3.45Å; N264-S268 WeakPolarHBondContact O-CB 3.29Å; N264-S268 PolarHBondContact O-N 3.24Å; N264-A488 VanDerWaalsContact CB-O 3.29Å; N264-A488 WeakPolarHBondContact CB-O 3.32Å; N264-A488 PolarHBondContact ND2-O 2.76Å; N264-I490 WeakPolarHBondContact CA-O 3.15Å; N264-I490 WeakPolarHBondContact CB-O 3.46Å; N264-M491 HydrophobicContact CB-CG 4.36Å |
| 265 | V | 93.7 | Very high | 94.5 | Very high | 9 Ų | 9 | 25.3 Ų | 25.3 | 6% | 0.055 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13.2 | -174.9 | -58.9 | 0 | 0 | 0 | 0 | 114.3 | P269 Y275 L482 A487 I490 | V265-P269 WeakPolarHBondContact O-CA 3.35Å; V265-Y275 HydrophobicContact CG1-CG 4.41Å; V265-L482 HydrophobicContact CB-CD2 4.11Å; V265-L482 HydrophobicContact CG1-CD2 4.35Å; V265-L482 HydrophobicContact CG2-CD2 3.65Å; V265-A487 HydrophobicContact CG2-CB 4.22Å; V265-A487 WeakPolarHBondContact CG2-O 3.39Å; V265-I490 HydrophobicContact CG1-CB 4.16Å; V265-I490 HydrophobicContact CG1-CG2 3.75Å; V265-I490 HydrophobicContact CG2-CB 3.94Å; V265-I490 HydrophobicContact CG2-CD1 4.05Å; V265-I490 HydrophobicContact CG2-CG2 4.42Å; V265-I490 PolarHBondContact N-O 2.88Å |
| 266 | V | 92.4 | Very high | 94.6 | Very high | 77 Ų | 77 | 25.3 Ų | 25.3 | 47% | 0.467 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -48.4 | 177.1 | 179 | 0 | 0 | 0 | 0 | 111.3 | N264 S268 A487 A488 | N264-V266 PolarHBondContact O-N 2.94Å; N264-V266 VanDerWaalsContact O-N 3.08Å; N264-V266 WeakPolarHBondContact OD1-CA 3.2Å; N264-V266 WeakPolarHBondContact OD1-CB 3.28Å; N264-V266 PolarHBondContact OD1-N 2.68Å; V266-S268 VanDerWaalsContact C-N 3.35Å; V266-A487 HydrophobicContact CG2-CB 3.62Å; V266-A488 HydrophobicContact CG2-CB 4.18Å |
| 267 | N | 92.9 | Very high | 94.7 | Very high | 38 Ų | 38 | 23 Ų | 23 | 20% | 0.203 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -15.1 | 179.2 | 70 | 23.6 | 0 | 0 | 0 | 113.2 | E260 A262 N264 R529 | E260-N267 PolarHBondContact O-ND2 2.78Å; A262-N267 PolarHBondContact O-ND2 3.07Å; N264-N267 PolarHBondContact N-OD1 3.37Å; N264-N267 PolarHBondContact ND2-ND2 2.96Å; N264-N267 PolarHBondContact O-N 3.47Å; N264-N267 PolarHBondContact O-OD1 3.13Å; N264-N267 VanDerWaalsContact O-OD1 3.04Å; N264-N267 PolarHBondContact OD1-N 3Å; N264-N267 PolarHBondContact OD1-OD1 2.83Å; N267-R529 VanDerWaalsContact CG-CD 3.47Å; N267-R529 WeakPolarHBondContact ND2-CD 3.37Å; N267-R529 WeakPolarHBondContact OD1-CD 3.32Å |
| 268 | S | 93.8 | Very high | 94.7 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 4% | 0.035 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -133.8 | 70.3 | 179.7 | -52.6 | 0 | 0 | 0 | 0 | 109.9 | Y263 N264 V266 H270 L271 | Y263-S268 VanDerWaalsContact CD1-OG 3.26Å; Y263-S268 WeakPolarHBondContact CD1-OG 3.47Å; N264-S268 WeakPolarHBondContact O-CA 3.45Å; N264-S268 WeakPolarHBondContact O-CB 3.29Å; N264-S268 PolarHBondContact O-N 3.24Å; V266-S268 VanDerWaalsContact C-N 3.35Å; S268-H270 PolarHBondContact O-N 3.18Å; S268-H270 VanDerWaalsContact O-N 3.13Å; S268-L271 WeakPolarHBondContact O-CB 3.31Å; S268-L271 PolarHBondContact O-N 2.93Å |
| 269 | P | 92.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 14.8 Ų | 14.8 | 10% | 0.104 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -63.9 | -21.6 | -168.6 | -20.4 | 32.5 | 0 | 0 | 0 | 114.8 | V265 L271 A272 I365 K370 | V265-P269 WeakPolarHBondContact O-CA 3.35Å; P269-L271 PolarHBondContact O-N 3.15Å; P269-A272 WeakPolarHBondContact O-CB 3.31Å; P269-A272 PolarHBondContact O-N 3.01Å; P269-I365 HydrophobicContact CB-CG2 4.22Å; P269-K370 HydrophobicContact CB-CB 4.17Å; P269-K370 HydrophobicContact CB-CG 4.09Å; P269-K370 HydrophobicContact CG-CB 4.22Å; P269-K370 HydrophobicContact CG-CD 3.82Å; P269-K370 HydrophobicContact CG-CG 3.73Å |
| 270 | H | 90.8 | Very high | 94.7 | Very high | 23 Ų | 23 | 13.9 Ų | 13.9 | 11% | 0.106 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -64.5 | -17.7 | 173.1 | 62.5 | -73 | 0 | 0 | 0 | 113.1 | S268 P273 A507 E508 | S268-H270 PolarHBondContact O-N 3.18Å; S268-H270 VanDerWaalsContact O-N 3.13Å; H270-P273 WeakPolarHBondContact O-CD 3.42Å; H270-P273 WeakPolarHBondContact O-CG 3.38Å; H270-A507 PolarHBondContact CE1-O 2.9Å; H270-A507 PolarHBondContact NE2-O 3.24Å; H270-E508 PolarHBondContact NE2-O 2.77Å |
| 271 | L | 94.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 10.7 Ų | 10.7 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -82.4 | -14.6 | 176.3 | -60.1 | -179 | 0 | 0 | 0 | 113.5 | S268 P269 A274 Y275 F465 A492 Y514 | S268-L271 WeakPolarHBondContact O-CB 3.31Å; S268-L271 PolarHBondContact O-N 2.93Å; P269-L271 PolarHBondContact O-N 3.15Å; L271-A274 CarbonylContact O-C 3.55Å; L271-A274 WeakPolarHBondContact O-CA 3.24Å; L271-A274 WeakPolarHBondContact O-CB 3.27Å; L271-A274 PolarHBondContact O-N 3.11Å; L271-Y275 PolarHBondContact O-N 2.87Å; L271-F465 HydrophobicContact CB-CE1 4.06Å; L271-F465 HydrophobicContact CB-CZ 4.12Å; L271-F465 HydrophobicContact CD1-CE1 4.32Å; L271-A492 HydrophobicContact CD1-CB 4.11Å; L271-Y514 HydrophobicContact CD2-CD2 3.79Å; L271-Y514 HydrophobicContact CD2-CG 4Å |
| 272 | A | 94.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 2% | 0.017 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -52.8 | -51.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P269 A274 Y275 I276 F328 L482 | P269-A272 WeakPolarHBondContact O-CB 3.31Å; P269-A272 PolarHBondContact O-N 3.01Å; A272-A274 VanDerWaalsContact C-N 3.29Å; A272-A274 PolarHBondContact O-N 3.41Å; A272-Y275 WeakPolarHBondContact O-CB 3.37Å; A272-Y275 PolarHBondContact O-N 3.22Å; A272-I276 PolarHBondContact O-N 3.16Å; A272-I276 VanDerWaalsContact O-N 3.08Å; A272-F328 HydrophobicContact CB-CD1 4.28Å; A272-F328 HydrophobicContact CB-CE1 4.19Å; A272-L482 HydrophobicContact CB-CD1 4.13Å |
| 273 | P | 95.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.013 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.9 | -31 | 175.8 | 23.6 | -34 | 0 | 0 | 0 | 113.3 | H270 Y275 I276 L277 L325 F328 F329 L515 | H270-P273 WeakPolarHBondContact O-CD 3.42Å; H270-P273 WeakPolarHBondContact O-CG 3.38Å; P273-Y275 VanDerWaalsContact C-N 3.34Å; P273-I276 PolarHBondContact O-N 2.94Å; P273-L277 WeakPolarHBondContact O-CB 3.43Å; P273-L277 PolarHBondContact O-N 2.73Å; P273-L325 HydrophobicContact CB-CB 4.44Å; P273-F328 HydrophobicContact CB-CB 4Å; P273-F328 HydrophobicContact CB-CD2 4.14Å; P273-F328 HydrophobicContact CB-CG 4Å; P273-F328 HydrophobicContact CG-CB 3.92Å; P273-F328 HydrophobicContact CG-CG 4.25Å; P273-F329 HydrophobicContact CB-CE2 3.8Å; P273-F329 HydrophobicContact CB-CZ 4.19Å; P273-F329 HydrophobicContact CG-CD2 4.45Å; P273-F329 HydrophobicContact CG-CE1 4.33Å; P273-F329 HydrophobicContact CG-CE2 3.43Å; P273-F329 VanDerWaalsContact CG-CE2 3.43Å; P273-F329 HydrophobicContact CG-CZ 3.35Å; P273-L515 HydrophobicContact CB-CD1 4.46Å |
| 274 | A | 96 | Very high | 94.3 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.008 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.1 | -33.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L271 A272 L277 D278 F465 L515 | L271-A274 CarbonylContact O-C 3.55Å; L271-A274 WeakPolarHBondContact O-CA 3.24Å; L271-A274 WeakPolarHBondContact O-CB 3.27Å; L271-A274 PolarHBondContact O-N 3.11Å; A272-A274 VanDerWaalsContact C-N 3.29Å; A272-A274 PolarHBondContact O-N 3.41Å; A274-L277 PolarHBondContact O-N 3.05Å; A274-D278 WeakPolarHBondContact O-CB 3.41Å; A274-D278 PolarHBondContact O-N 3.44Å; A274-F465 HydrophobicContact CB-CE2 4.19Å; A274-F465 HydrophobicContact CB-CZ 4.09Å; A274-L515 HydrophobicContact CB-CB 4.34Å; A274-L515 HydrophobicContact CB-CD1 4.37Å |
| 275 | Y | 95.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 14.9 Ų | 14.9 | 2% | 0.016 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.2 | -42.3 | 172.3 | 161 | -104.1 | 0 | 0 | 0 | 112.2 | V265 L271 A272 P273 L277 D278 H279 F465 H467 L482 I490 | V265-Y275 HydrophobicContact CG1-CG 4.41Å; L271-Y275 PolarHBondContact O-N 2.87Å; A272-Y275 WeakPolarHBondContact O-CB 3.37Å; A272-Y275 PolarHBondContact O-N 3.22Å; P273-Y275 VanDerWaalsContact C-N 3.34Å; Y275-L277 VanDerWaalsContact C-N 3.3Å; Y275-L277 PolarHBondContact O-N 2.89Å; Y275-D278 VanDerWaalsContact O-CB 3.32Å; Y275-D278 WeakPolarHBondContact O-CB 3.37Å; Y275-D278 PolarHBondContact O-N 3.27Å; Y275-D278 VanDerWaalsContact O-N 3.12Å; Y275-H279 PolarHBondContact O-N 3.4Å; Y275-F465 HydrophobicContact CD2-CB 4.07Å; Y275-F465 HydrophobicContact CD2-CD2 4.42Å; Y275-F465 HydrophobicContact CD2-CG 4.17Å; Y275-H467 AromaticContact CE2-ND1 3.63Å; Y275-H467 AromaticContact CZ-ND1 3.72Å; Y275-H467 PolarHBondContact OH-CE1 2.97Å; Y275-H467 PolarHBondContact OH-ND1 2.87Å; Y275-L482 HydrophobicContact CD1-CD2 3.89Å; Y275-L482 HydrophobicContact CE1-CD2 4.01Å; Y275-I490 HydrophobicContact CD1-CD1 4.27Å; Y275-I490 HydrophobicContact CD1-CG2 4.34Å; Y275-I490 HydrophobicContact CD2-CG2 3.32Å; Y275-I490 HydrophobicContact CE1-CD1 3.73Å; Y275-I490 HydrophobicContact CE2-CD1 4.11Å; Y275-I490 HydrophobicContact CE2-CG1 4.33Å; Y275-I490 HydrophobicContact CE2-CG2 3.59Å; Y275-I490 HydrophobicContact CG-CG2 3.71Å |
| 276 | I | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.3 | -58.7 | -58.6 | 0 | 0 | 0 | 110.7 | A272 P273 D278 H279 I280 L325 I475 A478 E479 L482 | A272-I276 PolarHBondContact O-N 3.16Å; A272-I276 VanDerWaalsContact O-N 3.08Å; P273-I276 PolarHBondContact O-N 2.94Å; I276-D278 VanDerWaalsContact C-N 3.33Å; I276-D278 PolarHBondContact O-N 2.79Å; I276-H279 WeakPolarHBondContact O-CB 3.48Å; I276-H279 PolarHBondContact O-N 2.87Å; I276-I280 WeakPolarHBondContact O-CG1 3.43Å; I276-I280 PolarHBondContact O-N 2.76Å; I276-L325 HydrophobicContact CB-CD2 3.87Å; I276-L325 HydrophobicContact CG2-CD2 3.69Å; I276-I475 HydrophobicContact CG2-CG2 3.76Å; I276-A478 HydrophobicContact CD1-CB 4.24Å; I276-E479 HydrophobicContact CD1-CB 3.99Å; I276-L482 HydrophobicContact CD1-CD1 4.31Å |
| 277 | L | 96.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 172.1 | 178 | 61.3 | 0 | 0 | 0 | 112.2 | P273 A274 Y275 H279 I280 V281 I320 L325 L428 A431 L515 R517 | P273-L277 WeakPolarHBondContact O-CB 3.43Å; P273-L277 PolarHBondContact O-N 2.73Å; A274-L277 PolarHBondContact O-N 3.05Å; Y275-L277 VanDerWaalsContact C-N 3.3Å; Y275-L277 PolarHBondContact O-N 2.89Å; L277-H279 VanDerWaalsContact C-N 3.29Å; L277-H279 PolarHBondContact O-N 3.4Å; L277-I280 PolarHBondContact O-N 3.41Å; L277-V281 HydrophobicContact CD1-CG2 4.35Å; L277-V281 WeakPolarHBondContact O-CG2 3.48Å; L277-V281 PolarHBondContact O-N 3.21Å; L277-I320 HydrophobicContact CD1-CD1 3.48Å; L277-I320 VanDerWaalsContact CD1-CD1 3.48Å; L277-I320 HydrophobicContact CD1-CG1 3.62Å; L277-L325 HydrophobicContact CB-CD1 3.91Å; L277-L325 HydrophobicContact CD1-CD1 4.48Å; L277-L428 HydrophobicContact CD2-CD2 4.29Å; L277-A431 HydrophobicContact CD2-CB 3.9Å; L277-L515 HydrophobicContact CD2-CD1 4.16Å; L277-L515 WeakPolarHBondContact CD2-O 3.36Å; L277-R517 HydrophobicContact CD2-CG 4.2Å |
| 278 | D | 95.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 13 Ų | 13 | 4% | 0.037 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -58.5 | -42.9 | 175.6 | -164.3 | 52.7 | 0 | 0 | 0 | 111.6 | A274 Y275 I276 V281 W282 T463 Y464 F465 R517 | A274-D278 WeakPolarHBondContact O-CB 3.41Å; A274-D278 PolarHBondContact O-N 3.44Å; Y275-D278 VanDerWaalsContact O-CB 3.32Å; Y275-D278 WeakPolarHBondContact O-CB 3.37Å; Y275-D278 PolarHBondContact O-N 3.27Å; Y275-D278 VanDerWaalsContact O-N 3.12Å; I276-D278 VanDerWaalsContact C-N 3.33Å; I276-D278 PolarHBondContact O-N 2.79Å; D278-V281 PolarHBondContact O-N 3.38Å; D278-W282 WeakPolarHBondContact O-CB 3.4Å; D278-W282 PolarHBondContact O-N 3.17Å; D278-T463 WeakPolarHBondContact OD1-CA 3.38Å; D278-Y464 VanDerWaalsContact CG-N 3.26Å; D278-Y464 PolarHBondContact OD1-N 3.34Å; D278-Y464 PolarHBondContact OD2-N 2.96Å; D278-F465 HydrophobicContact CB-CD2 3.75Å; D278-F465 HydrophobicContact CB-CE2 4.24Å; D278-F465 PolarHBondContact OD2-N 3.14Å; D278-F465 VanDerWaalsContact OD2-N 3.13Å; D278-R517 IonicContact OD1-CZ 3.55Å; D278-R517 IonicContact OD1-NH1 3.45Å; D278-R517 PolarHBondContact OD1-NH1 3.01Å; D278-R517 IonicContact OD1-NH2 3.82Å; D278-R517 PolarHBondContact OD1-NH2 2.92Å |
| 279 | H | 94.5 | Very high | 94.3 | Very high | 11 Ų | 11 | 14.2 Ų | 14.2 | 5% | 0.051 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 175 | -171 | 77.2 | 0 | 0 | 0 | 111.8 | Y275 I276 L277 V281 W282 R283 V472 A478 | Y275-H279 PolarHBondContact O-N 3.4Å; I276-H279 WeakPolarHBondContact O-CB 3.48Å; I276-H279 PolarHBondContact O-N 2.87Å; L277-H279 VanDerWaalsContact C-N 3.29Å; L277-H279 PolarHBondContact O-N 3.4Å; H279-V281 VanDerWaalsContact C-N 3.35Å; H279-V281 PolarHBondContact O-N 3.42Å; H279-W282 PolarHBondContact O-N 2.96Å; H279-R283 WeakPolarHBondContact O-CB 3.34Å; H279-R283 VanDerWaalsContact O-CG 3.3Å; H279-R283 WeakPolarHBondContact O-CG 3.44Å; H279-R283 PolarHBondContact O-N 3.35Å; H279-V472 PolarHBondContact CE1-O 3.45Å; H279-V472 VanDerWaalsContact CE1-O 3.31Å; H279-A478 HydrophobicContact CB-CB 4.31Å |
| 280 | I | 95.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 17.7 Ų | 17.7 | 3% | 0.026 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 176 | -65 | 167.3 | 0 | 0 | 0 | 111.3 | I276 L277 W282 R283 L284 W315 L316 K319 A323 I475 | I276-I280 WeakPolarHBondContact O-CG1 3.43Å; I276-I280 PolarHBondContact O-N 2.76Å; L277-I280 PolarHBondContact O-N 3.41Å; I280-W282 VanDerWaalsContact C-N 3.34Å; I280-R283 PolarHBondContact O-N 2.87Å; I280-L284 PolarHBondContact O-N 2.76Å; I280-W315 HydrophobicContact CG2-CZ3 4.25Å; I280-L316 HydrophobicContact CG2-CD1 3.9Å; I280-K319 HydrophobicContact CG2-CB 3.76Å; I280-A323 HydrophobicContact CD1-CB 3.73Å; I280-I475 HydrophobicContact CD1-CD1 3.91Å; I280-I475 HydrophobicContact CG1-CD1 3.85Å; I280-I475 HydrophobicContact CG1-CG1 4.12Å |
| 281 | V | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.5 | -34.4 | 179.4 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | L277 D278 H279 L284 T285 L316 V435 M461 | L277-V281 HydrophobicContact CD1-CG2 4.35Å; L277-V281 WeakPolarHBondContact O-CG2 3.48Å; L277-V281 PolarHBondContact O-N 3.21Å; D278-V281 PolarHBondContact O-N 3.38Å; H279-V281 VanDerWaalsContact C-N 3.35Å; H279-V281 PolarHBondContact O-N 3.42Å; V281-L284 WeakPolarHBondContact O-CB 3.28Å; V281-L284 PolarHBondContact O-N 2.94Å; V281-T285 PolarHBondContact O-N 3.08Å; V281-T285 PolarHBondContact O-OG1 3.25Å; V281-L316 HydrophobicContact CG2-CD1 4.02Å; V281-V435 HydrophobicContact CG1-CG1 4.45Å; V281-V435 HydrophobicContact CG1-CG2 4.33Å; V281-V435 HydrophobicContact CG2-CG2 4.05Å; V281-M461 HydrophobicContact CG1-CB 3.87Å; V281-M461 HydrophobicContact CG1-CG 4.47Å; V281-M461 HydrophobicContact CG1-SD 4.39Å |
| 282 | W | 93.4 | Very high | 94.1 | Very high | 64 Ų | 64 | 21.7 Ų | 21.7 | 24% | 0.242 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69 | -40.7 | 174 | -172.4 | -117.7 | 0 | 0 | 0 | 112 | D278 H279 I280 L284 T285 I286 L456 P459 T463 | D278-W282 WeakPolarHBondContact O-CB 3.4Å; D278-W282 PolarHBondContact O-N 3.17Å; H279-W282 PolarHBondContact O-N 2.96Å; I280-W282 VanDerWaalsContact C-N 3.34Å; W282-L284 VanDerWaalsContact C-N 3.33Å; W282-L284 PolarHBondContact O-N 3.35Å; W282-T285 HydrophobicContact CE3-CG2 4.44Å; W282-T285 HydrophobicContact CZ3-CG2 4.27Å; W282-T285 WeakPolarHBondContact O-CA 3.17Å; W282-T285 VanDerWaalsContact O-CB 3.31Å; W282-T285 WeakPolarHBondContact O-CB 3.25Å; W282-T285 PolarHBondContact O-N 3.19Å; W282-I286 HydrophobicContact CG-CD1 4.39Å; W282-I286 PolarHBondContact O-N 2.84Å; W282-L456 HydrophobicContact CH2-CD2 4.43Å; W282-L456 HydrophobicContact CZ2-CD2 4.17Å; W282-P459 HydrophobicContact CZ3-CB 3.85Å; W282-P459 HydrophobicContact CZ3-CG 4.4Å; W282-T463 HydrophobicContact CB-CG2 4.15Å; W282-T463 HydrophobicContact CD2-CG2 3.5Å; W282-T463 HydrophobicContact CE3-CG2 3.36Å; W282-T463 HydrophobicContact CG-CG2 3.86Å; W282-T463 HydrophobicContact CZ3-CG2 3.94Å |
| 283 | R | 92.7 | Very high | 94.1 | Very high | 43 Ų | 43 | 21.8 Ų | 21.8 | 16% | 0.162 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.5 | -40.7 | 173 | -72 | -55.4 | -51.4 | -171.9 | -4.3 | 112.2 | H279 I280 T285 I286 E287 | H279-R283 WeakPolarHBondContact O-CB 3.34Å; H279-R283 VanDerWaalsContact O-CG 3.3Å; H279-R283 WeakPolarHBondContact O-CG 3.44Å; H279-R283 PolarHBondContact O-N 3.35Å; I280-R283 PolarHBondContact O-N 2.87Å; R283-T285 VanDerWaalsContact C-N 3.26Å; R283-T285 PolarHBondContact O-N 2.79Å; R283-I286 PolarHBondContact O-N 3.45Å; R283-E287 IonicContact CZ-OE1 3.47Å; R283-E287 IonicContact NE-OE1 2.82Å; R283-E287 PolarHBondContact NE-OE1 2.92Å; R283-E287 IonicContact NH2-OE1 3.81Å; R283-E287 PolarHBondContact NH2-OE1 2.92Å; R283-E287 WeakPolarHBondContact O-CB 3.06Å; R283-E287 WeakPolarHBondContact O-CG 3.16Å; R283-E287 PolarHBondContact O-N 3.25Å |
| 284 | L | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.1 | -45.2 | 170.5 | 171.8 | 62 | 0 | 0 | 0 | 111.3 | I280 V281 W282 A288 L293 I298 I312 W315 I460 | I280-L284 PolarHBondContact O-N 2.76Å; V281-L284 WeakPolarHBondContact O-CB 3.28Å; V281-L284 PolarHBondContact O-N 2.94Å; W282-L284 VanDerWaalsContact C-N 3.33Å; W282-L284 PolarHBondContact O-N 3.35Å; L284-A288 WeakPolarHBondContact O-CB 3.47Å; L284-A288 PolarHBondContact O-N 3.34Å; L284-L293 HydrophobicContact CD1-CD1 3.63Å; L284-I298 HydrophobicContact CD1-CD1 4.02Å; L284-I298 HydrophobicContact CD1-CG2 4.49Å; L284-I312 HydrophobicContact CD2-CG2 3.87Å; L284-W315 HydrophobicContact CB-CE3 4.15Å; L284-W315 HydrophobicContact CB-CH2 3.98Å; L284-W315 HydrophobicContact CB-CZ3 3.55Å; L284-W315 HydrophobicContact CD1-CD2 4.2Å; L284-W315 HydrophobicContact CD1-CE3 3.78Å; L284-W315 HydrophobicContact CD1-CZ3 4.06Å; L284-W315 HydrophobicContact CG-CE3 4.37Å; L284-W315 HydrophobicContact CG-CZ3 4.26Å; L284-I460 HydrophobicContact CD1-CD1 4.32Å; L284-I460 HydrophobicContact CD2-CD1 4.21Å; L284-I460 HydrophobicContact CD2-CG2 4.43Å; L284-I460 HydrophobicContact CG-CD1 3.84Å |
| 285 | T | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -48.7 | 177.3 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | V281 W282 R283 A288 S289 V454 P459 I460 | V281-T285 PolarHBondContact O-N 3.08Å; V281-T285 PolarHBondContact O-OG1 3.25Å; W282-T285 HydrophobicContact CE3-CG2 4.44Å; W282-T285 HydrophobicContact CZ3-CG2 4.27Å; W282-T285 WeakPolarHBondContact O-CA 3.17Å; W282-T285 VanDerWaalsContact O-CB 3.31Å; W282-T285 WeakPolarHBondContact O-CB 3.25Å; W282-T285 PolarHBondContact O-N 3.19Å; R283-T285 VanDerWaalsContact C-N 3.26Å; R283-T285 PolarHBondContact O-N 2.79Å; T285-A288 PolarHBondContact O-N 2.83Å; T285-S289 VanDerWaalsContact O-CB 3.27Å; T285-S289 WeakPolarHBondContact O-CB 3.45Å; T285-S289 PolarHBondContact O-N 2.84Å; T285-S289 PolarHBondContact O-OG 3.22Å; T285-V454 HydrophobicContact CG2-CG1 3.98Å; T285-P459 HydrophobicContact CG2-CB 3.56Å; T285-I460 PolarHBondContact OG1-N 2.78Å |
| 286 | I | 92.7 | Very high | 93.3 | Very high | 41 Ų | 41 | 33.6 Ų | 33.6 | 21% | 0.21 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -53.9 | 179.4 | -68.1 | 168.3 | 0 | 0 | 0 | 109.8 | W282 R283 A288 S289 T290 L456 | W282-I286 HydrophobicContact CG-CD1 4.39Å; W282-I286 PolarHBondContact O-N 2.84Å; R283-I286 PolarHBondContact O-N 3.45Å; I286-A288 PolarHBondContact O-N 3.4Å; I286-S289 PolarHBondContact O-N 3.39Å; I286-S289 VanDerWaalsContact O-N 3.11Å; I286-S289 PolarHBondContact O-OG 3.33Å; I286-T290 WeakPolarHBondContact O-CG2 3.07Å; I286-T290 PolarHBondContact O-N 3.39Å; I286-T290 PolarHBondContact O-OG1 3.28Å; I286-L456 HydrophobicContact CG1-CD2 3.96Å |
| 287 | E | 93.6 | Very high | 93.2 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 20% | 0.201 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.1 | -29.1 | -174.3 | -64.3 | 176.7 | -162.2 | 0 | 0 | 113 | R283 T290 G291 S292 L293 | R283-E287 IonicContact CZ-OE1 3.47Å; R283-E287 IonicContact NE-OE1 2.82Å; R283-E287 PolarHBondContact NE-OE1 2.92Å; R283-E287 IonicContact NH2-OE1 3.81Å; R283-E287 PolarHBondContact NH2-OE1 2.92Å; R283-E287 WeakPolarHBondContact O-CB 3.06Å; R283-E287 WeakPolarHBondContact O-CG 3.16Å; R283-E287 PolarHBondContact O-N 3.25Å; E287-T290 PolarHBondContact O-OG1 2.94Å; E287-G291 PolarHBondContact O-N 2.73Å; E287-S292 WeakPolarHBondContact O-CB 3.41Å; E287-S292 PolarHBondContact O-N 3.11Å; E287-L293 HydrophobicContact CB-CD1 3.79Å; E287-L293 HydrophobicContact CB-CD2 4.15Å; E287-L293 HydrophobicContact CB-CG 3.63Å; E287-L293 PolarHBondContact O-N 2.92Å |
| 288 | A | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.7 | -45.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L284 T285 I286 T290 G291 I298 A300 V454 I460 | L284-A288 WeakPolarHBondContact O-CB 3.47Å; L284-A288 PolarHBondContact O-N 3.34Å; T285-A288 PolarHBondContact O-N 2.83Å; I286-A288 PolarHBondContact O-N 3.4Å; A288-T290 VanDerWaalsContact C-N 3.32Å; A288-T290 PolarHBondContact O-N 3.16Å; A288-G291 PolarHBondContact O-N 2.83Å; A288-I298 HydrophobicContact CB-CG2 4.06Å; A288-A300 WeakPolarHBondContact O-CA 3.34Å; A288-A300 WeakPolarHBondContact O-CB 3.48Å; A288-A300 PolarHBondContact O-N 3.28Å; A288-V454 HydrophobicContact CB-CG1 4.3Å; A288-I460 HydrophobicContact CB-CD1 3.98Å |
| 289 | S | 94 | Very high | 92.9 | Very high | 30 Ų | 30 | 36.7 Ų | 36.7 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -33.2 | -178.1 | 76.3 | 0 | 0 | 0 | 0 | 113.6 | T285 I286 G291 V454 | T285-S289 VanDerWaalsContact O-CB 3.27Å; T285-S289 WeakPolarHBondContact O-CB 3.45Å; T285-S289 PolarHBondContact O-N 2.84Å; T285-S289 PolarHBondContact O-OG 3.22Å; I286-S289 PolarHBondContact O-N 3.39Å; I286-S289 VanDerWaalsContact O-N 3.11Å; I286-S289 PolarHBondContact O-OG 3.33Å; S289-G291 VanDerWaalsContact C-N 3.27Å; S289-G291 PolarHBondContact O-N 3.12Å; S289-V454 WeakPolarHBondContact CB-O 3.44Å |
| 290 | T | 92.4 | Very high | 92.8 | Very high | 90 Ų | 90 | 37 Ų | 37 | 55% | 0.552 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -7.2 | 174.8 | 59 | 0 | 0 | 0 | 0 | 113.1 | I286 E287 A288 S292 | I286-T290 WeakPolarHBondContact O-CG2 3.07Å; I286-T290 PolarHBondContact O-N 3.39Å; I286-T290 PolarHBondContact O-OG1 3.28Å; E287-T290 PolarHBondContact O-OG1 2.94Å; A288-T290 VanDerWaalsContact C-N 3.32Å; A288-T290 PolarHBondContact O-N 3.16Å; T290-S292 PolarHBondContact O-N 3.25Å; T290-S292 PolarHBondContact OG1-OG 3.23Å |
| 291 | G | 89.9 | Confident | 92.7 | Very high | 28 Ų | 28 | 40.9 Ų | 40.9 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 5.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E287 A288 S289 L293 A294 | E287-G291 PolarHBondContact O-N 2.73Å; A288-G291 PolarHBondContact O-N 2.83Å; S289-G291 VanDerWaalsContact C-N 3.27Å; S289-G291 PolarHBondContact O-N 3.12Å; G291-L293 PolarHBondContact O-N 3.34Å; G291-A294 VanDerWaalsContact O-CB 3.32Å; G291-A294 WeakPolarHBondContact O-CB 3.48Å; G291-A294 PolarHBondContact O-N 3.18Å; G291-A294 VanDerWaalsContact O-N 3.15Å |
| 292 | S | 91.5 | Very high | 92.4 | Very high | 83 Ų | 83 | 40.9 Ų | 40.9 | 58% | 0.58 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -26.5 | -178.8 | -60.5 | 0 | 0 | 0 | 0 | 113 | E287 T290 | E287-S292 WeakPolarHBondContact O-CB 3.41Å; E287-S292 PolarHBondContact O-N 3.11Å; T290-S292 PolarHBondContact O-N 3.25Å; T290-S292 PolarHBondContact OG1-OG 3.23Å |
| 293 | L | 94 | Very high | 92.3 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 4.7 | 178 | -59.6 | 179.4 | 0 | 0 | 0 | 114.8 | L284 E287 G291 G295 H296 G297 I298 W315 | L284-L293 HydrophobicContact CD1-CD1 3.63Å; E287-L293 HydrophobicContact CB-CD1 3.79Å; E287-L293 HydrophobicContact CB-CD2 4.15Å; E287-L293 HydrophobicContact CB-CG 3.63Å; E287-L293 PolarHBondContact O-N 2.92Å; G291-L293 PolarHBondContact O-N 3.34Å; L293-G295 PolarHBondContact O-N 2.78Å; L293-H296 WeakPolarHBondContact O-CA 3.42Å; L293-H296 WeakPolarHBondContact O-CB 3.31Å; L293-H296 PolarHBondContact O-N 2.92Å; L293-G297 PolarHBondContact O-N 3.02Å; L293-I298 CarbonylContact C-O 3.6Å; L293-I298 HydrophobicContact CB-CB 3.82Å; L293-I298 HydrophobicContact CB-CD1 4.49Å; L293-I298 HydrophobicContact CB-CG2 4.43Å; L293-I298 WeakPolarHBondContact CB-O 3.5Å; L293-I298 HydrophobicContact CD1-CD1 4.22Å; L293-I298 PolarHBondContact O-N 3.35Å; L293-I298 VanDerWaalsContact O-N 3.1Å; L293-W315 HydrophobicContact CD1-CD2 4.4Å; L293-W315 HydrophobicContact CD1-CZ2 4.2Å; L293-W315 HydrophobicContact CD2-CZ2 4.31Å; L293-W315 VanDerWaalsContact CD2-NE1 3.25Å |
| 294 | A | 90.2 | Very high | 92.3 | Very high | 57 Ų | 57 | 44.5 Ų | 44.5 | 47% | 0.471 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -57 | -36.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G291 H296 G297 I298 | G291-A294 VanDerWaalsContact O-CB 3.32Å; G291-A294 WeakPolarHBondContact O-CB 3.48Å; G291-A294 PolarHBondContact O-N 3.18Å; G291-A294 VanDerWaalsContact O-N 3.15Å; A294-H296 PolarHBondContact O-N 2.96Å; A294-G297 PolarHBondContact O-N 3.02Å; A294-G297 VanDerWaalsContact O-N 3.08Å; A294-I298 PolarHBondContact N-O 3.22Å |
| 295 | G | 89 | Confident | 92.1 | Very high | 83 Ų | 83 | 46.6 Ų | 46.6 | 86% | 0.856 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -67.6 | -18.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L293 | L293-G295 PolarHBondContact O-N 2.78Š|
| 296 | H | 91.2 | Very high | 92 | Very high | 114 Ų | 114 | 53.2 Ų | 53.2 | 53% | 0.528 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -92.9 | 5.5 | 172.9 | -64.4 | 86.4 | 0 | 0 | 0 | 112.4 | L293 A294 | L293-H296 WeakPolarHBondContact O-CA 3.42Å; L293-H296 WeakPolarHBondContact O-CB 3.31Å; L293-H296 PolarHBondContact O-N 2.92Å; A294-H296 PolarHBondContact O-N 2.96Å |
| 297 | G | 92.1 | Very high | 92.1 | Very high | 35 Ų | 35 | 54.1 Ų | 54.1 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 13.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | L293 A294 P299 | L293-G297 PolarHBondContact O-N 3.02Å; A294-G297 PolarHBondContact O-N 3.02Å; A294-G297 VanDerWaalsContact O-N 3.08Å; G297-P299 WeakPolarHBondContact O-CD 3.41Å |
| 298 | I | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -118.1 | 85 | -179.2 | -47.7 | 170.1 | 0 | 0 | 0 | 109.1 | L284 A288 L293 A294 A311 I312 W315 | L284-I298 HydrophobicContact CD1-CD1 4.02Å; L284-I298 HydrophobicContact CD1-CG2 4.49Å; A288-I298 HydrophobicContact CB-CG2 4.06Å; L293-I298 CarbonylContact C-O 3.6Å; L293-I298 HydrophobicContact CB-CB 3.82Å; L293-I298 HydrophobicContact CB-CD1 4.49Å; L293-I298 HydrophobicContact CB-CG2 4.43Å; L293-I298 WeakPolarHBondContact CB-O 3.5Å; L293-I298 HydrophobicContact CD1-CD1 4.22Å; L293-I298 PolarHBondContact O-N 3.35Å; L293-I298 VanDerWaalsContact O-N 3.1Å; A294-I298 PolarHBondContact N-O 3.22Å; I298-A311 HydrophobicContact CG1-CB 3.85Å; I298-I312 HydrophobicContact CD1-CB 4.47Å; I298-I312 HydrophobicContact CD1-CG1 4.01Å; I298-I312 HydrophobicContact CG1-CG1 3.97Å; I298-I312 HydrophobicContact CG2-CD1 4.38Å; I298-I312 HydrophobicContact CG2-CG1 3.8Å; I298-W315 HydrophobicContact CD1-CB 3.68Å; I298-W315 HydrophobicContact CD1-CG 4.03Å | ||
| 299 | P | 92.2 | Very high | 92.2 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 25% | 0.247 | 35% | 0.347 | C | S | . | . | trans | -73.9 | 164 | 177 | 31.3 | -35.6 | 0 | 0 | 0 | 112.4 | G297 I301 L302 E308 | G297-P299 WeakPolarHBondContact O-CD 3.41Å; P299-I301 VanDerWaalsContact CG-O 3.22Å; P299-I301 WeakPolarHBondContact CG-O 3.39Å; P299-I301 PolarHBondContact O-N 3.38Å; P299-L302 HydrophobicContact CG-CD2 4.43Å; P299-L302 WeakPolarHBondContact O-CD2 3.32Å; P299-E308 HydrophobicContact CG-CG 4.41Å | ||
| 300 | A | 92.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 55 Ų | 55 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -65.3 | -27.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A288 Q453 V454 | A288-A300 WeakPolarHBondContact O-CA 3.34Å; A288-A300 WeakPolarHBondContact O-CB 3.48Å; A288-A300 PolarHBondContact O-N 3.28Å; A300-Q453 WeakPolarHBondContact O-CA 3.33Å; A300-V454 PolarHBondContact O-N 2.77Å |
| 301 | I | 93 | Very high | 92.4 | Very high | 86 Ų | 86 | 51.6 Ų | 51.6 | 44% | 0.441 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -105.4 | 113 | 177.8 | -57.6 | 175.4 | 0 | 0 | 0 | 107.8 | P299 N303 K452 Q453 | P299-I301 VanDerWaalsContact CG-O 3.22Å; P299-I301 WeakPolarHBondContact CG-O 3.39Å; P299-I301 PolarHBondContact O-N 3.38Å; I301-N303 VanDerWaalsContact CG2-ND2 3.31Å; I301-N303 WeakPolarHBondContact CG2-ND2 3.44Å; I301-K452 CarbonylContact C-O 3.43Å; I301-K452 WeakPolarHBondContact CA-O 3.43Å; I301-Q453 HydrophobicContact CG1-CG 4.29Å |
| 302 | L | 90.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -97.9 | 109.5 | -175.9 | -66.1 | -176.3 | 0 | 0 | 0 | 110 | P299 E308 I312 F443 Y444 K452 V454 I460 | P299-L302 HydrophobicContact CG-CD2 4.43Å; P299-L302 WeakPolarHBondContact O-CD2 3.32Å; L302-E308 VanDerWaalsContact CA-OE2 3.28Å; L302-E308 WeakPolarHBondContact CA-OE2 3.49Å; L302-E308 HydrophobicContact CD2-CB 4.36Å; L302-I312 HydrophobicContact CD1-CD1 4.49Å; L302-F443 HydrophobicContact CB-CB 4.07Å; L302-F443 HydrophobicContact CB-CD1 4.2Å; L302-F443 HydrophobicContact CB-CG 4.19Å; L302-F443 HydrophobicContact CD1-CB 4.36Å; L302-F443 HydrophobicContact CD1-CD1 4.15Å; L302-F443 HydrophobicContact CD1-CD2 3.93Å; L302-F443 HydrophobicContact CD1-CE1 4.48Å; L302-F443 HydrophobicContact CD1-CE2 4.31Å; L302-F443 HydrophobicContact CD1-CG 3.87Å; L302-Y444 HydrophobicContact CB-CE1 3.82Å; L302-Y444 WeakPolarHBondContact CB-OH 3.19Å; L302-K452 PolarHBondContact N-O 3.47Å; L302-V454 HydrophobicContact CD1-CG2 3.45Å; L302-V454 VanDerWaalsContact CD1-CG2 3.45Å; L302-V454 HydrophobicContact CG-CG2 3.8Å; L302-I460 HydrophobicContact CD1-CG1 4.41Å | ||
| 303 | N | 90.2 | Very high | 93 | Very high | 112 Ų | 112 | 50.8 Ų | 50.8 | 60% | 0.599 | 32% | 0.317 | S | S | * | . | trans | -135.1 | -15.2 | -176 | -68.7 | -28.6 | 0 | 0 | 0 | 114.7 | I301 E308 | I301-N303 VanDerWaalsContact CG2-ND2 3.31Å; I301-N303 WeakPolarHBondContact CG2-ND2 3.44Å; N303-E308 PolarHBondContact N-OE1 3.25Å; N303-E308 PolarHBondContact N-OE2 2.85Å | ||
| 304 | N | 91.9 | Very high | 93.1 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | trans | -121.1 | 89.1 | -177.5 | -174.3 | 8.3 | 0 | 0 | 0 | 111.5 | D306 S307 E308 | N304-D306 PolarHBondContact O-N 3.44Å; N304-D306 VanDerWaalsContact O-N 3.13Å; N304-D306 PolarHBondContact OD1-N 3.05Å; N304-S307 PolarHBondContact ND2-OG 3.04Å; N304-S307 PolarHBondContact O-N 2.78Å; N304-E308 HydrophobicContact CB-CG 4.41Å; N304-E308 PolarHBondContact N-OE1 3.06Å; N304-E308 VanDerWaalsContact N-OE1 3.16Å; N304-E308 PolarHBondContact N-OE2 3.1Å; N304-E308 VanDerWaalsContact O-CB 3.22Å; N304-E308 WeakPolarHBondContact O-CB 3.13Å; N304-E308 VanDerWaalsContact O-CG 3.26Å; N304-E308 WeakPolarHBondContact O-CG 3.32Å; N304-E308 PolarHBondContact O-N 3.01Å | ||
| 305 | P | 92 | Very high | 93.3 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 29% | 0.286 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.3 | -28.5 | -177.5 | 23.1 | -32.5 | 0 | 0 | 0 | 113.6 | S307 L309 Y444 | P305-S307 VanDerWaalsContact C-N 3.35Å; P305-S307 PolarHBondContact O-N 3.27Å; P305-L309 HydrophobicContact CB-CD1 3.95Å; P305-L309 HydrophobicContact CB-CG 4.41Å; P305-L309 VanDerWaalsContact O-CB 3.32Å; P305-L309 WeakPolarHBondContact O-CB 3.43Å; P305-L309 PolarHBondContact O-N 2.98Å; P305-Y444 HydrophobicContact CB-CD1 4Å; P305-Y444 HydrophobicContact CB-CD2 3.77Å; P305-Y444 HydrophobicContact CB-CE1 4.37Å; P305-Y444 HydrophobicContact CB-CE2 4.25Å; P305-Y444 HydrophobicContact CB-CG 3.7Å; P305-Y444 HydrophobicContact CG-CD1 4.23Å; P305-Y444 HydrophobicContact CG-CG 4.17Å |
| 306 | D | 92.5 | Very high | 93.7 | Very high | 139 Ų | 139 | 47.6 Ų | 47.6 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -71.3 | -28.1 | -175.1 | -65.5 | -28.8 | 0 | 0 | 0 | 113 | N304 P310 | N304-D306 PolarHBondContact O-N 3.44Å; N304-D306 VanDerWaalsContact O-N 3.13Å; N304-D306 PolarHBondContact OD1-N 3.05Å; D306-P310 WeakPolarHBondContact O-CG 3.32Å |
| 307 | S | 92.9 | Very high | 93.9 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 42% | 0.42 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -103.5 | -36.8 | 175.3 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | N304 P305 A311 | N304-S307 PolarHBondContact ND2-OG 3.04Å; N304-S307 PolarHBondContact O-N 2.78Å; P305-S307 VanDerWaalsContact C-N 3.35Å; P305-S307 PolarHBondContact O-N 3.27Å; S307-A311 WeakPolarHBondContact O-CB 3.33Å; S307-A311 PolarHBondContact O-N 2.8Å |
| 308 | E | 94.5 | Very high | 94.1 | Very high | 17 Ų | 17 | 48.2 Ų | 48.2 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -81.2 | -37.9 | -169.8 | -64.6 | 161.9 | -177.1 | 0 | 0 | 112.1 | P299 L302 N303 N304 A311 I312 Y444 | P299-E308 HydrophobicContact CG-CG 4.41Å; L302-E308 VanDerWaalsContact CA-OE2 3.28Å; L302-E308 WeakPolarHBondContact CA-OE2 3.49Å; L302-E308 HydrophobicContact CD2-CB 4.36Å; N303-E308 PolarHBondContact N-OE1 3.25Å; N303-E308 PolarHBondContact N-OE2 2.85Å; N304-E308 HydrophobicContact CB-CG 4.41Å; N304-E308 PolarHBondContact N-OE1 3.06Å; N304-E308 VanDerWaalsContact N-OE1 3.16Å; N304-E308 PolarHBondContact N-OE2 3.1Å; N304-E308 VanDerWaalsContact O-CB 3.22Å; N304-E308 WeakPolarHBondContact O-CB 3.13Å; N304-E308 VanDerWaalsContact O-CG 3.26Å; N304-E308 WeakPolarHBondContact O-CG 3.32Å; N304-E308 PolarHBondContact O-N 3.01Å; E308-A311 PolarHBondContact O-N 2.83Å; E308-I312 WeakPolarHBondContact O-CB 3.25Å; E308-I312 VanDerWaalsContact O-CG1 3.23Å; E308-I312 WeakPolarHBondContact O-CG1 3.28Å; E308-I312 PolarHBondContact O-N 2.92Å; E308-Y444 VanDerWaalsContact CB-OH 3.32Å; E308-Y444 WeakPolarHBondContact CB-OH 3.39Å; E308-Y444 VanDerWaalsContact OE2-CE1 3.28Å; E308-Y444 WeakPolarHBondContact OE2-CE1 3.49Å; E308-Y444 PolarHBondContact OE2-OH 3.46Å |
| 309 | L | 95 | Very high | 94.1 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 175.6 | -71.2 | 172.6 | 0 | 0 | 0 | 112.1 | P305 A311 I312 E313 L436 A439 R440 Y444 | P305-L309 HydrophobicContact CB-CD1 3.95Å; P305-L309 HydrophobicContact CB-CG 4.41Å; P305-L309 VanDerWaalsContact O-CB 3.32Å; P305-L309 WeakPolarHBondContact O-CB 3.43Å; P305-L309 PolarHBondContact O-N 2.98Å; L309-A311 VanDerWaalsContact C-N 3.29Å; L309-A311 PolarHBondContact O-N 3.26Å; L309-I312 PolarHBondContact O-N 3.2Å; L309-E313 WeakPolarHBondContact O-CB 3.3Å; L309-E313 PolarHBondContact O-N 3.27Å; L309-L436 HydrophobicContact CB-CD2 4.41Å; L309-L436 HydrophobicContact CD2-CD2 4Å; L309-L436 WeakPolarHBondContact O-CD2 3.2Å; L309-A439 HydrophobicContact CD2-CB 4.12Å; L309-R440 HydrophobicContact CD1-CB 4.21Å; L309-R440 HydrophobicContact CD1-CG 4.39Å; L309-Y444 HydrophobicContact CD1-CD2 4.01Å; L309-Y444 HydrophobicContact CD1-CE2 4.09Å; L309-Y444 HydrophobicContact CD2-CD2 4.18Å; L309-Y444 HydrophobicContact CD2-CE2 3.6Å; L309-Y444 HydrophobicContact CG-CD2 4.04Å; L309-Y444 HydrophobicContact CG-CE2 3.59Å |
| 310 | P | 96.2 | Very high | 94.3 | Very high | 64 Ų | 64 | 50.7 Ų | 50.7 | 42% | 0.416 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.3 | -34 | 173.6 | -25.9 | 36.8 | 0 | 0 | 0 | 113.6 | D306 E313 A314 | D306-P310 WeakPolarHBondContact O-CG 3.32Å; P310-E313 PolarHBondContact O-N 3.42Å; P310-A314 WeakPolarHBondContact O-CB 3.46Å; P310-A314 PolarHBondContact O-N 2.98Å |
| 311 | A | 95.5 | Very high | 94.4 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I298 S307 E308 L309 E313 A314 W315 | I298-A311 HydrophobicContact CG1-CB 3.85Å; S307-A311 WeakPolarHBondContact O-CB 3.33Å; S307-A311 PolarHBondContact O-N 2.8Å; E308-A311 PolarHBondContact O-N 2.83Å; L309-A311 VanDerWaalsContact C-N 3.29Å; L309-A311 PolarHBondContact O-N 3.26Å; A311-E313 VanDerWaalsContact C-N 3.33Å; A311-A314 PolarHBondContact O-N 2.92Å; A311-W315 WeakPolarHBondContact O-CB 3.5Å; A311-W315 PolarHBondContact O-N 3.39Å |
| 312 | I | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 173 | -69.1 | 165.3 | 0 | 0 | 0 | 110.4 | L284 I298 L302 E308 L309 W315 L316 L436 | L284-I312 HydrophobicContact CD2-CG2 3.87Å; I298-I312 HydrophobicContact CD1-CB 4.47Å; I298-I312 HydrophobicContact CD1-CG1 4.01Å; I298-I312 HydrophobicContact CG1-CG1 3.97Å; I298-I312 HydrophobicContact CG2-CD1 4.38Å; I298-I312 HydrophobicContact CG2-CG1 3.8Å; L302-I312 HydrophobicContact CD1-CD1 4.49Å; E308-I312 WeakPolarHBondContact O-CB 3.25Å; E308-I312 VanDerWaalsContact O-CG1 3.23Å; E308-I312 WeakPolarHBondContact O-CG1 3.28Å; E308-I312 PolarHBondContact O-N 2.92Å; L309-I312 PolarHBondContact O-N 3.2Å; I312-W315 PolarHBondContact O-N 3.19Å; I312-L316 WeakPolarHBondContact O-CB 3.45Å; I312-L316 PolarHBondContact O-N 3.35Å; I312-L436 HydrophobicContact CB-CD2 4.02Å; I312-L436 HydrophobicContact CG2-CD2 3.73Å |
| 313 | E | 97.2 | Very high | 94.6 | Very high | 95 Ų | 95 | 55.6 Ų | 55.6 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.1 | -49.1 | 177.9 | -175.4 | 172.2 | -173 | 0 | 0 | 111.7 | L309 P310 A311 L316 T317 V432 L436 | L309-E313 WeakPolarHBondContact O-CB 3.3Å; L309-E313 PolarHBondContact O-N 3.27Å; P310-E313 PolarHBondContact O-N 3.42Å; A311-E313 VanDerWaalsContact C-N 3.33Å; E313-L316 PolarHBondContact O-N 3.33Å; E313-T317 WeakPolarHBondContact O-CB 3.19Å; E313-T317 PolarHBondContact O-N 2.81Å; E313-T317 PolarHBondContact O-OG1 3.29Å; E313-V432 HydrophobicContact CG-CG1 3.86Å; E313-L436 HydrophobicContact CB-CD1 3.72Å; E313-L436 HydrophobicContact CB-CD2 4.13Å; E313-L436 HydrophobicContact CB-CG 4.49Å; E313-L436 HydrophobicContact CG-CD1 3.81Å |
| 314 | A | 95.7 | Very high | 94.8 | Very high | 62 Ų | 62 | 56.4 Ų | 56.4 | 51% | 0.512 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.9 | -46.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P310 A311 Q318 | P310-A314 WeakPolarHBondContact O-CB 3.46Å; P310-A314 PolarHBondContact O-N 2.98Å; A311-A314 PolarHBondContact O-N 2.92Å; A314-Q318 WeakPolarHBondContact O-CB 3.24Å; A314-Q318 PolarHBondContact O-N 3.48Å |
| 315 | W | 95.8 | Very high | 95 | Very high | 13 Ų | 13 | 53 Ų | 53 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -47 | 178 | -174.3 | 98.8 | 0 | 0 | 0 | 111.3 | I280 L284 L293 I298 A311 I312 Q318 K319 | I280-W315 HydrophobicContact CG2-CZ3 4.25Å; L284-W315 HydrophobicContact CB-CE3 4.15Å; L284-W315 HydrophobicContact CB-CH2 3.98Å; L284-W315 HydrophobicContact CB-CZ3 3.55Å; L284-W315 HydrophobicContact CD1-CD2 4.2Å; L284-W315 HydrophobicContact CD1-CE3 3.78Å; L284-W315 HydrophobicContact CD1-CZ3 4.06Å; L284-W315 HydrophobicContact CG-CE3 4.37Å; L284-W315 HydrophobicContact CG-CZ3 4.26Å; L293-W315 HydrophobicContact CD1-CD2 4.4Å; L293-W315 HydrophobicContact CD1-CZ2 4.2Å; L293-W315 HydrophobicContact CD2-CZ2 4.31Å; L293-W315 VanDerWaalsContact CD2-NE1 3.25Å; I298-W315 HydrophobicContact CD1-CB 3.68Å; I298-W315 HydrophobicContact CD1-CG 4.03Å; A311-W315 WeakPolarHBondContact O-CB 3.5Å; A311-W315 PolarHBondContact O-N 3.39Å; I312-W315 PolarHBondContact O-N 3.19Å; W315-Q318 PolarHBondContact O-N 3.11Å; W315-K319 HydrophobicContact CD2-CG 3.99Å; W315-K319 HydrophobicContact CE3-CG 3.89Å; W315-K319 HydrophobicContact CH2-CD 4.47Å; W315-K319 HydrophobicContact CH2-CG 3.83Å; W315-K319 HydrophobicContact CZ2-CD 4.32Å; W315-K319 HydrophobicContact CZ2-CG 3.94Å; W315-K319 HydrophobicContact CZ3-CB 4.28Å; W315-K319 HydrophobicContact CZ3-CG 3.77Å; W315-K319 WeakPolarHBondContact O-CG 3.42Å; W315-K319 PolarHBondContact O-N 3.05Å |
| 316 | L | 96 | Very high | 95.1 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.9 | -44.3 | -177.9 | -175.3 | 61.5 | 0 | 0 | 0 | 111 | I280 V281 I312 E313 Q318 K319 I320 V432 V435 | I280-L316 HydrophobicContact CG2-CD1 3.9Å; V281-L316 HydrophobicContact CG2-CD1 4.02Å; I312-L316 WeakPolarHBondContact O-CB 3.45Å; I312-L316 PolarHBondContact O-N 3.35Å; E313-L316 PolarHBondContact O-N 3.33Å; L316-Q318 PolarHBondContact O-N 2.94Å; L316-K319 PolarHBondContact O-N 3.17Å; L316-I320 HydrophobicContact CD1-CD1 3.88Å; L316-I320 HydrophobicContact CD1-CG1 4.2Å; L316-I320 HydrophobicContact CD2-CD1 4.39Å; L316-I320 HydrophobicContact CG-CD1 3.7Å; L316-I320 HydrophobicContact CG-CG1 4.38Å; L316-I320 WeakPolarHBondContact O-CB 3.34Å; L316-I320 VanDerWaalsContact O-CG1 3.23Å; L316-I320 WeakPolarHBondContact O-CG1 3.41Å; L316-I320 PolarHBondContact O-N 2.88Å; L316-V432 HydrophobicContact CD2-CB 4.4Å; L316-V432 HydrophobicContact CD2-CG1 4.34Å; L316-V432 HydrophobicContact CD2-CG2 4.09Å; L316-V432 HydrophobicContact CG-CG2 4.17Å; L316-V435 HydrophobicContact CD2-CB 3.95Å; L316-V435 HydrophobicContact CD2-CG1 3.89Å; L316-V435 HydrophobicContact CD2-CG2 4.09Å |
| 317 | T | 96.3 | Very high | 95.2 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 28% | 0.276 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | E313 K319 I320 E321 | E313-T317 WeakPolarHBondContact O-CB 3.19Å; E313-T317 PolarHBondContact O-N 2.81Å; E313-T317 PolarHBondContact O-OG1 3.29Å; T317-K319 PolarHBondContact O-N 3.08Å; T317-I320 PolarHBondContact O-N 3.32Å; T317-E321 HydrophobicContact CG2-CG 4.34Å; T317-E321 WeakPolarHBondContact O-CB 3.35Å; T317-E321 WeakPolarHBondContact O-CG 3.48Å; T317-E321 PolarHBondContact O-N 3.46Å |
| 318 | Q | 95.6 | Very high | 95.3 | Very high | 118 Ų | 118 | 45.2 Ų | 45.2 | 55% | 0.551 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -58.9 | -44.6 | 178.1 | -174.4 | -173.4 | 21.9 | 0 | 0 | 112.3 | A314 W315 L316 A322 | A314-Q318 WeakPolarHBondContact O-CB 3.24Å; A314-Q318 PolarHBondContact O-N 3.48Å; W315-Q318 PolarHBondContact O-N 3.11Å; L316-Q318 PolarHBondContact O-N 2.94Å; Q318-A322 WeakPolarHBondContact O-CB 3.28Å; Q318-A322 PolarHBondContact O-N 3.45Å |
| 319 | K | 94.8 | Very high | 95.3 | Very high | 81 Ų | 81 | 45 Ų | 45 | 35% | 0.352 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.4 | -40 | 179.9 | -67.5 | -68.2 | -175.9 | 173.4 | 0 | 112.3 | I280 W315 L316 T317 A322 A323 | I280-K319 HydrophobicContact CG2-CB 3.76Å; W315-K319 HydrophobicContact CD2-CG 3.99Å; W315-K319 HydrophobicContact CE3-CG 3.89Å; W315-K319 HydrophobicContact CH2-CD 4.47Å; W315-K319 HydrophobicContact CH2-CG 3.83Å; W315-K319 HydrophobicContact CZ2-CD 4.32Å; W315-K319 HydrophobicContact CZ2-CG 3.94Å; W315-K319 HydrophobicContact CZ3-CB 4.28Å; W315-K319 HydrophobicContact CZ3-CG 3.77Å; W315-K319 WeakPolarHBondContact O-CG 3.42Å; W315-K319 PolarHBondContact O-N 3.05Å; L316-K319 PolarHBondContact O-N 3.17Å; T317-K319 PolarHBondContact O-N 3.08Å; K319-A322 PolarHBondContact O-N 2.63Å; K319-A323 WeakPolarHBondContact O-CB 3.26Å; K319-A323 PolarHBondContact O-N 3.01Å |
| 320 | I | 95.8 | Very high | 95.3 | Very high | 9 Ų | 9 | 45.1 Ų | 45.1 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 176.5 | -70.6 | 173.4 | 0 | 0 | 0 | 111.1 | L277 L316 T317 A323 L428 V432 | L277-I320 HydrophobicContact CD1-CD1 3.48Å; L277-I320 VanDerWaalsContact CD1-CD1 3.48Å; L277-I320 HydrophobicContact CD1-CG1 3.62Å; L316-I320 HydrophobicContact CD1-CD1 3.88Å; L316-I320 HydrophobicContact CD1-CG1 4.2Å; L316-I320 HydrophobicContact CD2-CD1 4.39Å; L316-I320 HydrophobicContact CG-CD1 3.7Å; L316-I320 HydrophobicContact CG-CG1 4.38Å; L316-I320 WeakPolarHBondContact O-CB 3.34Å; L316-I320 VanDerWaalsContact O-CG1 3.23Å; L316-I320 WeakPolarHBondContact O-CG1 3.41Å; L316-I320 PolarHBondContact O-N 2.88Å; T317-I320 PolarHBondContact O-N 3.32Å; I320-A323 PolarHBondContact O-N 3.2Å; I320-L428 HydrophobicContact CG2-CB 4.08Å; I320-L428 HydrophobicContact CG2-CD1 3.88Å; I320-L428 HydrophobicContact CG2-CD2 4.01Å; I320-L428 HydrophobicContact CG2-CG 4.21Å; I320-V432 HydrophobicContact CD1-CG2 3.62Å |
| 321 | E | 94.3 | Very high | 95.2 | Very high | 133 Ų | 133 | 42.1 Ų | 42.1 | 62% | 0.621 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.1 | -44.1 | 176.3 | -75.5 | -177.7 | 170.4 | 0 | 0 | 111.4 | T317 A323 R324 | T317-E321 HydrophobicContact CG2-CG 4.34Å; T317-E321 WeakPolarHBondContact O-CB 3.35Å; T317-E321 WeakPolarHBondContact O-CG 3.48Å; T317-E321 PolarHBondContact O-N 3.46Å; E321-A323 VanDerWaalsContact C-N 3.29Å; E321-A323 PolarHBondContact O-N 2.97Å; E321-R324 PolarHBondContact O-N 3.28Å |
| 322 | A | 93.8 | Very high | 95.2 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 58% | 0.579 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62.8 | -33.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q318 K319 R324 | Q318-A322 WeakPolarHBondContact O-CB 3.28Å; Q318-A322 PolarHBondContact O-N 3.45Å; K319-A322 PolarHBondContact O-N 2.63Å; A322-R324 PolarHBondContact O-N 2.7Å |
| 323 | A | 94.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.8 | -17.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I280 K319 I320 E321 L325 R373 I475 | I280-A323 HydrophobicContact CD1-CB 3.73Å; K319-A323 WeakPolarHBondContact O-CB 3.26Å; K319-A323 PolarHBondContact O-N 3.01Å; I320-A323 PolarHBondContact O-N 3.2Å; E321-A323 VanDerWaalsContact C-N 3.29Å; E321-A323 PolarHBondContact O-N 2.97Å; A323-L325 VanDerWaalsContact C-N 3.29Å; A323-L325 HydrophobicContact CB-CD2 3.99Å; A323-L325 HydrophobicContact CB-CG 4Å; A323-L325 PolarHBondContact O-N 2.91Å; A323-R373 PolarHBondContact O-NH1 2.86Å; A323-R373 PolarHBondContact O-NH2 2.91Å; A323-I475 HydrophobicContact CB-CD1 4.03Å |
| 324 | R | 94.7 | Very high | 95 | Very high | 129 Ų | 129 | 44.2 Ų | 44.2 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 45.6 | 178.8 | -61.6 | -179.7 | -70 | 156.5 | -5.9 | 113.2 | E321 A322 F326 E327 R373 | E321-R324 PolarHBondContact O-N 3.28Å; A322-R324 PolarHBondContact O-N 2.7Å; R324-F326 HydrophobicContact CB-CD1 4.45Å; R324-F326 HydrophobicContact CB-CE1 3.82Å; R324-F326 HydrophobicContact CB-CZ 4.09Å; R324-F326 HydrophobicContact CG-CE1 4.07Å; R324-F326 HydrophobicContact CG-CZ 4.31Å; R324-F326 PolarHBondContact O-N 3.03Å; R324-E327 HydrophobicContact CB-CG 4.08Å; R324-E327 WeakPolarHBondContact CD-OE1 3.41Å; R324-E327 IonicContact CZ-OE1 2.88Å; R324-E327 VanDerWaalsContact CZ-OE1 3.3Å; R324-E327 IonicContact CZ-OE2 3.33Å; R324-E327 IonicContact NE-OE1 2.75Å; R324-E327 IonicContact NH1-OE1 3.3Å; R324-E327 PolarHBondContact NH1-OE1 3.42Å; R324-E327 IonicContact NH1-OE2 3.57Å; R324-E327 VanDerWaalsContact O-CB 3.31Å; R324-E327 WeakPolarHBondContact O-CB 3.2Å; R324-E327 WeakPolarHBondContact O-CG 3.42Å; R324-E327 PolarHBondContact O-N 2.93Å; R324-R373 PolarHBondContact O-NH1 3.26Å |
| 325 | L | 95.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -60.8 | -21.4 | -173.8 | -61.6 | 179.2 | 0 | 0 | 0 | 114.1 | P273 I276 L277 A323 E327 F328 L428 | P273-L325 HydrophobicContact CB-CB 4.44Å; I276-L325 HydrophobicContact CB-CD2 3.87Å; I276-L325 HydrophobicContact CG2-CD2 3.69Å; L277-L325 HydrophobicContact CB-CD1 3.91Å; L277-L325 HydrophobicContact CD1-CD1 4.48Å; A323-L325 VanDerWaalsContact C-N 3.29Å; A323-L325 HydrophobicContact CB-CD2 3.99Å; A323-L325 HydrophobicContact CB-CG 4Å; A323-L325 PolarHBondContact O-N 2.91Å; L325-E327 PolarHBondContact O-N 2.82Å; L325-F328 PolarHBondContact O-N 3.24Å; L325-F328 VanDerWaalsContact O-N 3.17Å; L325-L428 HydrophobicContact CB-CD1 4.34Å; L325-L428 HydrophobicContact CD1-CD2 3.91Å |
| 326 | F | 94.4 | Very high | 94.8 | Very high | 64 Ų | 64 | 43.9 Ų | 43.9 | 28% | 0.281 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -58.3 | -24.6 | 172.6 | 66.3 | -97.5 | 0 | 0 | 0 | 112.7 | R324 F328 F329 I330 V421 I424 | R324-F326 HydrophobicContact CB-CD1 4.45Å; R324-F326 HydrophobicContact CB-CE1 3.82Å; R324-F326 HydrophobicContact CB-CZ 4.09Å; R324-F326 HydrophobicContact CG-CE1 4.07Å; R324-F326 HydrophobicContact CG-CZ 4.31Å; R324-F326 PolarHBondContact O-N 3.03Å; F326-F328 PolarHBondContact O-N 3.49Å; F326-F329 PolarHBondContact O-N 3.09Å; F326-I330 HydrophobicContact CD2-CD1 4.01Å; F326-I330 HydrophobicContact CE2-CD1 4.17Å; F326-I330 PolarHBondContact O-N 3.49Å; F326-V421 HydrophobicContact CB-CG2 4.32Å; F326-V421 HydrophobicContact CD2-CG2 3.69Å; F326-V421 HydrophobicContact CE2-CG2 4.33Å; F326-V421 HydrophobicContact CG-CG2 4.17Å; F326-I424 HydrophobicContact CB-CB 4.33Å; F326-I424 HydrophobicContact CB-CG2 4.1Å |
| 327 | E | 95.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -59.6 | -28.2 | 178 | -68.5 | 178.5 | 166.9 | 0 | 0 | 111.8 | R324 L325 F329 R373 F374 | R324-E327 HydrophobicContact CB-CG 4.08Å; R324-E327 WeakPolarHBondContact CD-OE1 3.41Å; R324-E327 IonicContact CZ-OE1 2.88Å; R324-E327 VanDerWaalsContact CZ-OE1 3.3Å; R324-E327 IonicContact CZ-OE2 3.33Å; R324-E327 IonicContact NE-OE1 2.75Å; R324-E327 IonicContact NH1-OE1 3.3Å; R324-E327 PolarHBondContact NH1-OE1 3.42Å; R324-E327 IonicContact NH1-OE2 3.57Å; R324-E327 VanDerWaalsContact O-CB 3.31Å; R324-E327 WeakPolarHBondContact O-CB 3.2Å; R324-E327 WeakPolarHBondContact O-CG 3.42Å; R324-E327 PolarHBondContact O-N 2.93Å; L325-E327 PolarHBondContact O-N 2.82Å; E327-F329 PolarHBondContact O-N 2.82Å; E327-R373 HydrophobicContact CB-CB 4.09Å; E327-R373 HydrophobicContact CB-CG 4.05Å; E327-R373 CarbonylContact O-C 3.59Å; E327-R373 WeakPolarHBondContact OE2-CD 3.42Å; E327-R373 IonicContact OE2-CZ 3.67Å; E327-R373 IonicContact OE2-NE 2.65Å; E327-R373 IonicContact OE2-NH1 3.97Å; E327-R373 PolarHBondContact OE2-NH1 2.9Å; E327-F374 HydrophobicContact CB-CE1 4.39Å; E327-F374 HydrophobicContact CB-CE2 4.25Å; E327-F374 HydrophobicContact CB-CZ 4.09Å; E327-F374 VanDerWaalsContact CD-CZ 3.47Å; E327-F374 HydrophobicContact CG-CE1 3.99Å; E327-F374 HydrophobicContact CG-CE2 4.13Å; E327-F374 HydrophobicContact CG-CZ 3.58Å; E327-F374 WeakPolarHBondContact O-CA 3.4Å; E327-F374 PolarHBondContact O-N 2.87Å |
| 328 | F | 94.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 2% | 0.022 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -70.2 | -16.3 | 175.9 | -74.4 | -96.8 | 0 | 0 | 0 | 114 | A272 P273 L325 F326 I365 G371 R373 E479 L482 | A272-F328 HydrophobicContact CB-CD1 4.28Å; A272-F328 HydrophobicContact CB-CE1 4.19Å; P273-F328 HydrophobicContact CB-CB 4Å; P273-F328 HydrophobicContact CB-CD2 4.14Å; P273-F328 HydrophobicContact CB-CG 4Å; P273-F328 HydrophobicContact CG-CB 3.92Å; P273-F328 HydrophobicContact CG-CG 4.25Å; L325-F328 PolarHBondContact O-N 3.24Å; L325-F328 VanDerWaalsContact O-N 3.17Å; F326-F328 PolarHBondContact O-N 3.49Å; F328-I365 WeakPolarHBondContact O-CD1 3.43Å; F328-G371 WeakPolarHBondContact CD1-O 3.22Å; F328-G371 WeakPolarHBondContact CE1-O 3.28Å; F328-R373 HydrophobicContact CD2-CG 4.06Å; F328-R373 HydrophobicContact CE1-CG 4.46Å; F328-R373 HydrophobicContact CE2-CG 3.69Å; F328-R373 HydrophobicContact CZ-CG 3.91Å; F328-E479 HydrophobicContact CZ-CG 4.49Å; F328-L482 HydrophobicContact CE1-CD1 4.36Å |
| 329 | F | 94 | Very high | 94.5 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -108.8 | -7.3 | -173.4 | -63 | -85 | 0 | 0 | 0 | 114 | P273 F326 E327 I365 A376 K420 I424 F512 L515 | P273-F329 HydrophobicContact CB-CE2 3.8Å; P273-F329 HydrophobicContact CB-CZ 4.19Å; P273-F329 HydrophobicContact CG-CD2 4.45Å; P273-F329 HydrophobicContact CG-CE1 4.33Å; P273-F329 HydrophobicContact CG-CE2 3.43Å; P273-F329 VanDerWaalsContact CG-CE2 3.43Å; P273-F329 HydrophobicContact CG-CZ 3.35Å; F326-F329 PolarHBondContact O-N 3.09Å; E327-F329 PolarHBondContact O-N 2.82Å; F329-I365 HydrophobicContact CD1-CD1 4.38Å; F329-A376 WeakPolarHBondContact O-CB 3.41Å; F329-K420 HydrophobicContact CB-CD 4.17Å; F329-K420 HydrophobicContact CB-CG 3.75Å; F329-I424 HydrophobicContact CB-CD1 4.19Å; F329-I424 HydrophobicContact CB-CG1 3.92Å; F329-I424 HydrophobicContact CD1-CD1 3.8Å; F329-I424 HydrophobicContact CD1-CG1 4.46Å; F329-I424 HydrophobicContact CD2-CD1 3.58Å; F329-I424 HydrophobicContact CD2-CG1 3.68Å; F329-I424 HydrophobicContact CD2-CG2 4.16Å; F329-I424 HydrophobicContact CE1-CD1 3.99Å; F329-I424 HydrophobicContact CE2-CD1 3.77Å; F329-I424 HydrophobicContact CE2-CG1 4.27Å; F329-I424 HydrophobicContact CE2-CG2 4.3Å; F329-I424 HydrophobicContact CG-CD1 3.58Å; F329-I424 HydrophobicContact CG-CG1 3.77Å; F329-I424 HydrophobicContact CZ-CD1 3.97Å; F329-F512 HydrophobicContact CE1-CE1 4.01Å; F329-F512 HydrophobicContact CZ-CE1 4.45Å; F329-L515 HydrophobicContact CE2-CD2 4.1Å; F329-L515 HydrophobicContact CZ-CD2 3.88Å |
| 330 | I | 95.5 | Very high | 94.4 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -104.8 | 158.9 | -178.1 | 59.2 | 173.5 | 0 | 0 | 0 | 111.6 | F326 F374 G375 A376 N417 K420 V421 | F326-I330 HydrophobicContact CD2-CD1 4.01Å; F326-I330 HydrophobicContact CE2-CD1 4.17Å; F326-I330 PolarHBondContact O-N 3.49Å; I330-F374 HydrophobicContact CD1-CD1 3.72Å; I330-F374 HydrophobicContact CD1-CE1 3.58Å; I330-F374 HydrophobicContact CG1-CD1 3.89Å; I330-F374 HydrophobicContact CG1-CE1 4.22Å; I330-F374 CarbonylContact O-C 3.45Å; I330-F374 WeakPolarHBondContact O-CA 3.34Å; I330-G375 PolarHBondContact O-N 2.81Å; I330-A376 VanDerWaalsContact C-CB 3.43Å; I330-A376 WeakPolarHBondContact O-CB 3.16Å; I330-A376 PolarHBondContact O-N 2.75Å; I330-A376 VanDerWaalsContact O-N 3.1Å; I330-N417 WeakPolarHBondContact CA-OD1 3.37Å; I330-N417 HydrophobicContact CB-CB 4.22Å; I330-N417 WeakPolarHBondContact CB-OD1 3.46Å; I330-N417 HydrophobicContact CG2-CB 4.02Å; I330-K420 HydrophobicContact CG2-CB 4.39Å; I330-K420 HydrophobicContact CG2-CG 4.49Å; I330-V421 HydrophobicContact CG2-CG2 3.9Å |
| 331 | A | 93.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -89.3 | 142.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V333 V336 L363 A376 L413 N417 | A331-V333 PolarHBondContact O-N 3.48Å; A331-V333 VanDerWaalsContact O-N 3.08Å; A331-V336 HydrophobicContact CB-CG2 4.01Å; A331-L363 HydrophobicContact CB-CD2 3.87Å; A331-A376 WeakPolarHBondContact CA-O 3.41Å; A331-A376 HydrophobicContact CB-CB 4.45Å; A331-A376 VanDerWaalsContact CB-O 3.27Å; A331-A376 WeakPolarHBondContact CB-O 3.47Å; A331-L413 HydrophobicContact CB-CD2 4.13Å; A331-N417 PolarHBondContact N-OD1 2.97Å; A331-N417 PolarHBondContact O-ND2 3.38Å |
| 332 | D | 95.8 | Very high | 94.1 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 25% | 0.246 | 21% | 0.205 | C | C | . | . | trans | -66.1 | 105.8 | 157.6 | -173.9 | -47.6 | 0 | 0 | 0 | 108.2 | D334 I335 V336 F374 | D332-D334 VanDerWaalsContact C-N 3.26Å; D332-D334 PolarHBondContact O-N 3.42Å; D332-D334 PolarHBondContact OD1-N 3.03Å; D332-I335 HydrophobicContact CB-CB 3.93Å; D332-I335 HydrophobicContact CB-CD1 3.98Å; D332-I335 HydrophobicContact CB-CG1 4.12Å; D332-I335 VanDerWaalsContact CG-CG1 3.46Å; D332-I335 PolarHBondContact O-N 2.98Å; D332-I335 WeakPolarHBondContact OD1-CG1 3.21Å; D332-I335 PolarHBondContact OD1-N 3.31Å; D332-I335 WeakPolarHBondContact OD2-CD1 3.46Å; D332-V336 WeakPolarHBondContact O-CB 3.4Å; D332-V336 WeakPolarHBondContact O-CG2 3.3Å; D332-V336 PolarHBondContact O-N 2.82Å; D332-F374 HydrophobicContact CB-CB 3.85Å; D332-F374 PolarHBondContact N-O 2.59Å; D332-F374 VanDerWaalsContact N-O 3.15Å | ||
| 333 | V | 95.1 | Very high | 94 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 14% | 0.139 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.7 | -40.6 | -173.7 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | A331 S337 R410 L413 I414 N417 | A331-V333 PolarHBondContact O-N 3.48Å; A331-V333 VanDerWaalsContact O-N 3.08Å; V333-S337 WeakPolarHBondContact O-CB 3.23Å; V333-S337 PolarHBondContact O-N 2.95Å; V333-S337 VanDerWaalsContact O-N 3.09Å; V333-R410 HydrophobicContact CG1-CB 4.27Å; V333-R410 HydrophobicContact CG1-CG 3.17Å; V333-L413 HydrophobicContact CG2-CB 4.23Å; V333-I414 HydrophobicContact CG1-CD1 4.46Å; V333-I414 HydrophobicContact CG1-CG1 4.04Å; V333-I414 HydrophobicContact CG2-CG1 4.12Å; V333-N417 VanDerWaalsContact CG2-ND2 3.35Å; V333-N417 WeakPolarHBondContact CG2-ND2 3.23Å |
| 334 | D | 94.2 | Very high | 93.7 | Very high | 87 Ų | 87 | 37.9 Ų | 37.9 | 47% | 0.465 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -78.4 | -40.2 | -175.5 | -65.8 | -36.1 | 0 | 0 | 0 | 111.2 | D332 K338 | D332-D334 VanDerWaalsContact C-N 3.26Å; D332-D334 PolarHBondContact O-N 3.42Å; D332-D334 PolarHBondContact OD1-N 3.03Å; D334-K338 WeakPolarHBondContact O-CB 3.25Å; D334-K338 WeakPolarHBondContact O-CD 3.31Å; D334-K338 WeakPolarHBondContact O-CG 3.39Å; D334-K338 PolarHBondContact O-N 2.99Å |
| 335 | I | 94.1 | Very high | 93.4 | Very high | 68 Ų | 68 | 37.2 Ų | 37.2 | 35% | 0.349 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.1 | -51.6 | 177.1 | -65.7 | 176.2 | 0 | 0 | 0 | 110.4 | D332 S337 K338 E339 | D332-I335 HydrophobicContact CB-CB 3.93Å; D332-I335 HydrophobicContact CB-CD1 3.98Å; D332-I335 HydrophobicContact CB-CG1 4.12Å; D332-I335 VanDerWaalsContact CG-CG1 3.46Å; D332-I335 PolarHBondContact O-N 2.98Å; D332-I335 WeakPolarHBondContact OD1-CG1 3.21Å; D332-I335 PolarHBondContact OD1-N 3.31Å; D332-I335 WeakPolarHBondContact OD2-CD1 3.46Å; I335-S337 VanDerWaalsContact C-N 3.34Å; I335-S337 PolarHBondContact O-N 2.95Å; I335-K338 PolarHBondContact O-N 2.78Å; I335-E339 HydrophobicContact CG2-CG 4.41Å; I335-E339 WeakPolarHBondContact O-CG 3.38Å; I335-E339 PolarHBondContact O-N 2.79Å |
| 336 | V | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.5 | -38.4 | -176.4 | 178 | 0 | 0 | 0 | 0 | 110.9 | A331 D332 K338 E339 F340 V378 F380 L413 | A331-V336 HydrophobicContact CB-CG2 4.01Å; D332-V336 WeakPolarHBondContact O-CB 3.4Å; D332-V336 WeakPolarHBondContact O-CG2 3.3Å; D332-V336 PolarHBondContact O-N 2.82Å; V336-K338 PolarHBondContact O-N 2.88Å; V336-E339 PolarHBondContact O-N 3.15Å; V336-F340 WeakPolarHBondContact O-CB 3.25Å; V336-F340 PolarHBondContact O-N 3.37Å; V336-V378 HydrophobicContact CG1-CG2 4.44Å; V336-F380 HydrophobicContact CG1-CE1 4.05Å; V336-L413 HydrophobicContact CB-CD1 3.86Å; V336-L413 HydrophobicContact CG1-CD1 3.76Å; V336-L413 HydrophobicContact CG1-CD2 4.31Å |
| 337 | S | 93.2 | Very high | 92.3 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 172.8 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | V333 I335 F340 T341 G406 | V333-S337 WeakPolarHBondContact O-CB 3.23Å; V333-S337 PolarHBondContact O-N 2.95Å; V333-S337 VanDerWaalsContact O-N 3.09Å; I335-S337 VanDerWaalsContact C-N 3.34Å; I335-S337 PolarHBondContact O-N 2.95Å; S337-F340 PolarHBondContact O-N 2.85Å; S337-T341 PolarHBondContact O-N 3.38Å; S337-T341 PolarHBondContact O-OG1 3.16Å; S337-G406 VanDerWaalsContact OG-C 3.31Å; S337-G406 PolarHBondContact OG-O 3.47Å |
| 338 | K | 93.4 | Very high | 91.2 | Very high | 151 Ų | 151 | 48.4 Ų | 48.4 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.6 | -38.7 | 177.3 | -76.5 | 170.4 | -175.9 | 170.5 | 0 | 112.5 | D334 I335 V336 F340 T341 S342 | D334-K338 WeakPolarHBondContact O-CB 3.25Å; D334-K338 WeakPolarHBondContact O-CD 3.31Å; D334-K338 WeakPolarHBondContact O-CG 3.39Å; D334-K338 PolarHBondContact O-N 2.99Å; I335-K338 PolarHBondContact O-N 2.78Å; V336-K338 PolarHBondContact O-N 2.88Å; K338-F340 VanDerWaalsContact C-N 3.34Å; K338-T341 PolarHBondContact O-N 2.82Å; K338-S342 WeakPolarHBondContact O-CB 3.47Å; K338-S342 PolarHBondContact O-N 2.96Å |
| 339 | E | 93.6 | Very high | 90.1 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 33% | 0.327 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 174.7 | -74.8 | 179 | 162.1 | 0 | 0 | 111.3 | I335 V336 S342 W343 R369 F380 | I335-E339 HydrophobicContact CG2-CG 4.41Å; I335-E339 WeakPolarHBondContact O-CG 3.38Å; I335-E339 PolarHBondContact O-N 2.79Å; V336-E339 PolarHBondContact O-N 3.15Å; E339-S342 PolarHBondContact O-N 3.4Å; E339-W343 VanDerWaalsContact O-CB 3.26Å; E339-W343 WeakPolarHBondContact O-CB 3.17Å; E339-W343 PolarHBondContact O-N 2.87Å; E339-R369 VanDerWaalsContact CD-NH1 3.35Å; E339-R369 IonicContact OE1-CZ 3.51Å; E339-R369 IonicContact OE1-NH1 3.83Å; E339-R369 PolarHBondContact OE1-NH1 2.84Å; E339-R369 IonicContact OE1-NH2 2.68Å; E339-R369 IonicContact OE2-CZ 3.63Å; E339-R369 IonicContact OE2-NH1 2.78Å; E339-R369 PolarHBondContact OE2-NH1 2.98Å; E339-R369 IonicContact OE2-NH2 3.61Å; E339-R369 PolarHBondContact OE2-NH2 3.25Å; E339-F380 HydrophobicContact CB-CE2 4.21Å; E339-F380 HydrophobicContact CB-CZ 3.84Å |
| 340 | F | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65 | -44 | 174.8 | -177.7 | -120.1 | 0 | 0 | 0 | 112.3 | V336 S337 K338 S342 W343 L344 F380 A383 C384 I387 A405 L409 | V336-F340 WeakPolarHBondContact O-CB 3.25Å; V336-F340 PolarHBondContact O-N 3.37Å; S337-F340 PolarHBondContact O-N 2.85Å; K338-F340 VanDerWaalsContact C-N 3.34Å; F340-S342 VanDerWaalsContact C-N 3.31Å; F340-S342 PolarHBondContact O-N 2.95Å; F340-W343 HydrophobicContact CD2-CE3 4.34Å; F340-W343 HydrophobicContact CE2-CE3 4.22Å; F340-W343 HydrophobicContact CE2-CZ3 4.49Å; F340-W343 WeakPolarHBondContact O-CB 3.47Å; F340-W343 PolarHBondContact O-N 2.78Å; F340-W343 VanDerWaalsContact O-N 3.11Å; F340-L344 HydrophobicContact CD1-CD1 3.76Å; F340-L344 HydrophobicContact CD1-CG 4.48Å; F340-L344 HydrophobicContact CD2-CD1 4.47Å; F340-L344 HydrophobicContact CD2-CG 4.35Å; F340-L344 HydrophobicContact CE1-CD1 3.45Å; F340-L344 VanDerWaalsContact CE1-CD1 3.45Å; F340-L344 HydrophobicContact CE1-CG 4.24Å; F340-L344 HydrophobicContact CE2-CD1 4.18Å; F340-L344 HydrophobicContact CE2-CD2 4.16Å; F340-L344 HydrophobicContact CE2-CG 4.07Å; F340-L344 HydrophobicContact CG-CD1 4.28Å; F340-L344 HydrophobicContact CZ-CD1 3.68Å; F340-L344 HydrophobicContact CZ-CD2 4.06Å; F340-L344 HydrophobicContact CZ-CG 4.02Å; F340-L344 WeakPolarHBondContact O-CG 3.29Å; F340-L344 PolarHBondContact O-N 2.81Å; F340-F380 HydrophobicContact CB-CD1 4.43Å; F340-F380 HydrophobicContact CB-CE1 4.2Å; F340-F380 HydrophobicContact CD2-CB 4.22Å; F340-F380 AromaticContact CD2-CD1 3.94Å; F340-F380 HydrophobicContact CD2-CD1 3.94Å; F340-F380 HydrophobicContact CD2-CG 4.1Å; F340-A383 HydrophobicContact CD2-CB 4.43Å; F340-A383 HydrophobicContact CE2-CB 3.87Å; F340-A383 HydrophobicContact CZ-CB 4.13Å; F340-C384 HydrophobicContact CE2-CB 4.29Å; F340-C384 HydrophobicContact CZ-CB 4.48Å; F340-I387 HydrophobicContact CE1-CD1 4.29Å; F340-A405 HydrophobicContact CE1-CB 4.39Å; F340-L409 HydrophobicContact CB-CD2 3.37Å; F340-L409 HydrophobicContact CD1-CB 3.78Å; F340-L409 HydrophobicContact CD1-CD2 3.38Å; F340-L409 HydrophobicContact CD1-CG 4.19Å; F340-L409 HydrophobicContact CD2-CD2 4.09Å; F340-L409 HydrophobicContact CE1-CB 4.03Å; F340-L409 HydrophobicContact CE1-CD2 4.1Å; F340-L409 HydrophobicContact CG-CD2 3.35Å |
| 341 | T | 91.9 | Very high | 87.4 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 172.5 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | S337 K338 W343 R345 A402 E403 G406 | S337-T341 PolarHBondContact O-N 3.38Å; S337-T341 PolarHBondContact O-OG1 3.16Å; K338-T341 PolarHBondContact O-N 2.82Å; T341-W343 VanDerWaalsContact C-N 3.35Å; T341-R345 VanDerWaalsContact O-CG 3.31Å; T341-R345 WeakPolarHBondContact O-CG 3.4Å; T341-R345 PolarHBondContact O-N 3.02Å; T341-A402 HydrophobicContact CG2-CB 3.91Å; T341-A402 PolarHBondContact OG1-O 3.36Å; T341-A402 VanDerWaalsContact OG1-O 3.06Å; T341-E403 HydrophobicContact CG2-CG 4.47Å; T341-G406 WeakPolarHBondContact OG1-CA 3.48Å |
| 342 | S | 91.3 | Very high | 85.7 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 174.3 | -165.6 | 0 | 0 | 0 | 0 | 112.2 | K338 E339 F340 R345 K346 | K338-S342 WeakPolarHBondContact O-CB 3.47Å; K338-S342 PolarHBondContact O-N 2.96Å; E339-S342 PolarHBondContact O-N 3.4Å; F340-S342 VanDerWaalsContact C-N 3.31Å; F340-S342 PolarHBondContact O-N 2.95Å; S342-R345 PolarHBondContact O-N 3.32Å; S342-K346 WeakPolarHBondContact O-CG 3.44Å; S342-K346 PolarHBondContact O-N 3.02Å; S342-K346 PolarHBondContact OG-NZ 3.12Å |
| 343 | W | 91.7 | Very high | 83.9 | Confident | 36 Ų | 36 | 69.2 Ų | 69.2 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 178.2 | -175.7 | 94.8 | 0 | 0 | 0 | 111 | E339 F340 T341 R345 K346 H347 P351 F380 C384 | E339-W343 VanDerWaalsContact O-CB 3.26Å; E339-W343 WeakPolarHBondContact O-CB 3.17Å; E339-W343 PolarHBondContact O-N 2.87Å; F340-W343 HydrophobicContact CD2-CE3 4.34Å; F340-W343 HydrophobicContact CE2-CE3 4.22Å; F340-W343 HydrophobicContact CE2-CZ3 4.49Å; F340-W343 WeakPolarHBondContact O-CB 3.47Å; F340-W343 PolarHBondContact O-N 2.78Å; F340-W343 VanDerWaalsContact O-N 3.11Å; T341-W343 VanDerWaalsContact C-N 3.35Å; W343-R345 VanDerWaalsContact C-N 3.27Å; W343-R345 PolarHBondContact O-N 3.41Å; W343-K346 PolarHBondContact O-N 3.49Å; W343-K346 VanDerWaalsContact O-N 3.11Å; W343-H347 AromaticContact CD1-CE1 3.03Å; W343-H347 AromaticContact CD1-ND1 3.39Å; W343-H347 AromaticContact CD1-NE2 3.68Å; W343-H347 AromaticContact CD2-CG 3.96Å; W343-H347 AromaticContact CD2-ND1 3.64Å; W343-H347 AromaticContact CE2-CD2 3.65Å; W343-H347 AromaticContact CE2-CE1 3.62Å; W343-H347 AromaticContact CE2-CG 3.6Å; W343-H347 AromaticContact CE2-ND1 3.55Å; W343-H347 AromaticContact CE2-NE2 3.67Å; W343-H347 AromaticContact CG-CE1 3.68Å; W343-H347 AromaticContact CG-ND1 3.53Å; W343-H347 HydrophobicContact CZ2-CB 4.43Å; W343-H347 AromaticContact CZ2-CD2 3.73Å; W343-H347 AromaticContact CZ2-CG 3.86Å; W343-H347 AromaticContact NE1-CD2 3.62Å; W343-H347 AromaticContact NE1-CE1 2.99Å; W343-H347 PolarHBondContact NE1-CE1 3.42Å; W343-H347 AromaticContact NE1-CG 3.79Å; W343-H347 AromaticContact NE1-ND1 3.4Å; W343-H347 PolarHBondContact NE1-ND1 2.8Å; W343-H347 AromaticContact NE1-NE2 3.12Å; W343-H347 PolarHBondContact NE1-NE2 2.95Å; W343-H347 VanDerWaalsContact NE1-NE2 3.12Å; W343-H347 PolarHBondContact O-N 2.98Å; W343-H347 PolarHBondContact O-ND1 3.44Å; W343-P351 HydrophobicContact CH2-CG 4.32Å; W343-F380 HydrophobicContact CB-CD2 3.94Å; W343-F380 HydrophobicContact CB-CE2 4.29Å; W343-F380 AromaticContact CD1-CD2 3.49Å; W343-F380 VanDerWaalsContact CD1-CD2 3.49Å; W343-F380 HydrophobicContact CD2-CB 3.86Å; W343-F380 HydrophobicContact CD2-CD2 4.23Å; W343-F380 HydrophobicContact CD2-CG 4.43Å; W343-F380 HydrophobicContact CE3-CB 4.28Å; W343-F380 HydrophobicContact CG-CB 4.18Å; W343-F380 AromaticContact CG-CD2 3.63Å; W343-F380 HydrophobicContact CG-CD2 3.63Å; W343-F380 HydrophobicContact CG-CE2 4.4Å; W343-F380 HydrophobicContact CG-CG 4.26Å; W343-F380 HydrophobicContact CZ2-CB 4.24Å; W343-C384 HydrophobicContact CH2-CB 4.1Å; W343-C384 HydrophobicContact CZ3-CB 3.77Å |
| 344 | L | 89.1 | Confident | 82 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.7 | -29.5 | 176.7 | -71.1 | 169.6 | 0 | 0 | 0 | 113.4 | F340 V388 L395 P396 L397 A402 A405 | F340-L344 HydrophobicContact CD1-CD1 3.76Å; F340-L344 HydrophobicContact CD1-CG 4.48Å; F340-L344 HydrophobicContact CD2-CD1 4.47Å; F340-L344 HydrophobicContact CD2-CG 4.35Å; F340-L344 HydrophobicContact CE1-CD1 3.45Å; F340-L344 VanDerWaalsContact CE1-CD1 3.45Å; F340-L344 HydrophobicContact CE1-CG 4.24Å; F340-L344 HydrophobicContact CE2-CD1 4.18Å; F340-L344 HydrophobicContact CE2-CD2 4.16Å; F340-L344 HydrophobicContact CE2-CG 4.07Å; F340-L344 HydrophobicContact CG-CD1 4.28Å; F340-L344 HydrophobicContact CZ-CD1 3.68Å; F340-L344 HydrophobicContact CZ-CD2 4.06Å; F340-L344 HydrophobicContact CZ-CG 4.02Å; F340-L344 WeakPolarHBondContact O-CG 3.29Å; F340-L344 PolarHBondContact O-N 2.81Å; L344-V388 HydrophobicContact CD2-CG2 4.13Å; L344-L395 HydrophobicContact CB-CD2 4.48Å; L344-L395 HydrophobicContact CD2-CD2 3.87Å; L344-L395 WeakPolarHBondContact O-CD2 3.36Å; L344-P396 WeakPolarHBondContact O-CA 3.44Å; L344-L397 HydrophobicContact CB-CD1 4.37Å; L344-L397 HydrophobicContact CD1-CD1 4.09Å; L344-L397 HydrophobicContact CD2-CD1 4.23Å; L344-L397 HydrophobicContact CG-CD1 4.48Å; L344-L397 PolarHBondContact O-N 3.42Å; L344-A402 HydrophobicContact CB-CB 4.33Å; L344-A405 HydrophobicContact CD1-CB 3.6Å |
| 345 | R | 87 | Confident | 80.2 | Confident | 114 Ų | 114 | 68.4 Ų | 68.4 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -80 | -18.8 | 176 | -71.3 | 173.1 | 69.2 | 161.3 | 10.8 | 113.8 | T341 S342 W343 P396 E399 A402 | T341-R345 VanDerWaalsContact O-CG 3.31Å; T341-R345 WeakPolarHBondContact O-CG 3.4Å; T341-R345 PolarHBondContact O-N 3.02Å; S342-R345 PolarHBondContact O-N 3.32Å; W343-R345 VanDerWaalsContact C-N 3.27Å; W343-R345 PolarHBondContact O-N 3.41Å; R345-P396 VanDerWaalsContact O-CB 3.27Å; R345-P396 WeakPolarHBondContact O-CB 3.27Å; R345-E399 IonicContact CZ-OE1 3.89Å; R345-E399 VanDerWaalsContact CZ-OE1 3.31Å; R345-E399 IonicContact NH1-OE1 3.41Å; R345-E399 PolarHBondContact NH1-OE1 2.96Å; R345-E399 IonicContact NH2-OE1 3.71Å; R345-E399 PolarHBondContact NH2-OE1 2.88Å; R345-E399 VanDerWaalsContact NH2-OE1 3.09Å; R345-A402 HydrophobicContact CG-CB 3.74Å |
| 346 | K | 86.4 | Confident | 78.2 | Confident | 159 Ų | 159 | 70 Ų | 70 | 69% | 0.691 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -105.4 | -31.4 | -174.6 | -74.6 | 174.8 | 179.2 | 167.9 | 0 | 113.7 | S342 W343 | S342-K346 WeakPolarHBondContact O-CG 3.44Å; S342-K346 PolarHBondContact O-N 3.02Å; S342-K346 PolarHBondContact OG-NZ 3.12Å; W343-K346 PolarHBondContact O-N 3.49Å; W343-K346 VanDerWaalsContact O-N 3.11Å |
| 347 | H | 81.3 | Confident | 76.2 | Confident | 77 Ų | 77 | 77 Ų | 77 | 36% | 0.356 | 41% | 0.412 | S | S | . | . | trans | -80 | 132.4 | -175.8 | -74.2 | 66.2 | 0 | 0 | 0 | 110.4 | W343 L395 | W343-H347 AromaticContact CD1-CE1 3.03Å; W343-H347 AromaticContact CD1-ND1 3.39Å; W343-H347 AromaticContact CD1-NE2 3.68Å; W343-H347 AromaticContact CD2-CG 3.96Å; W343-H347 AromaticContact CD2-ND1 3.64Å; W343-H347 AromaticContact CE2-CD2 3.65Å; W343-H347 AromaticContact CE2-CE1 3.62Å; W343-H347 AromaticContact CE2-CG 3.6Å; W343-H347 AromaticContact CE2-ND1 3.55Å; W343-H347 AromaticContact CE2-NE2 3.67Å; W343-H347 AromaticContact CG-CE1 3.68Å; W343-H347 AromaticContact CG-ND1 3.53Å; W343-H347 HydrophobicContact CZ2-CB 4.43Å; W343-H347 AromaticContact CZ2-CD2 3.73Å; W343-H347 AromaticContact CZ2-CG 3.86Å; W343-H347 AromaticContact NE1-CD2 3.62Å; W343-H347 AromaticContact NE1-CE1 2.99Å; W343-H347 PolarHBondContact NE1-CE1 3.42Å; W343-H347 AromaticContact NE1-CG 3.79Å; W343-H347 AromaticContact NE1-ND1 3.4Å; W343-H347 PolarHBondContact NE1-ND1 2.8Å; W343-H347 AromaticContact NE1-NE2 3.12Å; W343-H347 PolarHBondContact NE1-NE2 2.95Å; W343-H347 VanDerWaalsContact NE1-NE2 3.12Å; W343-H347 PolarHBondContact O-N 2.98Å; W343-H347 PolarHBondContact O-ND1 3.44Å; H347-L395 WeakPolarHBondContact O-CB 3.19Å | ||
| 348 | A | 72.2 | Confident | 74.6 | Confident | 75 Ų | 75 | 80.4 Ų | 80.4 | 62% | 0.62 | 43% | 0.429 | S | S | * | . | trans | -94.1 | -11.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 349 | T | 70.9 | Confident | 73 | Confident | 112 Ų | 112 | 77.3 Ų | 77.3 | 69% | 0.687 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -141.9 | 143.8 | -175.8 | 41.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 350 | F | 67.8 | Low | 72.3 | Confident | 62 Ų | 62 | 80.1 Ų | 80.1 | 27% | 0.272 | 44% | 0.44 | S | S | . | . | trans | -64.5 | 140.3 | 169.1 | -103.2 | -92.6 | 0 | 0 | 0 | 109.9 | S352 C384 V388 G389 L395 | F350-S352 PolarHBondContact O-N 3.05Å; F350-C384 WeakPolarHBondContact CE1-SG 3.5Å; F350-V388 HydrophobicContact CZ-CB 4.11Å; F350-V388 HydrophobicContact CZ-CG1 3.86Å; F350-G389 VanDerWaalsContact CZ-O 3.29Å; F350-G389 WeakPolarHBondContact CZ-O 3.38Å; F350-L395 HydrophobicContact CD2-CD1 3.65Å; F350-L395 HydrophobicContact CD2-CG 4.06Å; F350-L395 HydrophobicContact CE2-CD1 3.95Å; F350-L395 HydrophobicContact CE2-CG 4.03Å; F350-L395 HydrophobicContact CG-CD1 4.11Å | ||
| 351 | P | 64.7 | Low | 72 | Confident | 44 Ų | 44 | 80.3 Ų | 80.3 | 29% | 0.286 | 44% | 0.441 | S | S | . | . | trans | -57 | 121 | 173.6 | -18.6 | 28.1 | 0 | 0 | 0 | 110.5 | W343 F353 | W343-P351 HydrophobicContact CH2-CG 4.32Å; P351-F353 VanDerWaalsContact C-N 3.28Å; P351-F353 PolarHBondContact O-N 3.47Å | ||
| 352 | S | 59.5 | Low | 71.9 | Confident | 128 Ų | 128 | 82.1 Ų | 82.1 | 90% | 0.895 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -75.1 | -12 | -171.4 | 51.6 | 0 | 0 | 0 | 0 | 114.6 | F350 | F350-S352 PolarHBondContact O-N 3.05Š|
| 353 | F | 57.5 | Low | 71.9 | Confident | 168 Ų | 168 | 80.9 Ų | 80.9 | 74% | 0.737 | 44% | 0.444 | S | S | * | . | trans | -149.4 | 121.9 | -176.3 | -165.4 | -99.2 | 0 | 0 | 0 | 111.7 | P351 | P351-F353 VanDerWaalsContact C-N 3.28Å; P351-F353 PolarHBondContact O-N 3.47Å | ||
| 354 | I | 55.9 | Low | 71.7 | Confident | 44 Ų | 44 | 82.6 Ų | 82.6 | 23% | 0.226 | 45% | 0.453 | C | S | . | . | trans | -109.1 | 129 | 163.4 | -64.7 | 170.1 | 0 | 0 | 0 | 105.9 | H385 | I354-H385 HydrophobicContact CD1-CB 3.39Å; I354-H385 VanDerWaalsContact CD1-CG 3.44Å | ||
| 355 | S | 56.1 | Low | 71.6 | Confident | 49 Ų | 49 | 85 Ų | 85 | 34% | 0.343 | 47% | 0.465 | S | S | . | . | trans | -57.3 | 133.6 | 173.6 | 172.4 | 0 | 0 | 0 | 0 | 109.6 | N357 D358 | S355-N357 PolarHBondContact O-N 3.2Å; S355-D358 PolarHBondContact O-N 3.2Å | ||
| 356 | P | 51.7 | Low | 71.4 | Confident | 101 Ų | 101 | 84.2 Ų | 84.2 | 66% | 0.656 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.6 | -179.2 | 19.9 | -29.5 | 0 | 0 | 0 | 114.1 | ||
| 357 | N | 52.3 | Low | 71.2 | Confident | 148 Ų | 148 | 78.5 Ų | 78.5 | 79% | 0.791 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -13.6 | 176.2 | -70.4 | -8.2 | 0 | 0 | 0 | 114.2 | S355 | S355-N357 PolarHBondContact O-N 3.2Š|
| 358 | D | 59 | Low | 71.3 | Confident | 82 Ų | 82 | 79.5 Ų | 79.5 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | trans | -110.2 | 42.5 | -175.8 | -91.3 | -40.5 | 0 | 0 | 0 | 111.5 | S355 I382 | S355-D358 PolarHBondContact O-N 3.2Å; D358-I382 HydrophobicContact CB-CD1 4.18Å; D358-I382 VanDerWaalsContact O-CD1 3.25Å; D358-I382 WeakPolarHBondContact O-CD1 3.39Å | ||
| 359 | T | 59.9 | Low | 72 | Confident | 87 Ų | 87 | 78.7 Ų | 78.7 | 53% | 0.534 | 46% | 0.458 | S | S | . | . | trans | -82.3 | -18.4 | -176.6 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 360 | N | 78 | Confident | 72.8 | Confident | 128 Ų | 128 | 77.9 Ų | 77.9 | 68% | 0.684 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -96.7 | 121.9 | -176.7 | -74.1 | -13.6 | 0 | 0 | 0 | 111.5 | S362 | N360-S362 PolarHBondContact O-N 3.37Š|
| 361 | L | 88 | Confident | 73.6 | Confident | 5 Ų | 5 | 75.5 Ų | 75.5 | 3% | 0.026 | 44% | 0.438 | C | S | . | . | trans | -62.2 | 122.8 | 171.5 | -167.6 | 69 | 0 | 0 | 0 | 110.5 | V378 I382 A383 E386 L409 R412 L416 | L361-V378 HydrophobicContact CD1-CB 3.73Å; L361-V378 HydrophobicContact CD1-CG1 4.29Å; L361-V378 HydrophobicContact CD1-CG2 4.14Å; L361-V378 HydrophobicContact CG-CB 4.21Å; L361-V378 HydrophobicContact CG-CG1 4.23Å; L361-I382 HydrophobicContact CB-CG2 4.15Å; L361-I382 HydrophobicContact CD1-CB 4.04Å; L361-I382 HydrophobicContact CD1-CG2 3.94Å; L361-A383 HydrophobicContact CD1-CB 3.82Å; L361-A383 HydrophobicContact CD2-CB 4.16Å; L361-E386 WeakPolarHBondContact CB-OE2 3.15Å; L361-E386 PolarHBondContact N-OE2 3.07Å; L361-L409 HydrophobicContact CD2-CD1 4.03Å; L361-R412 HydrophobicContact CD2-CG 4.01Å; L361-L416 HydrophobicContact CD2-CD1 4.23Å; L361-L416 HydrophobicContact CG-CD1 4.21Å | ||
| 362 | S | 89.9 | Confident | 74.8 | Confident | 57 Ų | 57 | 80.1 Ų | 80.1 | 40% | 0.399 | 45% | 0.45 | S | S | . | . | trans | -136.7 | 154.1 | 179.9 | 54.7 | 0 | 0 | 0 | 0 | 110.9 | N360 | N360-S362 PolarHBondContact O-N 3.37Š| ||
| 363 | L | 91.8 | Very high | 76.4 | Confident | 23 Ų | 23 | 76.6 Ų | 76.6 | 12% | 0.12 | 42% | 0.417 | C | S | . | . | trans | -70.7 | 132.9 | 174.6 | -66.8 | 172.4 | 0 | 0 | 0 | 110.3 | A331 A376 T377 V378 L413 L416 N417 K420 | A331-L363 HydrophobicContact CB-CD2 3.87Å; L363-A376 HydrophobicContact CB-CB 4.31Å; L363-A376 HydrophobicContact CD2-CB 4.33Å; L363-T377 WeakPolarHBondContact CA-O 3.31Å; L363-V378 HydrophobicContact CD2-CG1 3.97Å; L363-L413 HydrophobicContact CD2-CD2 4.15Å; L363-L416 HydrophobicContact CD1-CB 4.12Å; L363-L416 HydrophobicContact CD2-CB 4.36Å; L363-L416 HydrophobicContact CG-CB 3.98Å; L363-N417 WeakPolarHBondContact CD1-OD1 3.41Å; L363-K420 HydrophobicContact CD1-CB 3.85Å; L363-K420 HydrophobicContact CD1-CG 4.21Å | ||
| 364 | K | 87.3 | Confident | 78.1 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -123.7 | 141 | 178 | -64 | -177.5 | 179.1 | -179.5 | 0 | 110.1 | D366 A376 T377 | K364-D366 PolarHBondContact O-N 3.19Å; K364-A376 WeakPolarHBondContact O-CA 3.48Å; K364-T377 PolarHBondContact N-O 3.01Å; K364-T377 PolarHBondContact O-N 2.82Å |
| 365 | I | 87.1 | Confident | 79.8 | Confident | 49 Ų | 49 | 70.2 Ų | 70.2 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | trans | -88.7 | 81.6 | 174.8 | -50.3 | -55 | 0 | 0 | 0 | 108.5 | P269 F328 F329 K370 A376 | P269-I365 HydrophobicContact CB-CG2 4.22Å; F328-I365 WeakPolarHBondContact O-CD1 3.43Å; F329-I365 HydrophobicContact CD1-CD1 4.38Å; I365-K370 HydrophobicContact CG2-CB 4.17Å; I365-A376 HydrophobicContact CD1-CB 3.88Å | ||
| 366 | D | 82.1 | Confident | 81.5 | Confident | 99 Ų | 99 | 67.9 Ų | 67.9 | 53% | 0.529 | 37% | 0.371 | S | S | . | . | trans | -145.2 | 170.7 | -175.4 | -165.4 | 18.2 | 0 | 0 | 0 | 112.1 | K364 T377 | K364-D366 PolarHBondContact O-N 3.19Å; D366-T377 HydrophobicContact CB-CG2 4.47Å | ||
| 367 | G | 82.7 | Confident | 83.5 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 40% | 0.402 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 82.3 | -169.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R369 K370 | G367-R369 PolarHBondContact O-N 3.39Å; G367-K370 WeakPolarHBondContact O-CB 3.5Å; G367-K370 WeakPolarHBondContact O-CD 3.28Å; G367-K370 WeakPolarHBondContact O-CG 3.43Å; G367-K370 PolarHBondContact O-N 2.98Å |
| 368 | A | 82.1 | Confident | 85.4 | Confident | 98 Ų | 98 | 57.4 Ų | 57.4 | 81% | 0.81 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -19.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 369 | R | 88.5 | Confident | 86.9 | Confident | 57 Ų | 57 | 56.2 Ų | 56.2 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 1.9 | 178 | -62.1 | -176 | -65.9 | -76.7 | -1 | 113.8 | E339 G367 R372 G375 | E339-R369 VanDerWaalsContact CD-NH1 3.35Å; E339-R369 IonicContact OE1-CZ 3.51Å; E339-R369 IonicContact OE1-NH1 3.83Å; E339-R369 PolarHBondContact OE1-NH1 2.84Å; E339-R369 IonicContact OE1-NH2 2.68Å; E339-R369 IonicContact OE2-CZ 3.63Å; E339-R369 IonicContact OE2-NH1 2.78Å; E339-R369 PolarHBondContact OE2-NH1 2.98Å; E339-R369 IonicContact OE2-NH2 3.61Å; E339-R369 PolarHBondContact OE2-NH2 3.25Å; G367-R369 PolarHBondContact O-N 3.39Å; R369-R372 WeakPolarHBondContact O-CB 3.35Å; R369-R372 PolarHBondContact O-N 3.41Å; R369-G375 VanDerWaalsContact O-CA 3.27Å; R369-G375 WeakPolarHBondContact O-CA 3.46Å |
| 370 | K | 86.3 | Confident | 88.4 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 42% | 0.417 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 139.7 | -178.6 | 71.2 | -169.8 | -175.2 | 175.8 | 0 | 112 | P269 I365 G367 R372 | P269-K370 HydrophobicContact CB-CB 4.17Å; P269-K370 HydrophobicContact CB-CG 4.09Å; P269-K370 HydrophobicContact CG-CB 4.22Å; P269-K370 HydrophobicContact CG-CD 3.82Å; P269-K370 HydrophobicContact CG-CG 3.73Å; I365-K370 HydrophobicContact CG2-CB 4.17Å; G367-K370 WeakPolarHBondContact O-CB 3.5Å; G367-K370 WeakPolarHBondContact O-CD 3.28Å; G367-K370 WeakPolarHBondContact O-CG 3.43Å; G367-K370 PolarHBondContact O-N 2.98Å; K370-R372 PolarHBondContact O-N 2.86Å |
| 371 | G | 84.7 | Confident | 88.8 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 7.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | F328 | F328-G371 WeakPolarHBondContact CD1-O 3.22Å; F328-G371 WeakPolarHBondContact CE1-O 3.28Å |
| 372 | R | 90.3 | Very high | 88.7 | Confident | 141 Ų | 141 | 49.8 Ų | 49.8 | 53% | 0.532 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -110.6 | 161.5 | 174.2 | -54.5 | -174.3 | -177.2 | -161.7 | -3.6 | 110.6 | R369 K370 G375 | R369-R372 WeakPolarHBondContact O-CB 3.35Å; R369-R372 PolarHBondContact O-N 3.41Å; K370-R372 PolarHBondContact O-N 2.86Å; R372-G375 WeakPolarHBondContact O-CA 3.48Å; R372-G375 PolarHBondContact O-N 3.05Å; R372-G375 VanDerWaalsContact O-N 3.08Å |
| 373 | R | 92.8 | Very high | 88.7 | Confident | 54 Ų | 54 | 47 Ų | 47 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 138.8 | 169 | -64.6 | 179.4 | -176.7 | -88.8 | -4.6 | 110.3 | A323 R324 E327 F328 G375 E479 | A323-R373 PolarHBondContact O-NH1 2.86Å; A323-R373 PolarHBondContact O-NH2 2.91Å; R324-R373 PolarHBondContact O-NH1 3.26Å; E327-R373 HydrophobicContact CB-CB 4.09Å; E327-R373 HydrophobicContact CB-CG 4.05Å; E327-R373 CarbonylContact O-C 3.59Å; E327-R373 WeakPolarHBondContact OE2-CD 3.42Å; E327-R373 IonicContact OE2-CZ 3.67Å; E327-R373 IonicContact OE2-NE 2.65Å; E327-R373 IonicContact OE2-NH1 3.97Å; E327-R373 PolarHBondContact OE2-NH1 2.9Å; F328-R373 HydrophobicContact CD2-CG 4.06Å; F328-R373 HydrophobicContact CE1-CG 4.46Å; F328-R373 HydrophobicContact CE2-CG 3.69Å; F328-R373 HydrophobicContact CZ-CG 3.91Å; R373-G375 PolarHBondContact O-N 2.86Å; R373-E479 WeakPolarHBondContact CD-OE1 3.47Å; R373-E479 IonicContact CZ-OE1 3.63Å; R373-E479 IonicContact CZ-OE2 3.64Å; R373-E479 VanDerWaalsContact CZ-OE2 3.32Å; R373-E479 VanDerWaalsContact NE-CD 3.34Å; R373-E479 IonicContact NE-OE1 3.8Å; R373-E479 PolarHBondContact NE-OE1 3.18Å; R373-E479 IonicContact NE-OE2 3.59Å; R373-E479 PolarHBondContact NE-OE2 2.79Å; R373-E479 IonicContact NH2-OE1 3.38Å; R373-E479 IonicContact NH2-OE2 2.73Å; R373-E479 PolarHBondContact NH2-OE2 3.34Å |
| 374 | F | 94.1 | Very high | 88.4 | Confident | 77 Ų | 77 | 46 Ų | 46 | 34% | 0.338 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 26.3 | -174.5 | -48.6 | -81.3 | 0 | 0 | 0 | 113.6 | E327 I330 D332 | E327-F374 HydrophobicContact CB-CE1 4.39Å; E327-F374 HydrophobicContact CB-CE2 4.25Å; E327-F374 HydrophobicContact CB-CZ 4.09Å; E327-F374 VanDerWaalsContact CD-CZ 3.47Å; E327-F374 HydrophobicContact CG-CE1 3.99Å; E327-F374 HydrophobicContact CG-CE2 4.13Å; E327-F374 HydrophobicContact CG-CZ 3.58Å; E327-F374 WeakPolarHBondContact O-CA 3.4Å; E327-F374 PolarHBondContact O-N 2.87Å; I330-F374 HydrophobicContact CD1-CD1 3.72Å; I330-F374 HydrophobicContact CD1-CE1 3.58Å; I330-F374 HydrophobicContact CG1-CD1 3.89Å; I330-F374 HydrophobicContact CG1-CE1 4.22Å; I330-F374 CarbonylContact O-C 3.45Å; I330-F374 WeakPolarHBondContact O-CA 3.34Å; D332-F374 HydrophobicContact CB-CB 3.85Å; D332-F374 PolarHBondContact N-O 2.59Å; D332-F374 VanDerWaalsContact N-O 3.15Å |
| 375 | G | 91.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -87.5 | -6.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | I330 R369 R372 R373 | I330-G375 PolarHBondContact O-N 2.81Å; R369-G375 VanDerWaalsContact O-CA 3.27Å; R369-G375 WeakPolarHBondContact O-CA 3.46Å; R372-G375 WeakPolarHBondContact O-CA 3.48Å; R372-G375 PolarHBondContact O-N 3.05Å; R372-G375 VanDerWaalsContact O-N 3.08Å; R373-G375 PolarHBondContact O-N 2.86Å |
| 376 | A | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -69 | 152.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F329 I330 A331 L363 K364 I365 | F329-A376 WeakPolarHBondContact O-CB 3.41Å; I330-A376 VanDerWaalsContact C-CB 3.43Å; I330-A376 WeakPolarHBondContact O-CB 3.16Å; I330-A376 PolarHBondContact O-N 2.75Å; I330-A376 VanDerWaalsContact O-N 3.1Å; A331-A376 WeakPolarHBondContact CA-O 3.41Å; A331-A376 HydrophobicContact CB-CB 4.45Å; A331-A376 VanDerWaalsContact CB-O 3.27Å; A331-A376 WeakPolarHBondContact CB-O 3.47Å; L363-A376 HydrophobicContact CB-CB 4.31Å; L363-A376 HydrophobicContact CD2-CB 4.33Å; K364-A376 WeakPolarHBondContact O-CA 3.48Å; I365-A376 HydrophobicContact CD1-CB 3.88Å | ||
| 377 | T | 93 | Very high | 88.3 | Confident | 22 Ų | 22 | 44.1 Ų | 44.1 | 14% | 0.135 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -137 | -177.5 | 175.1 | -167.3 | 0 | 0 | 0 | 0 | 109.7 | L363 K364 D366 | L363-T377 WeakPolarHBondContact CA-O 3.31Å; K364-T377 PolarHBondContact N-O 3.01Å; K364-T377 PolarHBondContact O-N 2.82Å; D366-T377 HydrophobicContact CB-CG2 4.47Å |
| 378 | V | 92.2 | Very high | 88.2 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | trans | -126.6 | 160 | 173.5 | -61.9 | 0 | 0 | 0 | 0 | 110.2 | V336 L361 L363 F380 A383 L409 L413 L416 | V336-V378 HydrophobicContact CG1-CG2 4.44Å; L361-V378 HydrophobicContact CD1-CB 3.73Å; L361-V378 HydrophobicContact CD1-CG1 4.29Å; L361-V378 HydrophobicContact CD1-CG2 4.14Å; L361-V378 HydrophobicContact CG-CB 4.21Å; L361-V378 HydrophobicContact CG-CG1 4.23Å; L363-V378 HydrophobicContact CD2-CG1 3.97Å; V378-F380 HydrophobicContact CG2-CD1 4.1Å; V378-F380 HydrophobicContact CG2-CE1 4.21Å; V378-F380 WeakPolarHBondContact O-CD1 3.47Å; V378-F380 PolarHBondContact O-N 2.63Å; V378-A383 HydrophobicContact CG2-CB 4.22Å; V378-L409 HydrophobicContact CG2-CD1 4.21Å; V378-L409 HydrophobicContact CG2-CD2 4.44Å; V378-L413 HydrophobicContact CG1-CD2 3.72Å; V378-L413 HydrophobicContact CG2-CD2 4.49Å; V378-L416 HydrophobicContact CG1-CD1 4.23Å | ||
| 379 | D | 90 | Very high | 87.7 | Confident | 56 Ų | 56 | 40.5 Ų | 40.5 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | trans | -70.1 | 112.3 | 170.9 | -169.4 | -44.2 | 0 | 0 | 0 | 109.6 | S381 I382 A383 | D379-S381 PolarHBondContact O-N 2.91Å; D379-S381 WeakPolarHBondContact OD1-CA 3.27Å; D379-S381 WeakPolarHBondContact OD1-CB 3.2Å; D379-S381 PolarHBondContact OD1-N 3.48Å; D379-S381 PolarHBondContact OD1-OG 2.72Å; D379-I382 HydrophobicContact CB-CB 4.17Å; D379-I382 HydrophobicContact CB-CD1 3.81Å; D379-I382 HydrophobicContact CB-CG1 3.98Å; D379-I382 PolarHBondContact O-N 2.79Å; D379-I382 PolarHBondContact OD1-N 2.59Å; D379-A383 WeakPolarHBondContact O-CB 3.45Å; D379-A383 PolarHBondContact O-N 3.24Å | ||
| 380 | F | 90.6 | Very high | 86.4 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 16% | 0.158 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -22.4 | -178.2 | -66.1 | -18.7 | 0 | 0 | 0 | 113.4 | V336 E339 F340 W343 V378 C384 | V336-F380 HydrophobicContact CG1-CE1 4.05Å; E339-F380 HydrophobicContact CB-CE2 4.21Å; E339-F380 HydrophobicContact CB-CZ 3.84Å; F340-F380 HydrophobicContact CB-CD1 4.43Å; F340-F380 HydrophobicContact CB-CE1 4.2Å; F340-F380 HydrophobicContact CD2-CB 4.22Å; F340-F380 AromaticContact CD2-CD1 3.94Å; F340-F380 HydrophobicContact CD2-CD1 3.94Å; F340-F380 HydrophobicContact CD2-CG 4.1Å; W343-F380 HydrophobicContact CB-CD2 3.94Å; W343-F380 HydrophobicContact CB-CE2 4.29Å; W343-F380 AromaticContact CD1-CD2 3.49Å; W343-F380 VanDerWaalsContact CD1-CD2 3.49Å; W343-F380 HydrophobicContact CD2-CB 3.86Å; W343-F380 HydrophobicContact CD2-CD2 4.23Å; W343-F380 HydrophobicContact CD2-CG 4.43Å; W343-F380 HydrophobicContact CE3-CB 4.28Å; W343-F380 HydrophobicContact CG-CB 4.18Å; W343-F380 AromaticContact CG-CD2 3.63Å; W343-F380 HydrophobicContact CG-CD2 3.63Å; W343-F380 HydrophobicContact CG-CE2 4.4Å; W343-F380 HydrophobicContact CG-CG 4.26Å; W343-F380 HydrophobicContact CZ2-CB 4.24Å; V378-F380 HydrophobicContact CG2-CD1 4.1Å; V378-F380 HydrophobicContact CG2-CE1 4.21Å; V378-F380 WeakPolarHBondContact O-CD1 3.47Å; V378-F380 PolarHBondContact O-N 2.63Å; F380-C384 WeakPolarHBondContact O-CB 3.47Å; F380-C384 PolarHBondContact O-N 3.26Å |
| 381 | S | 86.4 | Confident | 84.7 | Confident | 40 Ų | 40 | 47.8 Ų | 47.8 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.2 | -46.3 | 175 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | D379 C384 H385 | D379-S381 PolarHBondContact O-N 2.91Å; D379-S381 WeakPolarHBondContact OD1-CA 3.27Å; D379-S381 WeakPolarHBondContact OD1-CB 3.2Å; D379-S381 PolarHBondContact OD1-N 3.48Å; D379-S381 PolarHBondContact OD1-OG 2.72Å; S381-C384 PolarHBondContact O-N 3.17Å; S381-H385 PolarHBondContact O-N 2.75Å; S381-H385 VanDerWaalsContact O-N 3.12Å |
| 382 | I | 86.9 | Confident | 83.3 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 5% | 0.046 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | 175.3 | -58.2 | 173.2 | 0 | 0 | 0 | 109.6 | D358 L361 D379 C384 H385 E386 | D358-I382 HydrophobicContact CB-CD1 4.18Å; D358-I382 VanDerWaalsContact O-CD1 3.25Å; D358-I382 WeakPolarHBondContact O-CD1 3.39Å; L361-I382 HydrophobicContact CB-CG2 4.15Å; L361-I382 HydrophobicContact CD1-CB 4.04Å; L361-I382 HydrophobicContact CD1-CG2 3.94Å; D379-I382 HydrophobicContact CB-CB 4.17Å; D379-I382 HydrophobicContact CB-CD1 3.81Å; D379-I382 HydrophobicContact CB-CG1 3.98Å; D379-I382 PolarHBondContact O-N 2.79Å; D379-I382 PolarHBondContact OD1-N 2.59Å; I382-C384 VanDerWaalsContact C-N 3.35Å; I382-C384 PolarHBondContact O-N 3.18Å; I382-H385 PolarHBondContact O-N 3.29Å; I382-E386 WeakPolarHBondContact O-CB 3.22Å; I382-E386 PolarHBondContact O-N 3.17Å |
| 383 | A | 89 | Confident | 81.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F340 L361 V378 D379 H385 E386 I387 L409 | F340-A383 HydrophobicContact CD2-CB 4.43Å; F340-A383 HydrophobicContact CE2-CB 3.87Å; F340-A383 HydrophobicContact CZ-CB 4.13Å; L361-A383 HydrophobicContact CD1-CB 3.82Å; L361-A383 HydrophobicContact CD2-CB 4.16Å; V378-A383 HydrophobicContact CG2-CB 4.22Å; D379-A383 WeakPolarHBondContact O-CB 3.45Å; D379-A383 PolarHBondContact O-N 3.24Å; A383-H385 VanDerWaalsContact C-N 3.35Å; A383-H385 PolarHBondContact O-N 3.5Å; A383-E386 PolarHBondContact O-N 3.03Å; A383-I387 HydrophobicContact CB-CD1 4.44Å; A383-I387 WeakPolarHBondContact O-CB 3.32Å; A383-I387 VanDerWaalsContact O-CG1 3.32Å; A383-I387 WeakPolarHBondContact O-CG1 3.47Å; A383-I387 PolarHBondContact O-N 3.04Å; A383-L409 HydrophobicContact CB-CD1 4.3Å |
| 384 | C | 86.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -45.8 | 176.3 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | F340 W343 F350 F380 S381 I382 V388 | F340-C384 HydrophobicContact CE2-CB 4.29Å; F340-C384 HydrophobicContact CZ-CB 4.48Å; W343-C384 HydrophobicContact CH2-CB 4.1Å; W343-C384 HydrophobicContact CZ3-CB 3.77Å; F350-C384 WeakPolarHBondContact CE1-SG 3.5Å; F380-C384 WeakPolarHBondContact O-CB 3.47Å; F380-C384 PolarHBondContact O-N 3.26Å; S381-C384 PolarHBondContact O-N 3.17Å; I382-C384 VanDerWaalsContact C-N 3.35Å; I382-C384 PolarHBondContact O-N 3.18Å; C384-V388 WeakPolarHBondContact O-CA 3.48Å; C384-V388 VanDerWaalsContact O-CB 3.27Å; C384-V388 WeakPolarHBondContact O-CB 3.4Å; C384-V388 PolarHBondContact O-N 3.35Å |
| 385 | H | 83 | Confident | 79.4 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 177.8 | -175.2 | -84.6 | 0 | 0 | 0 | 113.1 | I354 S381 I382 A383 G389 K390 | I354-H385 HydrophobicContact CD1-CB 3.39Å; I354-H385 VanDerWaalsContact CD1-CG 3.44Å; S381-H385 PolarHBondContact O-N 2.75Å; S381-H385 VanDerWaalsContact O-N 3.12Å; I382-H385 PolarHBondContact O-N 3.29Å; A383-H385 VanDerWaalsContact C-N 3.35Å; A383-H385 PolarHBondContact O-N 3.5Å; H385-G389 PolarHBondContact O-N 3.28Å; H385-K390 WeakPolarHBondContact NE2-CE 3.27Å |
| 386 | E | 85 | Confident | 78.9 | Confident | 80 Ų | 80 | 59.4 Ų | 59.4 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 178.9 | -174.4 | 173.5 | 136.8 | 0 | 0 | 112.5 | L361 I382 A383 R412 | L361-E386 WeakPolarHBondContact CB-OE2 3.15Å; L361-E386 PolarHBondContact N-OE2 3.07Å; I382-E386 WeakPolarHBondContact O-CB 3.22Å; I382-E386 PolarHBondContact O-N 3.17Å; A383-E386 PolarHBondContact O-N 3.03Å; E386-R412 IonicContact OE1-CZ 2.59Å; E386-R412 IonicContact OE1-NE 3.79Å; E386-R412 PolarHBondContact OE1-NE 2.83Å; E386-R412 IonicContact OE1-NH2 3.87Å |
| 387 | I | 86.7 | Confident | 78.4 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 11% | 0.113 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -98.4 | -39.7 | -167.5 | -64.9 | 172.3 | 0 | 0 | 0 | 113.6 | F340 A383 A405 K408 L409 | F340-I387 HydrophobicContact CE1-CD1 4.29Å; A383-I387 HydrophobicContact CB-CD1 4.44Å; A383-I387 WeakPolarHBondContact O-CB 3.32Å; A383-I387 VanDerWaalsContact O-CG1 3.32Å; A383-I387 WeakPolarHBondContact O-CG1 3.47Å; A383-I387 PolarHBondContact O-N 3.04Å; I387-A405 HydrophobicContact CG2-CB 4.34Å; I387-K408 HydrophobicContact CG2-CB 3.52Å; I387-K408 HydrophobicContact CG2-CD 3.82Å; I387-K408 HydrophobicContact CG2-CG 4.35Å; I387-L409 VanDerWaalsContact CD1-CA 3.46Å; I387-L409 HydrophobicContact CD1-CB 3.47Å; I387-L409 VanDerWaalsContact CD1-CB 3.47Å; I387-L409 HydrophobicContact CD1-CD1 3.5Å; I387-L409 HydrophobicContact CD1-CG 4.03Å |
| 388 | V | 80.5 | Confident | 78.1 | Confident | 32 Ų | 32 | 61.3 Ų | 61.3 | 19% | 0.194 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -30.8 | -177.4 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | L344 F350 C384 L397 A405 | L344-V388 HydrophobicContact CD2-CG2 4.13Å; F350-V388 HydrophobicContact CZ-CB 4.11Å; F350-V388 HydrophobicContact CZ-CG1 3.86Å; C384-V388 WeakPolarHBondContact O-CA 3.48Å; C384-V388 VanDerWaalsContact O-CB 3.27Å; C384-V388 WeakPolarHBondContact O-CB 3.4Å; C384-V388 PolarHBondContact O-N 3.35Å; V388-L397 HydrophobicContact CG1-CD1 4.4Å; V388-L397 HydrophobicContact CG2-CD1 4.34Å; V388-A405 HydrophobicContact CG2-CB 4.16Å |
| 389 | G | 71.6 | Confident | 77.8 | Confident | 28 Ų | 28 | 66 Ų | 66 | 29% | 0.289 | 34% | 0.342 | S | S | . | . | trans | 74.6 | 162.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | F350 H385 N391 | F350-G389 VanDerWaalsContact CZ-O 3.29Å; F350-G389 WeakPolarHBondContact CZ-O 3.38Å; H385-G389 PolarHBondContact O-N 3.28Å; G389-N391 PolarHBondContact O-N 3.37Å | ||
| 390 | K | 60.8 | Low | 77.7 | Confident | 161 Ų | 161 | 67.3 Ų | 67.3 | 70% | 0.7 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -72.6 | -21.4 | -177.5 | -86.6 | -175.3 | 174.9 | 177.2 | 0 | 114.7 | H385 | H385-K390 WeakPolarHBondContact NE2-CE 3.27Š|
| 391 | N | 51.7 | Low | 77.5 | Confident | 146 Ų | 146 | 69 Ų | 69 | 78% | 0.781 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -128.5 | 103.7 | -169.6 | -72.5 | -10.6 | 0 | 0 | 0 | 110.4 | G389 | G389-N391 PolarHBondContact O-N 3.37Š|
| 392 | E | 53.4 | Low | 77.6 | Confident | 190 Ų | 190 | 67.1 Ų | 67.1 | 89% | 0.888 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 162.8 | -15.3 | 135.4 | -88.9 | 178.2 | -177.5 | 0 | 0 | 113.9 | ||
| 393 | N | 54.7 | Low | 77.8 | Confident | 64 Ų | 64 | 72.1 Ų | 72.1 | 34% | 0.342 | 37% | 0.374 | S | S | . | . | trans | -122.8 | 126.4 | -179.2 | -63.2 | -6.3 | 0 | 0 | 0 | 113.2 | L397 E401 | N393-L397 HydrophobicContact CB-CD2 3.31Å; N393-E401 PolarHBondContact ND2-OE1 3.06Å | ||
| 394 | E | 68.1 | Low | 77.8 | Confident | 182 Ų | 182 | 74.7 Ų | 74.7 | 85% | 0.85 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 131.6 | 165.7 | -70.1 | -176.9 | 166.2 | 0 | 0 | 109.4 | P396 | E394-P396 CarbonylContact O-C 3.56Š|
| 395 | L | 72.5 | Confident | 78 | Confident | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.089 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -78.9 | 140.7 | 166 | -81.1 | 171.4 | 0 | 0 | 0 | 108.8 | L344 H347 F350 L397 | L344-L395 HydrophobicContact CB-CD2 4.48Å; L344-L395 HydrophobicContact CD2-CD2 3.87Å; L344-L395 WeakPolarHBondContact O-CD2 3.36Å; H347-L395 WeakPolarHBondContact O-CB 3.19Å; F350-L395 HydrophobicContact CD2-CD1 3.65Å; F350-L395 HydrophobicContact CD2-CG 4.06Å; F350-L395 HydrophobicContact CE2-CD1 3.95Å; F350-L395 HydrophobicContact CE2-CG 4.03Å; F350-L395 HydrophobicContact CG-CD1 4.11Å; L395-L397 HydrophobicContact CD2-CG 4.02Å |
| 396 | P | 81.2 | Confident | 78.4 | Confident | 76 Ų | 76 | 71.2 Ų | 71.2 | 49% | 0.494 | 38% | 0.38 | S | S | . | . | S | Bend | cis | -76.4 | 143 | 2.3 | 31 | -34.4 | 0 | 0 | 0 | 112.6 | L344 R345 E394 | L344-P396 WeakPolarHBondContact O-CA 3.44Å; R345-P396 VanDerWaalsContact O-CB 3.27Å; R345-P396 WeakPolarHBondContact O-CB 3.27Å; E394-P396 CarbonylContact O-C 3.56Å |
| 397 | L | 83.4 | Confident | 78.8 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 148.4 | 175.8 | -67.1 | -175.2 | 0 | 0 | 0 | 111.3 | L344 V388 N393 L395 E401 A402 A405 | L344-L397 HydrophobicContact CB-CD1 4.37Å; L344-L397 HydrophobicContact CD1-CD1 4.09Å; L344-L397 HydrophobicContact CD2-CD1 4.23Å; L344-L397 HydrophobicContact CG-CD1 4.48Å; L344-L397 PolarHBondContact O-N 3.42Å; V388-L397 HydrophobicContact CG1-CD1 4.4Å; V388-L397 HydrophobicContact CG2-CD1 4.34Å; N393-L397 HydrophobicContact CB-CD2 3.31Å; L395-L397 HydrophobicContact CD2-CG 4.02Å; L397-E401 HydrophobicContact CB-CB 3.94Å; L397-E401 HydrophobicContact CD1-CB 4.29Å; L397-E401 HydrophobicContact CD2-CB 4.34Å; L397-E401 HydrophobicContact CG-CB 4.41Å; L397-A402 HydrophobicContact CB-CB 4.03Å; L397-A405 HydrophobicContact CD1-CB 4.23Å |
| 398 | S | 85.1 | Confident | 79.1 | Confident | 53 Ų | 53 | 76.6 Ų | 76.6 | 37% | 0.371 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 160.1 | 168.5 | 67.2 | 0 | 0 | 0 | 0 | 110.9 | S400 E401 A402 | S398-S400 VanDerWaalsContact C-N 3.3Å; S398-S400 PolarHBondContact O-N 3.43Å; S398-S400 PolarHBondContact OG-OG 3.17Å; S398-E401 VanDerWaalsContact CB-OE2 3.3Å; S398-E401 WeakPolarHBondContact CB-OE2 3.49Å; S398-E401 PolarHBondContact N-OE2 2.91Å; S398-E401 PolarHBondContact O-N 2.67Å; S398-E401 VanDerWaalsContact O-N 3.09Å; S398-E401 WeakPolarHBondContact OG-CB 3.49Å; S398-E401 WeakPolarHBondContact OG-CG 3.39Å; S398-E401 PolarHBondContact OG-N 3.03Å; S398-E401 PolarHBondContact OG-OE2 3.09Å; S398-A402 WeakPolarHBondContact O-CB 3.29Å; S398-A402 PolarHBondContact O-N 3.22Å |
| 399 | E | 86.9 | Confident | 79.8 | Confident | 106 Ų | 106 | 75.1 Ų | 75.1 | 50% | 0.495 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -54.4 | -45.4 | -178 | -176 | 154.5 | -122.4 | 0 | 0 | 112.3 | R345 E401 A402 E403 | R345-E399 IonicContact CZ-OE1 3.89Å; R345-E399 VanDerWaalsContact CZ-OE1 3.31Å; R345-E399 IonicContact NH1-OE1 3.41Å; R345-E399 PolarHBondContact NH1-OE1 2.96Å; R345-E399 IonicContact NH2-OE1 3.71Å; R345-E399 PolarHBondContact NH2-OE1 2.88Å; R345-E399 VanDerWaalsContact NH2-OE1 3.09Å; E399-E401 PolarHBondContact O-N 3.07Å; E399-A402 PolarHBondContact O-N 3.1Å; E399-E403 WeakPolarHBondContact O-CB 3.35Å; E399-E403 VanDerWaalsContact O-CG 3.3Å; E399-E403 WeakPolarHBondContact O-CG 3.48Å; E399-E403 PolarHBondContact O-N 3.31Å |
| 400 | S | 87.1 | Confident | 80.9 | Confident | 83 Ų | 83 | 77.3 Ų | 77.3 | 58% | 0.58 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.8 | -37.3 | 177 | 48.9 | 0 | 0 | 0 | 0 | 113.7 | S398 A404 | S398-S400 VanDerWaalsContact C-N 3.3Å; S398-S400 PolarHBondContact O-N 3.43Å; S398-S400 PolarHBondContact OG-OG 3.17Å; S400-A404 WeakPolarHBondContact O-CB 3.47Å; S400-A404 PolarHBondContact O-N 2.62Å |
| 401 | E | 86.5 | Confident | 82.4 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 33% | 0.332 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74 | -40.1 | 179.3 | -71.4 | 166.6 | 142.6 | 0 | 0 | 111.7 | N393 L397 S398 E399 E403 A404 A405 | N393-E401 PolarHBondContact ND2-OE1 3.06Å; L397-E401 HydrophobicContact CB-CB 3.94Å; L397-E401 HydrophobicContact CD1-CB 4.29Å; L397-E401 HydrophobicContact CD2-CB 4.34Å; L397-E401 HydrophobicContact CG-CB 4.41Å; S398-E401 VanDerWaalsContact CB-OE2 3.3Å; S398-E401 WeakPolarHBondContact CB-OE2 3.49Å; S398-E401 PolarHBondContact N-OE2 2.91Å; S398-E401 PolarHBondContact O-N 2.67Å; S398-E401 VanDerWaalsContact O-N 3.09Å; S398-E401 WeakPolarHBondContact OG-CB 3.49Å; S398-E401 WeakPolarHBondContact OG-CG 3.39Å; S398-E401 PolarHBondContact OG-N 3.03Å; S398-E401 PolarHBondContact OG-OE2 3.09Å; E399-E401 PolarHBondContact O-N 3.07Å; E401-E403 VanDerWaalsContact C-N 3.32Å; E401-A404 PolarHBondContact O-N 3.31Å; E401-A405 WeakPolarHBondContact O-CB 3.16Å; E401-A405 PolarHBondContact O-N 3.2Å |
| 402 | A | 88.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T341 L344 R345 L397 S398 E399 G406 | T341-A402 HydrophobicContact CG2-CB 3.91Å; T341-A402 PolarHBondContact OG1-O 3.36Å; T341-A402 VanDerWaalsContact OG1-O 3.06Å; L344-A402 HydrophobicContact CB-CB 4.33Å; R345-A402 HydrophobicContact CG-CB 3.74Å; L397-A402 HydrophobicContact CB-CB 4.03Å; S398-A402 WeakPolarHBondContact O-CB 3.29Å; S398-A402 PolarHBondContact O-N 3.22Å; E399-A402 PolarHBondContact O-N 3.1Å; A402-G406 PolarHBondContact O-N 3.48Å |
| 403 | E | 91.3 | Very high | 86.5 | Confident | 115 Ų | 115 | 61.3 Ų | 61.3 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.8 | -44.4 | 171.5 | -77.7 | -179.4 | -178.7 | 0 | 0 | 111.6 | T341 E399 E401 A405 G406 E407 | T341-E403 HydrophobicContact CG2-CG 4.47Å; E399-E403 WeakPolarHBondContact O-CB 3.35Å; E399-E403 VanDerWaalsContact O-CG 3.3Å; E399-E403 WeakPolarHBondContact O-CG 3.48Å; E399-E403 PolarHBondContact O-N 3.31Å; E401-E403 VanDerWaalsContact C-N 3.32Å; E403-A405 PolarHBondContact O-N 3.33Å; E403-G406 WeakPolarHBondContact O-CA 3.35Å; E403-G406 PolarHBondContact O-N 2.93Å; E403-E407 PolarHBondContact O-N 3.43Å |
| 404 | A | 89.7 | Confident | 88.4 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 45% | 0.446 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S400 E401 E407 K408 | S400-A404 WeakPolarHBondContact O-CB 3.47Å; S400-A404 PolarHBondContact O-N 2.62Å; E401-A404 PolarHBondContact O-N 3.31Å; A404-E407 PolarHBondContact O-N 2.93Å; A404-K408 WeakPolarHBondContact O-CG 3.44Å; A404-K408 PolarHBondContact O-N 2.85Å; A404-K408 VanDerWaalsContact O-N 3.09Å |
| 405 | A | 89.7 | Confident | 89.7 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.6 | -36.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F340 L344 I387 V388 L397 E401 E403 K408 L409 | F340-A405 HydrophobicContact CE1-CB 4.39Å; L344-A405 HydrophobicContact CD1-CB 3.6Å; I387-A405 HydrophobicContact CG2-CB 4.34Å; V388-A405 HydrophobicContact CG2-CB 4.16Å; L397-A405 HydrophobicContact CD1-CB 4.23Å; E401-A405 WeakPolarHBondContact O-CB 3.16Å; E401-A405 PolarHBondContact O-N 3.2Å; E403-A405 PolarHBondContact O-N 3.33Å; A405-K408 PolarHBondContact O-N 3.31Å; A405-L409 PolarHBondContact O-N 3.09Å |
| 406 | G | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.6 | -51.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S337 T341 A402 E403 K408 L409 R410 | S337-G406 VanDerWaalsContact OG-C 3.31Å; S337-G406 PolarHBondContact OG-O 3.47Å; T341-G406 WeakPolarHBondContact OG1-CA 3.48Å; A402-G406 PolarHBondContact O-N 3.48Å; E403-G406 WeakPolarHBondContact O-CA 3.35Å; E403-G406 PolarHBondContact O-N 2.93Å; G406-K408 VanDerWaalsContact C-N 3.32Å; G406-K408 PolarHBondContact O-N 3.17Å; G406-L409 CarbonylContact O-C 3.39Å; G406-L409 WeakPolarHBondContact O-CA 3.37Å; G406-L409 WeakPolarHBondContact O-CB 3.35Å; G406-L409 PolarHBondContact O-N 3.08Å; G406-R410 PolarHBondContact O-N 3.22Å |
| 407 | E | 93.2 | Very high | 91.5 | Very high | 88 Ų | 88 | 53 Ų | 53 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.4 | -36.1 | -180 | -172.7 | 58.8 | -159 | 0 | 0 | 112.6 | E403 A404 R410 V411 | E403-E407 PolarHBondContact O-N 3.43Å; A404-E407 PolarHBondContact O-N 2.93Å; E407-R410 VanDerWaalsContact O-CB 3.23Å; E407-R410 WeakPolarHBondContact O-CB 3.28Å; E407-R410 PolarHBondContact O-N 2.77Å; E407-R410 IonicContact OE1-CZ 3.75Å; E407-R410 IonicContact OE1-NE 3.62Å; E407-R410 PolarHBondContact OE1-NE 2.82Å; E407-R410 IonicContact OE1-NH2 3.74Å; E407-R410 PolarHBondContact OE1-NH2 3.09Å; E407-R410 VanDerWaalsContact OE2-CD 3.29Å; E407-R410 WeakPolarHBondContact OE2-CD 3.26Å; E407-R410 IonicContact OE2-CZ 3.11Å; E407-R410 IonicContact OE2-NE 3.98Å; E407-R410 PolarHBondContact OE2-NE 3.12Å; E407-V411 WeakPolarHBondContact O-CG2 3.39Å; E407-V411 PolarHBondContact O-N 2.78Å |
| 408 | K | 92.7 | Very high | 92.1 | Very high | 127 Ų | 127 | 59.8 Ų | 59.8 | 55% | 0.552 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.2 | -44.4 | 171.7 | -72.4 | 176.7 | -179 | 179.5 | 0 | 111.8 | I387 A404 A405 G406 R410 V411 R412 | I387-K408 HydrophobicContact CG2-CB 3.52Å; I387-K408 HydrophobicContact CG2-CD 3.82Å; I387-K408 HydrophobicContact CG2-CG 4.35Å; A404-K408 WeakPolarHBondContact O-CG 3.44Å; A404-K408 PolarHBondContact O-N 2.85Å; A404-K408 VanDerWaalsContact O-N 3.09Å; A405-K408 PolarHBondContact O-N 3.31Å; G406-K408 VanDerWaalsContact C-N 3.32Å; G406-K408 PolarHBondContact O-N 3.17Å; K408-R410 VanDerWaalsContact C-N 3.27Å; K408-R410 PolarHBondContact O-N 3.12Å; K408-V411 PolarHBondContact O-N 3.22Å; K408-R412 PolarHBondContact O-N 2.95Å; K408-R412 VanDerWaalsContact O-N 3.08Å |
| 409 | L | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 173.9 | -178.9 | 60.2 | 0 | 0 | 0 | 110.6 | F340 L361 V378 A383 I387 A405 G406 V411 R412 L413 | F340-L409 HydrophobicContact CB-CD2 3.37Å; F340-L409 HydrophobicContact CD1-CB 3.78Å; F340-L409 HydrophobicContact CD1-CD2 3.38Å; F340-L409 HydrophobicContact CD1-CG 4.19Å; F340-L409 HydrophobicContact CD2-CD2 4.09Å; F340-L409 HydrophobicContact CE1-CB 4.03Å; F340-L409 HydrophobicContact CE1-CD2 4.1Å; F340-L409 HydrophobicContact CG-CD2 3.35Å; L361-L409 HydrophobicContact CD2-CD1 4.03Å; V378-L409 HydrophobicContact CG2-CD1 4.21Å; V378-L409 HydrophobicContact CG2-CD2 4.44Å; A383-L409 HydrophobicContact CB-CD1 4.3Å; I387-L409 VanDerWaalsContact CD1-CA 3.46Å; I387-L409 HydrophobicContact CD1-CB 3.47Å; I387-L409 VanDerWaalsContact CD1-CB 3.47Å; I387-L409 HydrophobicContact CD1-CD1 3.5Å; I387-L409 HydrophobicContact CD1-CG 4.03Å; A405-L409 PolarHBondContact O-N 3.09Å; G406-L409 CarbonylContact O-C 3.39Å; G406-L409 WeakPolarHBondContact O-CA 3.37Å; G406-L409 WeakPolarHBondContact O-CB 3.35Å; G406-L409 PolarHBondContact O-N 3.08Å; L409-V411 PolarHBondContact O-N 3.25Å; L409-R412 CarbonylContact O-C 3.51Å; L409-R412 WeakPolarHBondContact O-CB 3.46Å; L409-R412 PolarHBondContact O-N 3.43Å; L409-R412 VanDerWaalsContact O-N 3.09Å; L409-L413 HydrophobicContact CD1-CD1 4.29Å; L409-L413 HydrophobicContact CD1-CD2 4.34Å; L409-L413 HydrophobicContact CD1-CG 3.92Å; L409-L413 HydrophobicContact CD2-CD1 4.19Å; L409-L413 HydrophobicContact CG-CD1 3.77Å; L409-L413 HydrophobicContact CG-CG 3.93Å; L409-L413 WeakPolarHBondContact O-CB 3.25Å; L409-L413 VanDerWaalsContact O-CG 3.29Å; L409-L413 WeakPolarHBondContact O-CG 3.38Å; L409-L413 PolarHBondContact O-N 3.26Å |
| 410 | R | 95.5 | Very high | 92.9 | Very high | 74 Ų | 74 | 58 Ų | 58 | 28% | 0.279 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.2 | -50 | 177.1 | -153 | -177 | 74.6 | 87.5 | 6 | 111.6 | V333 G406 E407 K408 R412 L413 I414 | V333-R410 HydrophobicContact CG1-CB 4.27Å; V333-R410 HydrophobicContact CG1-CG 3.17Å; G406-R410 PolarHBondContact O-N 3.22Å; E407-R410 VanDerWaalsContact O-CB 3.23Å; E407-R410 WeakPolarHBondContact O-CB 3.28Å; E407-R410 PolarHBondContact O-N 2.77Å; E407-R410 IonicContact OE1-CZ 3.75Å; E407-R410 IonicContact OE1-NE 3.62Å; E407-R410 PolarHBondContact OE1-NE 2.82Å; E407-R410 IonicContact OE1-NH2 3.74Å; E407-R410 PolarHBondContact OE1-NH2 3.09Å; E407-R410 VanDerWaalsContact OE2-CD 3.29Å; E407-R410 WeakPolarHBondContact OE2-CD 3.26Å; E407-R410 IonicContact OE2-CZ 3.11Å; E407-R410 IonicContact OE2-NE 3.98Å; E407-R410 PolarHBondContact OE2-NE 3.12Å; K408-R410 VanDerWaalsContact C-N 3.27Å; K408-R410 PolarHBondContact O-N 3.12Å; R410-R412 VanDerWaalsContact C-N 3.33Å; R410-R412 PolarHBondContact O-N 3.12Å; R410-L413 PolarHBondContact O-N 2.95Å; R410-I414 WeakPolarHBondContact O-CG1 3.39Å; R410-I414 PolarHBondContact O-N 2.77Å |
| 411 | V | 93.3 | Very high | 93.3 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | E407 K408 L409 I414 S415 | E407-V411 WeakPolarHBondContact O-CG2 3.39Å; E407-V411 PolarHBondContact O-N 2.78Å; K408-V411 PolarHBondContact O-N 3.22Å; L409-V411 PolarHBondContact O-N 3.25Å; V411-I414 PolarHBondContact O-N 2.95Å; V411-S415 PolarHBondContact O-N 2.77Å |
| 412 | R | 94 | Very high | 93.7 | Very high | 73 Ų | 73 | 55.3 Ų | 55.3 | 28% | 0.275 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 178.6 | -173.6 | 57.7 | 172.6 | 130 | 4.3 | 112.6 | L361 E386 K408 L409 R410 I414 S415 L416 | L361-R412 HydrophobicContact CD2-CG 4.01Å; E386-R412 IonicContact OE1-CZ 2.59Å; E386-R412 IonicContact OE1-NE 3.79Å; E386-R412 PolarHBondContact OE1-NE 2.83Å; E386-R412 IonicContact OE1-NH2 3.87Å; K408-R412 PolarHBondContact O-N 2.95Å; K408-R412 VanDerWaalsContact O-N 3.08Å; L409-R412 CarbonylContact O-C 3.51Å; L409-R412 WeakPolarHBondContact O-CB 3.46Å; L409-R412 PolarHBondContact O-N 3.43Å; L409-R412 VanDerWaalsContact O-N 3.09Å; R410-R412 VanDerWaalsContact C-N 3.33Å; R410-R412 PolarHBondContact O-N 3.12Å; R412-I414 VanDerWaalsContact C-N 3.32Å; R412-I414 PolarHBondContact O-N 3.29Å; R412-S415 WeakPolarHBondContact O-CB 3.03Å; R412-S415 PolarHBondContact O-N 3.03Å; R412-L416 HydrophobicContact CG-CD1 4.28Å; R412-L416 WeakPolarHBondContact O-CG 3.11Å; R412-L416 PolarHBondContact O-N 2.79Å |
| 413 | L | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -37.4 | 175.9 | -72.7 | 170.6 | 0 | 0 | 0 | 111.7 | A331 V333 V336 L363 V378 L409 R410 S415 L416 N417 | A331-L413 HydrophobicContact CB-CD2 4.13Å; V333-L413 HydrophobicContact CG2-CB 4.23Å; V336-L413 HydrophobicContact CB-CD1 3.86Å; V336-L413 HydrophobicContact CG1-CD1 3.76Å; V336-L413 HydrophobicContact CG1-CD2 4.31Å; L363-L413 HydrophobicContact CD2-CD2 4.15Å; V378-L413 HydrophobicContact CG1-CD2 3.72Å; V378-L413 HydrophobicContact CG2-CD2 4.49Å; L409-L413 HydrophobicContact CD1-CD1 4.29Å; L409-L413 HydrophobicContact CD1-CD2 4.34Å; L409-L413 HydrophobicContact CD1-CG 3.92Å; L409-L413 HydrophobicContact CD2-CD1 4.19Å; L409-L413 HydrophobicContact CG-CD1 3.77Å; L409-L413 HydrophobicContact CG-CG 3.93Å; L409-L413 WeakPolarHBondContact O-CB 3.25Å; L409-L413 VanDerWaalsContact O-CG 3.29Å; L409-L413 WeakPolarHBondContact O-CG 3.38Å; L409-L413 PolarHBondContact O-N 3.26Å; R410-L413 PolarHBondContact O-N 2.95Å; L413-S415 VanDerWaalsContact C-N 3.33Å; L413-S415 PolarHBondContact O-N 3.18Å; L413-L416 PolarHBondContact O-N 2.93Å; L413-N417 VanDerWaalsContact O-CB 3.22Å; L413-N417 WeakPolarHBondContact O-CB 3.4Å; L413-N417 PolarHBondContact O-N 2.75Å |
| 414 | I | 95.8 | Very high | 94.2 | Very high | 82 Ų | 82 | 53 Ų | 53 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 173.9 | -68.9 | 165.1 | 0 | 0 | 0 | 110.5 | V333 R410 V411 R412 N417 Y418 | V333-I414 HydrophobicContact CG1-CD1 4.46Å; V333-I414 HydrophobicContact CG1-CG1 4.04Å; V333-I414 HydrophobicContact CG2-CG1 4.12Å; R410-I414 WeakPolarHBondContact O-CG1 3.39Å; R410-I414 PolarHBondContact O-N 2.77Å; V411-I414 PolarHBondContact O-N 2.95Å; R412-I414 VanDerWaalsContact C-N 3.32Å; R412-I414 PolarHBondContact O-N 3.29Å; I414-N417 PolarHBondContact O-N 3.33Å; I414-Y418 PolarHBondContact O-N 2.99Å |
| 415 | S | 94.2 | Very high | 94.4 | Very high | 48 Ų | 48 | 55.9 Ų | 55.9 | 34% | 0.336 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 175.7 | 166.4 | 0 | 0 | 0 | 0 | 112 | V411 R412 L413 N417 Y418 D419 | V411-S415 PolarHBondContact O-N 2.77Å; R412-S415 WeakPolarHBondContact O-CB 3.03Å; R412-S415 PolarHBondContact O-N 3.03Å; L413-S415 VanDerWaalsContact C-N 3.33Å; L413-S415 PolarHBondContact O-N 3.18Å; S415-N417 VanDerWaalsContact C-N 3.31Å; S415-N417 PolarHBondContact O-N 3.25Å; S415-Y418 WeakPolarHBondContact O-CB 3.49Å; S415-Y418 PolarHBondContact O-N 2.95Å; S415-Y418 VanDerWaalsContact O-N 3.15Å; S415-D419 PolarHBondContact O-N 3.06Å |
| 416 | L | 95.4 | Very high | 94.7 | Very high | 17 Ų | 17 | 61.2 Ų | 61.2 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 178.6 | -70.1 | 175.5 | 0 | 0 | 0 | 112.3 | L361 L363 V378 R412 L413 D419 K420 | L361-L416 HydrophobicContact CD2-CD1 4.23Å; L361-L416 HydrophobicContact CG-CD1 4.21Å; L363-L416 HydrophobicContact CD1-CB 4.12Å; L363-L416 HydrophobicContact CD2-CB 4.36Å; L363-L416 HydrophobicContact CG-CB 3.98Å; V378-L416 HydrophobicContact CG1-CD1 4.23Å; R412-L416 HydrophobicContact CG-CD1 4.28Å; R412-L416 WeakPolarHBondContact O-CG 3.11Å; R412-L416 PolarHBondContact O-N 2.79Å; L413-L416 PolarHBondContact O-N 2.93Å; L416-D419 PolarHBondContact O-N 2.65Å; L416-K420 WeakPolarHBondContact O-CB 3.49Å; L416-K420 PolarHBondContact O-N 3.14Å |
| 417 | N | 96.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 62.4 Ų | 62.4 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 174.2 | -78.8 | -7.4 | 0 | 0 | 0 | 110.9 | I330 A331 V333 L363 L413 I414 S415 K420 V421 | I330-N417 WeakPolarHBondContact CA-OD1 3.37Å; I330-N417 HydrophobicContact CB-CB 4.22Å; I330-N417 WeakPolarHBondContact CB-OD1 3.46Å; I330-N417 HydrophobicContact CG2-CB 4.02Å; A331-N417 PolarHBondContact N-OD1 2.97Å; A331-N417 PolarHBondContact O-ND2 3.38Å; V333-N417 VanDerWaalsContact CG2-ND2 3.35Å; V333-N417 WeakPolarHBondContact CG2-ND2 3.23Å; L363-N417 WeakPolarHBondContact CD1-OD1 3.41Å; L413-N417 VanDerWaalsContact O-CB 3.22Å; L413-N417 WeakPolarHBondContact O-CB 3.4Å; L413-N417 PolarHBondContact O-N 2.75Å; I414-N417 PolarHBondContact O-N 3.33Å; S415-N417 VanDerWaalsContact C-N 3.31Å; S415-N417 PolarHBondContact O-N 3.25Å; N417-K420 PolarHBondContact O-N 3.21Å; N417-V421 WeakPolarHBondContact O-CB 3.46Å; N417-V421 WeakPolarHBondContact O-CG2 3.38Å; N417-V421 PolarHBondContact O-N 3.23Å |
| 418 | Y | 95.8 | Very high | 95.1 | Very high | 152 Ų | 152 | 59.1 Ų | 59.1 | 60% | 0.596 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60 | -46.7 | 176.6 | -179.4 | -96.4 | 0 | 0 | 0 | 111.9 | I414 S415 K420 V421 N422 | I414-Y418 PolarHBondContact O-N 2.99Å; S415-Y418 WeakPolarHBondContact O-CB 3.49Å; S415-Y418 PolarHBondContact O-N 2.95Å; S415-Y418 VanDerWaalsContact O-N 3.15Å; Y418-K420 VanDerWaalsContact C-N 3.35Å; Y418-K420 PolarHBondContact O-N 3.41Å; Y418-V421 PolarHBondContact O-N 3.4Å; Y418-N422 WeakPolarHBondContact CD1-ND2 3.33Å; Y418-N422 WeakPolarHBondContact CE1-ND2 3.44Å; Y418-N422 VanDerWaalsContact CZ-ND2 3.34Å; Y418-N422 PolarHBondContact O-N 2.93Å; Y418-N422 VanDerWaalsContact O-N 3.1Å; Y418-N422 PolarHBondContact O-ND2 3.43Å |
| 419 | D | 94 | Very high | 95.3 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 43% | 0.433 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 178 | -65.3 | -21.9 | 0 | 0 | 0 | 111.1 | S415 L416 N422 E423 | S415-D419 PolarHBondContact O-N 3.06Å; L416-D419 PolarHBondContact O-N 2.65Å; D419-N422 PolarHBondContact O-N 3.14Å; D419-E423 PolarHBondContact O-N 2.91Å |
| 420 | K | 94.3 | Very high | 95.4 | Very high | 41 Ų | 41 | 59.3 Ų | 59.3 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.7 | -38 | 178.8 | -171.6 | 59.8 | 66.3 | -168.9 | 0 | 112.7 | F329 I330 L363 L416 N417 Y418 N422 E423 I424 | F329-K420 HydrophobicContact CB-CD 4.17Å; F329-K420 HydrophobicContact CB-CG 3.75Å; I330-K420 HydrophobicContact CG2-CB 4.39Å; I330-K420 HydrophobicContact CG2-CG 4.49Å; L363-K420 HydrophobicContact CD1-CB 3.85Å; L363-K420 HydrophobicContact CD1-CG 4.21Å; L416-K420 WeakPolarHBondContact O-CB 3.49Å; L416-K420 PolarHBondContact O-N 3.14Å; N417-K420 PolarHBondContact O-N 3.21Å; Y418-K420 VanDerWaalsContact C-N 3.35Å; Y418-K420 PolarHBondContact O-N 3.41Å; K420-N422 VanDerWaalsContact C-N 3.3Å; K420-N422 PolarHBondContact O-N 3.32Å; K420-E423 IonicContact NZ-OE1 3.6Å; K420-E423 PolarHBondContact NZ-OE1 3.45Å; K420-E423 IonicContact NZ-OE2 3.55Å; K420-E423 PolarHBondContact NZ-OE2 2.97Å; K420-E423 PolarHBondContact O-N 3.19Å; K420-I424 HydrophobicContact CD-CD1 4.34Å; K420-I424 HydrophobicContact CD-CG1 4.12Å; K420-I424 HydrophobicContact CG-CG1 4.28Å; K420-I424 VanDerWaalsContact O-CG1 3.29Å; K420-I424 WeakPolarHBondContact O-CG1 3.42Å; K420-I424 PolarHBondContact O-N 2.64Å |
| 421 | V | 95.7 | Very high | 95.5 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 173.6 | 168 | 0 | 0 | 0 | 0 | 110.6 | F326 I330 N417 Y418 K425 | F326-V421 HydrophobicContact CB-CG2 4.32Å; F326-V421 HydrophobicContact CD2-CG2 3.69Å; F326-V421 HydrophobicContact CE2-CG2 4.33Å; F326-V421 HydrophobicContact CG-CG2 4.17Å; I330-V421 HydrophobicContact CG2-CG2 3.9Å; N417-V421 WeakPolarHBondContact O-CB 3.46Å; N417-V421 WeakPolarHBondContact O-CG2 3.38Å; N417-V421 PolarHBondContact O-N 3.23Å; Y418-V421 PolarHBondContact O-N 3.4Å; V421-K425 WeakPolarHBondContact O-CB 3.4Å; V421-K425 PolarHBondContact O-N 3.39Å |
| 422 | N | 94.4 | Very high | 95.7 | Very high | 54 Ų | 54 | 52 Ų | 52 | 29% | 0.289 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 176.8 | -72.8 | -37.8 | 0 | 0 | 0 | 111.8 | Y418 D419 K420 K425 H426 | Y418-N422 WeakPolarHBondContact CD1-ND2 3.33Å; Y418-N422 WeakPolarHBondContact CE1-ND2 3.44Å; Y418-N422 VanDerWaalsContact CZ-ND2 3.34Å; Y418-N422 PolarHBondContact O-N 2.93Å; Y418-N422 VanDerWaalsContact O-N 3.1Å; Y418-N422 PolarHBondContact O-ND2 3.43Å; D419-N422 PolarHBondContact O-N 3.14Å; K420-N422 VanDerWaalsContact C-N 3.3Å; K420-N422 PolarHBondContact O-N 3.32Å; N422-K425 WeakPolarHBondContact O-CB 3.2Å; N422-K425 PolarHBondContact O-N 3.18Å; N422-H426 PolarHBondContact O-N 3.48Å; N422-H426 PolarHBondContact O-ND1 3.14Å |
| 423 | E | 95 | Very high | 95.8 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.3 | -52.2 | 175.4 | -179.2 | -171 | 132.9 | 0 | 0 | 112 | D419 K420 K425 H426 H427 F512 | D419-E423 PolarHBondContact O-N 2.91Å; K420-E423 IonicContact NZ-OE1 3.6Å; K420-E423 PolarHBondContact NZ-OE1 3.45Å; K420-E423 IonicContact NZ-OE2 3.55Å; K420-E423 PolarHBondContact NZ-OE2 2.97Å; K420-E423 PolarHBondContact O-N 3.19Å; E423-K425 VanDerWaalsContact C-N 3.29Å; E423-K425 PolarHBondContact O-N 3.33Å; E423-H426 WeakPolarHBondContact O-CB 3.46Å; E423-H426 PolarHBondContact O-N 3.21Å; E423-H426 VanDerWaalsContact O-N 3.1Å; E423-H427 PolarHBondContact O-N 2.7Å; E423-F512 WeakPolarHBondContact OE1-CZ 3.44Å |
| 424 | I | 95.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -35.4 | -179.2 | -62.7 | -57.2 | 0 | 0 | 0 | 111.4 | F326 F329 K420 H426 H427 L428 F512 L515 | F326-I424 HydrophobicContact CB-CB 4.33Å; F326-I424 HydrophobicContact CB-CG2 4.1Å; F329-I424 HydrophobicContact CB-CD1 4.19Å; F329-I424 HydrophobicContact CB-CG1 3.92Å; F329-I424 HydrophobicContact CD1-CD1 3.8Å; F329-I424 HydrophobicContact CD1-CG1 4.46Å; F329-I424 HydrophobicContact CD2-CD1 3.58Å; F329-I424 HydrophobicContact CD2-CG1 3.68Å; F329-I424 HydrophobicContact CD2-CG2 4.16Å; F329-I424 HydrophobicContact CE1-CD1 3.99Å; F329-I424 HydrophobicContact CE2-CD1 3.77Å; F329-I424 HydrophobicContact CE2-CG1 4.27Å; F329-I424 HydrophobicContact CE2-CG2 4.3Å; F329-I424 HydrophobicContact CG-CD1 3.58Å; F329-I424 HydrophobicContact CG-CG1 3.77Å; F329-I424 HydrophobicContact CZ-CD1 3.97Å; K420-I424 HydrophobicContact CD-CD1 4.34Å; K420-I424 HydrophobicContact CD-CG1 4.12Å; K420-I424 HydrophobicContact CG-CG1 4.28Å; K420-I424 VanDerWaalsContact O-CG1 3.29Å; K420-I424 WeakPolarHBondContact O-CG1 3.42Å; K420-I424 PolarHBondContact O-N 2.64Å; I424-H426 VanDerWaalsContact C-N 3.3Å; I424-H426 PolarHBondContact O-N 3.08Å; I424-H427 PolarHBondContact O-N 3.35Å; I424-H427 VanDerWaalsContact O-N 3.15Å; I424-L428 HydrophobicContact CG2-CD1 3.89Å; I424-L428 HydrophobicContact CG2-CG 4.11Å; I424-L428 WeakPolarHBondContact O-CG 3.23Å; I424-L428 PolarHBondContact O-N 3.5Å; I424-F512 HydrophobicContact CD1-CE1 3.86Å; I424-F512 HydrophobicContact CD1-CZ 4.46Å; I424-L515 HydrophobicContact CD1-CD2 4.29Å |
| 425 | K | 95.3 | Very high | 95.8 | Very high | 116 Ų | 116 | 48.8 Ų | 48.8 | 50% | 0.504 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.6 | -44.1 | 173.5 | -176.2 | 179.4 | 179.5 | 178.6 | 0 | 111.9 | V421 N422 E423 L428 Q429 | V421-K425 WeakPolarHBondContact O-CB 3.4Å; V421-K425 PolarHBondContact O-N 3.39Å; N422-K425 WeakPolarHBondContact O-CB 3.2Å; N422-K425 PolarHBondContact O-N 3.18Å; E423-K425 VanDerWaalsContact C-N 3.29Å; E423-K425 PolarHBondContact O-N 3.33Å; K425-L428 PolarHBondContact O-N 2.87Å; K425-Q429 WeakPolarHBondContact O-CG 3.48Å; K425-Q429 PolarHBondContact O-N 3.19Å |
| 426 | H | 95.6 | Very high | 95.9 | Very high | 119 Ų | 119 | 47.5 Ų | 47.5 | 55% | 0.551 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66 | -37.9 | 177 | -67.8 | 87.6 | 0 | 0 | 0 | 111.9 | N422 E423 I424 Q429 A430 | N422-H426 PolarHBondContact O-N 3.48Å; N422-H426 PolarHBondContact O-ND1 3.14Å; E423-H426 WeakPolarHBondContact O-CB 3.46Å; E423-H426 PolarHBondContact O-N 3.21Å; E423-H426 VanDerWaalsContact O-N 3.1Å; I424-H426 VanDerWaalsContact C-N 3.3Å; I424-H426 PolarHBondContact O-N 3.08Å; H426-Q429 PolarHBondContact O-N 3.27Å; H426-A430 PolarHBondContact O-N 3.34Å |
| 427 | H | 96.8 | Very high | 95.9 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 11% | 0.111 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 175.4 | -68.6 | -37.8 | 0 | 0 | 0 | 113.1 | E423 I424 A430 A431 F512 L515 R516 | E423-H427 PolarHBondContact O-N 2.7Å; I424-H427 PolarHBondContact O-N 3.35Å; I424-H427 VanDerWaalsContact O-N 3.15Å; H427-A430 WeakPolarHBondContact O-CB 3.32Å; H427-A430 PolarHBondContact O-N 3.01Å; H427-A431 PolarHBondContact O-N 2.85Å; H427-F512 AromaticContact CD2-CD1 3.8Å; H427-F512 AromaticContact CD2-CD2 3.96Å; H427-F512 AromaticContact CD2-CE1 3.97Å; H427-F512 AromaticContact CD2-CG 3.78Å; H427-F512 AromaticContact CE1-CD2 3.96Å; H427-F512 AromaticContact NE2-CD2 3.45Å; H427-F512 WeakPolarHBondContact NE2-CD2 3.36Å; H427-F512 AromaticContact NE2-CE2 3.6Å; H427-F512 AromaticContact NE2-CG 3.74Å; H427-L515 HydrophobicContact CB-CD2 4.14Å; H427-R516 HydrophobicContact CB-CG 3.96Å; H427-R516 WeakPolarHBondContact ND1-CD 3.33Å; H427-R516 PolarHBondContact ND1-NH1 3.11Å |
| 428 | L | 97.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.9 | -34.7 | 176.2 | -67.2 | 173.5 | 0 | 0 | 0 | 112.1 | L277 I320 L325 I424 K425 A431 V432 L515 | L277-L428 HydrophobicContact CD2-CD2 4.29Å; I320-L428 HydrophobicContact CG2-CB 4.08Å; I320-L428 HydrophobicContact CG2-CD1 3.88Å; I320-L428 HydrophobicContact CG2-CD2 4.01Å; I320-L428 HydrophobicContact CG2-CG 4.21Å; L325-L428 HydrophobicContact CB-CD1 4.34Å; L325-L428 HydrophobicContact CD1-CD2 3.91Å; I424-L428 HydrophobicContact CG2-CD1 3.89Å; I424-L428 HydrophobicContact CG2-CG 4.11Å; I424-L428 WeakPolarHBondContact O-CG 3.23Å; I424-L428 PolarHBondContact O-N 3.5Å; K425-L428 PolarHBondContact O-N 2.87Å; L428-A431 VanDerWaalsContact O-CB 3.28Å; L428-A431 WeakPolarHBondContact O-CB 2.87Å; L428-A431 PolarHBondContact O-N 2.69Å; L428-V432 WeakPolarHBondContact O-CG2 3.48Å; L428-V432 PolarHBondContact O-N 2.88Å; L428-L515 HydrophobicContact CD2-CD1 3.99Å; L428-L515 HydrophobicContact CD2-CG 4.34Å |
| 429 | Q | 96.3 | Very high | 95.6 | Very high | 109 Ų | 109 | 43.4 Ų | 43.4 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 170.8 | -73.9 | 173.7 | -23.3 | 0 | 0 | 111.8 | K425 H426 A431 V432 G433 | K425-Q429 WeakPolarHBondContact O-CG 3.48Å; K425-Q429 PolarHBondContact O-N 3.19Å; H426-Q429 PolarHBondContact O-N 3.27Å; Q429-A431 VanDerWaalsContact C-N 3.29Å; Q429-A431 PolarHBondContact O-N 3.16Å; Q429-V432 PolarHBondContact O-N 2.95Å; Q429-G433 PolarHBondContact O-N 2.94Å |
| 430 | A | 96.3 | Very high | 95.6 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -39.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H426 H427 V432 G433 N434 R516 | H426-A430 PolarHBondContact O-N 3.34Å; H427-A430 WeakPolarHBondContact O-CB 3.32Å; H427-A430 PolarHBondContact O-N 3.01Å; A430-V432 PolarHBondContact O-N 3.36Å; A430-G433 PolarHBondContact O-N 3.39Å; A430-N434 PolarHBondContact O-N 3.33Å; A430-N434 PolarHBondContact O-ND2 3Å; A430-R516 HydrophobicContact CB-CB 4.47Å; A430-R516 HydrophobicContact CB-CG 4.33Å |
| 431 | A | 97.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L277 H427 L428 Q429 G433 N434 V435 L515 R516 R517 | L277-A431 HydrophobicContact CD2-CB 3.9Å; H427-A431 PolarHBondContact O-N 2.85Å; L428-A431 VanDerWaalsContact O-CB 3.28Å; L428-A431 WeakPolarHBondContact O-CB 2.87Å; L428-A431 PolarHBondContact O-N 2.69Å; Q429-A431 VanDerWaalsContact C-N 3.29Å; Q429-A431 PolarHBondContact O-N 3.16Å; A431-G433 VanDerWaalsContact C-N 3.35Å; A431-N434 PolarHBondContact O-N 3.38Å; A431-V435 VanDerWaalsContact O-CG2 3.29Å; A431-V435 WeakPolarHBondContact O-CG2 3.46Å; A431-V435 PolarHBondContact O-N 3.44Å; A431-L515 WeakPolarHBondContact CB-O 3.05Å; A431-R516 VanDerWaalsContact CA-O 3.26Å; A431-R516 WeakPolarHBondContact CA-O 3.2Å; A431-R517 HydrophobicContact CB-CG 3.87Å |
| 432 | V | 97.4 | Very high | 95.3 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -48.6 | 174.8 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | E313 L316 I320 L428 Q429 A430 N434 V435 L436 | E313-V432 HydrophobicContact CG-CG1 3.86Å; L316-V432 HydrophobicContact CD2-CB 4.4Å; L316-V432 HydrophobicContact CD2-CG1 4.34Å; L316-V432 HydrophobicContact CD2-CG2 4.09Å; L316-V432 HydrophobicContact CG-CG2 4.17Å; I320-V432 HydrophobicContact CD1-CG2 3.62Å; L428-V432 WeakPolarHBondContact O-CG2 3.48Å; L428-V432 PolarHBondContact O-N 2.88Å; Q429-V432 PolarHBondContact O-N 2.95Å; A430-V432 PolarHBondContact O-N 3.36Å; V432-N434 VanDerWaalsContact C-N 3.33Å; V432-N434 PolarHBondContact O-N 2.98Å; V432-V435 PolarHBondContact O-N 2.94Å; V432-L436 HydrophobicContact CG1-CD1 3.94Å; V432-L436 HydrophobicContact CG1-CG 4.45Å; V432-L436 VanDerWaalsContact O-CG 3.29Å; V432-L436 WeakPolarHBondContact O-CG 3.45Å; V432-L436 PolarHBondContact O-N 3.45Å |
| 433 | G | 96.9 | Very high | 95.3 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 37% | 0.371 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.1 | -43.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q429 A430 A431 L436 A437 | Q429-G433 PolarHBondContact O-N 2.94Å; A430-G433 PolarHBondContact O-N 3.39Å; A431-G433 VanDerWaalsContact C-N 3.35Å; G433-L436 PolarHBondContact O-N 3.3Å; G433-A437 WeakPolarHBondContact O-CB 3.43Å; G433-A437 PolarHBondContact O-N 3.14Å |
| 434 | N | 96.1 | Very high | 95.1 | Very high | 50 Ų | 50 | 44.9 Ų | 44.9 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72 | -35.7 | 179.5 | -74.5 | -40.7 | 0 | 0 | 0 | 113.3 | A430 A431 V432 L436 A437 N438 R516 R517 E518 | A430-N434 PolarHBondContact O-N 3.33Å; A430-N434 PolarHBondContact O-ND2 3Å; A431-N434 PolarHBondContact O-N 3.38Å; V432-N434 VanDerWaalsContact C-N 3.33Å; V432-N434 PolarHBondContact O-N 2.98Å; N434-L436 VanDerWaalsContact C-N 3.32Å; N434-L436 PolarHBondContact O-N 3.44Å; N434-A437 PolarHBondContact O-N 3.22Å; N434-N438 WeakPolarHBondContact O-CB 3.26Å; N434-N438 PolarHBondContact O-N 2.96Å; N434-R516 PolarHBondContact ND2-O 3.43Å; N434-R517 HydrophobicContact CB-CB 4.19Å; N434-R517 VanDerWaalsContact CB-O 3.25Å; N434-R517 WeakPolarHBondContact CB-O 3.32Å; N434-E518 WeakPolarHBondContact ND2-CG 3.09Å |
| 435 | V | 96.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 171.3 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | V281 L316 A431 V432 N438 A439 I460 M461 R517 | V281-V435 HydrophobicContact CG1-CG1 4.45Å; V281-V435 HydrophobicContact CG1-CG2 4.33Å; V281-V435 HydrophobicContact CG2-CG2 4.05Å; L316-V435 HydrophobicContact CD2-CB 3.95Å; L316-V435 HydrophobicContact CD2-CG1 3.89Å; L316-V435 HydrophobicContact CD2-CG2 4.09Å; A431-V435 VanDerWaalsContact O-CG2 3.29Å; A431-V435 WeakPolarHBondContact O-CG2 3.46Å; A431-V435 PolarHBondContact O-N 3.44Å; V432-V435 PolarHBondContact O-N 2.94Å; V435-N438 PolarHBondContact O-N 3.46Å; V435-A439 WeakPolarHBondContact O-CB 3.34Å; V435-A439 PolarHBondContact O-N 3Å; V435-I460 HydrophobicContact CG1-CG2 4.23Å; V435-M461 HydrophobicContact CB-SD 4.42Å; V435-M461 HydrophobicContact CG2-CE 4.34Å; V435-M461 HydrophobicContact CG2-SD 3.6Å; V435-R517 HydrophobicContact CG2-CB 4.44Å; V435-R517 HydrophobicContact CG2-CG 4.26Å |
| 436 | L | 96.4 | Very high | 94.2 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66 | -42.1 | 177.7 | -65.8 | 169.5 | 0 | 0 | 0 | 112.4 | L309 I312 E313 V432 G433 N434 N438 A439 R440 | L309-L436 HydrophobicContact CB-CD2 4.41Å; L309-L436 HydrophobicContact CD2-CD2 4Å; L309-L436 WeakPolarHBondContact O-CD2 3.2Å; I312-L436 HydrophobicContact CB-CD2 4.02Å; I312-L436 HydrophobicContact CG2-CD2 3.73Å; E313-L436 HydrophobicContact CB-CD1 3.72Å; E313-L436 HydrophobicContact CB-CD2 4.13Å; E313-L436 HydrophobicContact CB-CG 4.49Å; E313-L436 HydrophobicContact CG-CD1 3.81Å; V432-L436 HydrophobicContact CG1-CD1 3.94Å; V432-L436 HydrophobicContact CG1-CG 4.45Å; V432-L436 VanDerWaalsContact O-CG 3.29Å; V432-L436 WeakPolarHBondContact O-CG 3.45Å; V432-L436 PolarHBondContact O-N 3.45Å; G433-L436 PolarHBondContact O-N 3.3Å; N434-L436 VanDerWaalsContact C-N 3.32Å; N434-L436 PolarHBondContact O-N 3.44Å; L436-N438 VanDerWaalsContact C-N 3.33Å; L436-N438 PolarHBondContact O-N 3.08Å; L436-A439 PolarHBondContact O-N 3.35Å; L436-R440 WeakPolarHBondContact O-CB 3.14Å; L436-R440 PolarHBondContact O-N 3.31Å |
| 437 | A | 94.1 | Very high | 93.5 | Very high | 55 Ų | 55 | 48.8 Ų | 48.8 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G433 N434 R440 Y441 | G433-A437 WeakPolarHBondContact O-CB 3.43Å; G433-A437 PolarHBondContact O-N 3.14Å; N434-A437 PolarHBondContact O-N 3.22Å; A437-R440 WeakPolarHBondContact O-CB 3.34Å; A437-R440 PolarHBondContact O-N 2.84Å; A437-Y441 PolarHBondContact O-N 3Å |
| 438 | N | 93.1 | Very high | 92.8 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 24% | 0.235 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 175.7 | -176.1 | 66.7 | 0 | 0 | 0 | 112.1 | N434 V435 L436 R440 Y441 R442 I460 M461 | N434-N438 WeakPolarHBondContact O-CB 3.26Å; N434-N438 PolarHBondContact O-N 2.96Å; V435-N438 PolarHBondContact O-N 3.46Å; L436-N438 VanDerWaalsContact C-N 3.33Å; L436-N438 PolarHBondContact O-N 3.08Å; N438-R440 VanDerWaalsContact C-N 3.27Å; N438-R440 PolarHBondContact O-N 2.99Å; N438-Y441 PolarHBondContact O-N 3.44Å; N438-R442 VanDerWaalsContact ND2-CD 3.32Å; N438-R442 WeakPolarHBondContact ND2-CD 3.48Å; N438-R442 WeakPolarHBondContact O-CB 3.17Å; N438-R442 VanDerWaalsContact O-CG 3.24Å; N438-R442 WeakPolarHBondContact O-CG 3.37Å; N438-R442 PolarHBondContact O-N 3.25Å; N438-I460 PolarHBondContact ND2-O 3.48Å; N438-M461 HydrophobicContact CB-CE 4.02Å; N438-M461 WeakPolarHBondContact ND2-CA 3.1Å |
| 439 | A | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.5 | -42 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | L309 V435 L436 R442 F443 I460 | L309-A439 HydrophobicContact CD2-CB 4.12Å; V435-A439 WeakPolarHBondContact O-CB 3.34Å; V435-A439 PolarHBondContact O-N 3Å; L436-A439 PolarHBondContact O-N 3.35Å; A439-R442 PolarHBondContact O-N 3.18Å; A439-F443 WeakPolarHBondContact O-CD2 3.49Å; A439-F443 PolarHBondContact O-N 3.42Å; A439-I460 HydrophobicContact CB-CG2 3.96Å |
| 440 | R | 94.3 | Very high | 91.7 | Very high | 140 Ų | 140 | 51.9 Ų | 51.9 | 53% | 0.528 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -59.3 | -52.2 | 176.3 | -174.3 | -177.2 | -66.9 | -169.5 | -1.3 | 112.4 | L309 L436 A437 N438 R442 Y444 D445 | L309-R440 HydrophobicContact CD1-CB 4.21Å; L309-R440 HydrophobicContact CD1-CG 4.39Å; L436-R440 WeakPolarHBondContact O-CB 3.14Å; L436-R440 PolarHBondContact O-N 3.31Å; A437-R440 WeakPolarHBondContact O-CB 3.34Å; A437-R440 PolarHBondContact O-N 2.84Å; N438-R440 VanDerWaalsContact C-N 3.27Å; N438-R440 PolarHBondContact O-N 2.99Å; R440-R442 VanDerWaalsContact C-N 3.3Å; R440-R442 PolarHBondContact O-N 3.15Å; R440-Y444 HydrophobicContact CB-CD2 4.42Å; R440-Y444 PolarHBondContact O-N 3.22Å; R440-D445 PolarHBondContact O-N 2.93Å |
| 441 | Y | 91.7 | Very high | 91.3 | Very high | 117 Ų | 117 | 53.7 Ų | 53.7 | 46% | 0.459 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -60.3 | -39.3 | 177.5 | 178.4 | -102 | 0 | 0 | 0 | 112.5 | A437 N438 G448 L449 | A437-Y441 PolarHBondContact O-N 3Å; N438-Y441 PolarHBondContact O-N 3.44Å; Y441-G448 CarbonylContact O-C 3.5Å; Y441-G448 WeakPolarHBondContact O-CA 3.45Å; Y441-L449 HydrophobicContact CE1-CG 4.07Å; Y441-L449 PolarHBondContact O-N 2.68Å |
| 442 | R | 92.3 | Very high | 90.6 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -77.7 | -32.8 | -174.8 | -69 | 178.1 | 71.2 | 119.3 | -2.2 | 114.1 | N438 A439 R440 L449 K450 L451 P459 | N438-R442 VanDerWaalsContact ND2-CD 3.32Å; N438-R442 WeakPolarHBondContact ND2-CD 3.48Å; N438-R442 WeakPolarHBondContact O-CB 3.17Å; N438-R442 VanDerWaalsContact O-CG 3.24Å; N438-R442 WeakPolarHBondContact O-CG 3.37Å; N438-R442 PolarHBondContact O-N 3.25Å; A439-R442 PolarHBondContact O-N 3.18Å; R440-R442 VanDerWaalsContact C-N 3.3Å; R440-R442 PolarHBondContact O-N 3.15Å; R442-L449 HydrophobicContact CG-CD1 4.31Å; R442-K450 WeakPolarHBondContact O-CA 3.35Å; R442-K450 PolarHBondContact O-N 3.1Å; R442-L451 HydrophobicContact CB-CD1 4.42Å; R442-L451 PolarHBondContact O-N 3.25Å; R442-P459 PolarHBondContact NE-O 3.3Å; R442-P459 PolarHBondContact NH2-O 2.82Å |
| 443 | F | 93.6 | Very high | 90.4 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 4% | 0.044 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -116.1 | -34.4 | -170.7 | -62.9 | -83.9 | 0 | 0 | 0 | 114.4 | L302 A439 L451 V454 T458 | L302-F443 HydrophobicContact CB-CB 4.07Å; L302-F443 HydrophobicContact CB-CD1 4.2Å; L302-F443 HydrophobicContact CB-CG 4.19Å; L302-F443 HydrophobicContact CD1-CB 4.36Å; L302-F443 HydrophobicContact CD1-CD1 4.15Å; L302-F443 HydrophobicContact CD1-CD2 3.93Å; L302-F443 HydrophobicContact CD1-CE1 4.48Å; L302-F443 HydrophobicContact CD1-CE2 4.31Å; L302-F443 HydrophobicContact CD1-CG 3.87Å; A439-F443 WeakPolarHBondContact O-CD2 3.49Å; A439-F443 PolarHBondContact O-N 3.42Å; F443-L451 HydrophobicContact CD1-CB 4.08Å; F443-L451 HydrophobicContact CE1-CB 3.82Å; F443-L451 HydrophobicContact CZ-CB 4.49Å; F443-V454 HydrophobicContact CE1-CG2 3.94Å; F443-V454 HydrophobicContact CZ-CG2 3.86Å; F443-T458 WeakPolarHBondContact CZ-O 3.32Å |
| 444 | Y | 91.9 | Very high | 90.2 | Very high | 30 Ų | 30 | 62.7 Ų | 62.7 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -112.6 | -36.9 | -168.8 | -49.3 | -60.6 | 0 | 0 | 0 | 114.3 | L302 P305 E308 L309 R440 | L302-Y444 HydrophobicContact CB-CE1 3.82Å; L302-Y444 WeakPolarHBondContact CB-OH 3.19Å; P305-Y444 HydrophobicContact CB-CD1 4Å; P305-Y444 HydrophobicContact CB-CD2 3.77Å; P305-Y444 HydrophobicContact CB-CE1 4.37Å; P305-Y444 HydrophobicContact CB-CE2 4.25Å; P305-Y444 HydrophobicContact CB-CG 3.7Å; P305-Y444 HydrophobicContact CG-CD1 4.23Å; P305-Y444 HydrophobicContact CG-CG 4.17Å; E308-Y444 VanDerWaalsContact CB-OH 3.32Å; E308-Y444 WeakPolarHBondContact CB-OH 3.39Å; E308-Y444 VanDerWaalsContact OE2-CE1 3.28Å; E308-Y444 WeakPolarHBondContact OE2-CE1 3.49Å; E308-Y444 PolarHBondContact OE2-OH 3.46Å; L309-Y444 HydrophobicContact CD1-CD2 4.01Å; L309-Y444 HydrophobicContact CD1-CE2 4.09Å; L309-Y444 HydrophobicContact CD2-CD2 4.18Å; L309-Y444 HydrophobicContact CD2-CE2 3.6Å; L309-Y444 HydrophobicContact CG-CD2 4.04Å; L309-Y444 HydrophobicContact CG-CE2 3.59Å; R440-Y444 HydrophobicContact CB-CD2 4.42Å; R440-Y444 PolarHBondContact O-N 3.22Å |
| 445 | D | 87.5 | Confident | 90 | Very high | 50 Ų | 50 | 62.3 Ų | 62.3 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | trans | -59.8 | 129.2 | -168.9 | -166.7 | -53.9 | 0 | 0 | 0 | 111.7 | R440 H447 G448 K450 | R440-D445 PolarHBondContact O-N 2.93Å; D445-H447 PolarHBondContact O-N 3.28Å; D445-H447 VanDerWaalsContact O-N 3.15Å; D445-H447 WeakPolarHBondContact OD1-CA 3.46Å; D445-H447 PolarHBondContact OD1-N 3.13Å; D445-G448 PolarHBondContact O-N 3.08Å; D445-G448 PolarHBondContact OD1-N 3.33Å; D445-K450 VanDerWaalsContact O-CE 3.31Å; D445-K450 WeakPolarHBondContact O-CE 3.4Å | ||
| 446 | P | 83.1 | Confident | 89.7 | Confident | 92 Ų | 92 | 66.6 Ų | 66.6 | 60% | 0.597 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -34.1 | 175.9 | -29.1 | 36.4 | 0 | 0 | 0 | 114.7 | K450 | P446-K450 VanDerWaalsContact CA-CE 3.42Å; P446-K450 VanDerWaalsContact O-CE 3.29Å; P446-K450 WeakPolarHBondContact O-CE 3.27Å; P446-K450 PolarHBondContact O-NZ 3.24Å |
| 447 | H | 81.1 | Confident | 89.1 | Confident | 174 Ų | 174 | 72 Ų | 72 | 81% | 0.806 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 1 | 179.9 | -58.2 | -71.9 | 0 | 0 | 0 | 113.2 | D445 | D445-H447 PolarHBondContact O-N 3.28Å; D445-H447 VanDerWaalsContact O-N 3.15Å; D445-H447 WeakPolarHBondContact OD1-CA 3.46Å; D445-H447 PolarHBondContact OD1-N 3.13Å |
| 448 | G | 82.3 | Confident | 89 | Confident | 16 Ų | 16 | 70.9 Ų | 70.9 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -90.5 | -166.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y441 D445 | Y441-G448 CarbonylContact O-C 3.5Å; Y441-G448 WeakPolarHBondContact O-CA 3.45Å; D445-G448 PolarHBondContact O-N 3.08Å; D445-G448 PolarHBondContact OD1-N 3.33Å |
| 449 | L | 83.2 | Confident | 89 | Confident | 94 Ų | 94 | 68.8 Ų | 68.8 | 49% | 0.492 | 34% | 0.335 | S | S | . | . | trans | -75.9 | -24 | -170.7 | -61.9 | -178.8 | 0 | 0 | 0 | 114.8 | Y441 R442 L451 | Y441-L449 HydrophobicContact CE1-CG 4.07Å; Y441-L449 PolarHBondContact O-N 2.68Å; R442-L449 HydrophobicContact CG-CD1 4.31Å; L449-L451 HydrophobicContact CB-CD1 4.46Å; L449-L451 HydrophobicContact CB-CD2 4.15Å; L449-L451 HydrophobicContact CB-CG 3.91Å; L449-L451 HydrophobicContact CD1-CD1 4.29Å; L449-L451 PolarHBondContact O-N 2.76Å | ||
| 450 | K | 86.7 | Confident | 88.9 | Confident | 108 Ų | 108 | 68.8 Ų | 68.8 | 47% | 0.47 | 34% | 0.335 | S | S | . | . | trans | 47.9 | 49.9 | -179.6 | -65.5 | 173.5 | 169.6 | 162.9 | 0 | 114.1 | R442 D445 P446 K452 | R442-K450 WeakPolarHBondContact O-CA 3.35Å; R442-K450 PolarHBondContact O-N 3.1Å; D445-K450 VanDerWaalsContact O-CE 3.31Å; D445-K450 WeakPolarHBondContact O-CE 3.4Å; P446-K450 VanDerWaalsContact CA-CE 3.42Å; P446-K450 VanDerWaalsContact O-CE 3.29Å; P446-K450 WeakPolarHBondContact O-CE 3.27Å; P446-K450 PolarHBondContact O-NZ 3.24Å; K450-K452 PolarHBondContact O-N 2.81Å; K450-K452 VanDerWaalsContact O-N 3.15Å | ||
| 451 | L | 88.1 | Confident | 88.9 | Confident | 61 Ų | 61 | 62.5 Ų | 62.5 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | trans | -67 | -13.7 | -175.4 | -62.2 | 174.8 | 0 | 0 | 0 | 114.3 | R442 F443 L449 Q453 T458 | R442-L451 HydrophobicContact CB-CD1 4.42Å; R442-L451 PolarHBondContact O-N 3.25Å; F443-L451 HydrophobicContact CD1-CB 4.08Å; F443-L451 HydrophobicContact CE1-CB 3.82Å; F443-L451 HydrophobicContact CZ-CB 4.49Å; L449-L451 HydrophobicContact CB-CD1 4.46Å; L449-L451 HydrophobicContact CB-CD2 4.15Å; L449-L451 HydrophobicContact CB-CG 3.91Å; L449-L451 HydrophobicContact CD1-CD1 4.29Å; L449-L451 PolarHBondContact O-N 2.76Å; L451-Q453 PolarHBondContact O-N 2.85Å; L451-T458 HydrophobicContact CB-CG2 4.4Å; L451-T458 HydrophobicContact CD1-CG2 3.99Å; L451-T458 HydrophobicContact CD2-CG2 4.26Å; L451-T458 HydrophobicContact CG-CG2 4.44Å | ||
| 452 | K | 84 | Confident | 88.8 | Confident | 141 Ų | 141 | 61.4 Ų | 61.4 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | trans | 61.9 | -47.1 | -179.8 | -58.2 | -179.7 | -179.2 | 178.7 | 0 | 116.4 | I301 L302 K450 | I301-K452 CarbonylContact C-O 3.43Å; I301-K452 WeakPolarHBondContact CA-O 3.43Å; L302-K452 PolarHBondContact N-O 3.47Å; K450-K452 PolarHBondContact O-N 2.81Å; K450-K452 VanDerWaalsContact O-N 3.15Å | ||
| 453 | Q | 92.1 | Very high | 88.9 | Confident | 93 Ų | 93 | 61.9 Ų | 61.9 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -121.3 | 132.7 | -173.2 | -174.3 | 175.2 | -2.2 | 0 | 0 | 111 | A300 I301 L451 T455 T458 | A300-Q453 WeakPolarHBondContact O-CA 3.33Å; I301-Q453 HydrophobicContact CG1-CG 4.29Å; L451-Q453 PolarHBondContact O-N 2.85Å; Q453-T455 HydrophobicContact CG-CG2 4.1Å; Q453-T458 PolarHBondContact O-OG1 2.87Å |
| 454 | V | 92.9 | Very high | 89 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | trans | -77 | 122.2 | 170.8 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | T285 A288 S289 A300 L302 F443 T458 I460 | T285-V454 HydrophobicContact CG2-CG1 3.98Å; A288-V454 HydrophobicContact CB-CG1 4.3Å; S289-V454 WeakPolarHBondContact CB-O 3.44Å; A300-V454 PolarHBondContact O-N 2.77Å; L302-V454 HydrophobicContact CD1-CG2 3.45Å; L302-V454 VanDerWaalsContact CD1-CG2 3.45Å; L302-V454 HydrophobicContact CG-CG2 3.8Å; F443-V454 HydrophobicContact CE1-CG2 3.94Å; F443-V454 HydrophobicContact CZ-CG2 3.86Å; V454-T458 WeakPolarHBondContact CA-O 3.24Å; V454-I460 HydrophobicContact CG1-CD1 4.34Å; V454-I460 HydrophobicContact CG1-CG1 3.96Å; V454-I460 HydrophobicContact CG2-CD1 4.25Å; V454-I460 HydrophobicContact CG2-CG1 3.79Å | ||
| 455 | T | 92.7 | Very high | 89.1 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 26% | 0.258 | 31% | 0.305 | S | S | . | . | trans | -136.1 | 174.9 | 172 | 72.4 | 0 | 0 | 0 | 0 | 108.4 | Q453 D457 T458 P459 | Q453-T455 HydrophobicContact CG-CG2 4.1Å; T455-D457 PolarHBondContact O-N 2.99Å; T455-D457 PolarHBondContact OG1-N 2.7Å; T455-T458 WeakPolarHBondContact CB-OG1 3.4Å; T455-T458 PolarHBondContact N-O 3.23Å; T455-T458 PolarHBondContact N-OG1 2.93Å; T455-T458 CarbonylContact O-C 3.59Å; T455-T458 PolarHBondContact O-N 2.86Å; T455-T458 VanDerWaalsContact O-N 3.14Å; T455-T458 PolarHBondContact OG1-N 2.71Å; T455-T458 PolarHBondContact OG1-OG1 3.42Å; T455-P459 WeakPolarHBondContact O-CA 3.34Å | ||
| 456 | L | 88.8 | Confident | 89.4 | Confident | 91 Ų | 91 | 61.1 Ų | 61.1 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -64.8 | -26.8 | 174.3 | -57.9 | -178.7 | 0 | 0 | 0 | 112.5 | W282 I286 | W282-L456 HydrophobicContact CH2-CD2 4.43Å; W282-L456 HydrophobicContact CZ2-CD2 4.17Å; I286-L456 HydrophobicContact CG1-CD2 3.96Å |
| 457 | D | 85.2 | Confident | 89.8 | Confident | 135 Ų | 135 | 59.7 Ų | 59.7 | 72% | 0.722 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -87.4 | -17.8 | 174.6 | -61.4 | -47.2 | 0 | 0 | 0 | 112.8 | T455 P459 | T455-D457 PolarHBondContact O-N 2.99Å; T455-D457 PolarHBondContact OG1-N 2.7Å; D457-P459 WeakPolarHBondContact O-CD 3.42Å |
| 458 | T | 90.4 | Very high | 90.1 | Very high | 31 Ų | 31 | 52.7 Ų | 52.7 | 19% | 0.19 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -124.6 | 62.1 | 177 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | F443 L451 Q453 V454 T455 | F443-T458 WeakPolarHBondContact CZ-O 3.32Å; L451-T458 HydrophobicContact CB-CG2 4.4Å; L451-T458 HydrophobicContact CD1-CG2 3.99Å; L451-T458 HydrophobicContact CD2-CG2 4.26Å; L451-T458 HydrophobicContact CG-CG2 4.44Å; Q453-T458 PolarHBondContact O-OG1 2.87Å; V454-T458 WeakPolarHBondContact CA-O 3.24Å; T455-T458 WeakPolarHBondContact CB-OG1 3.4Å; T455-T458 PolarHBondContact N-O 3.23Å; T455-T458 PolarHBondContact N-OG1 2.93Å; T455-T458 CarbonylContact O-C 3.59Å; T455-T458 PolarHBondContact O-N 2.86Å; T455-T458 VanDerWaalsContact O-N 3.14Å; T455-T458 PolarHBondContact OG1-N 2.71Å; T455-T458 PolarHBondContact OG1-OG1 3.42Å |
| 459 | P | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -70.6 | 160.5 | -174 | 31.3 | -39.4 | 0 | 0 | 0 | 112.3 | W282 T285 R442 T455 D457 M461 W462 | W282-P459 HydrophobicContact CZ3-CB 3.85Å; W282-P459 HydrophobicContact CZ3-CG 4.4Å; T285-P459 HydrophobicContact CG2-CB 3.56Å; R442-P459 PolarHBondContact NE-O 3.3Å; R442-P459 PolarHBondContact NH2-O 2.82Å; T455-P459 WeakPolarHBondContact O-CA 3.34Å; D457-P459 WeakPolarHBondContact O-CD 3.42Å; P459-M461 VanDerWaalsContact C-N 3.28Å; P459-M461 PolarHBondContact O-N 2.85Å; P459-W462 HydrophobicContact CG-CD2 3.54Å; P459-W462 HydrophobicContact CG-CE3 3.59Å; P459-W462 HydrophobicContact CG-CG 4.06Å; P459-W462 HydrophobicContact CG-CH2 4.17Å; P459-W462 HydrophobicContact CG-CZ2 4.17Å; P459-W462 HydrophobicContact CG-CZ3 3.91Å | ||
| 460 | I | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -60.5 | -43.2 | 172.9 | -71.5 | 168.4 | 0 | 0 | 0 | 109.9 | L284 T285 A288 L302 V435 N438 A439 V454 | L284-I460 HydrophobicContact CD1-CD1 4.32Å; L284-I460 HydrophobicContact CD2-CD1 4.21Å; L284-I460 HydrophobicContact CD2-CG2 4.43Å; L284-I460 HydrophobicContact CG-CD1 3.84Å; T285-I460 PolarHBondContact OG1-N 2.78Å; A288-I460 HydrophobicContact CB-CD1 3.98Å; L302-I460 HydrophobicContact CD1-CG1 4.41Å; V435-I460 HydrophobicContact CG1-CG2 4.23Å; N438-I460 PolarHBondContact ND2-O 3.48Å; A439-I460 HydrophobicContact CB-CG2 3.96Å; V454-I460 HydrophobicContact CG1-CD1 4.34Å; V454-I460 HydrophobicContact CG1-CG1 3.96Å; V454-I460 HydrophobicContact CG2-CD1 4.25Å; V454-I460 HydrophobicContact CG2-CG1 3.79Å |
| 461 | M | 92.8 | Very high | 89.9 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.039 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -145.7 | 137.2 | 169.8 | -178.1 | 173.5 | -115.9 | 0 | 0 | 108.1 | V281 V435 N438 P459 Y464 R517 | V281-M461 HydrophobicContact CG1-CB 3.87Å; V281-M461 HydrophobicContact CG1-CG 4.47Å; V281-M461 HydrophobicContact CG1-SD 4.39Å; V435-M461 HydrophobicContact CB-SD 4.42Å; V435-M461 HydrophobicContact CG2-CE 4.34Å; V435-M461 HydrophobicContact CG2-SD 3.6Å; N438-M461 HydrophobicContact CB-CE 4.02Å; N438-M461 WeakPolarHBondContact ND2-CA 3.1Å; P459-M461 VanDerWaalsContact C-N 3.28Å; P459-M461 PolarHBondContact O-N 2.85Å; M461-Y464 HydrophobicContact CE-CE1 4.42Å; M461-Y464 HydrophobicContact CG-CE1 4.37Å; M461-Y464 HydrophobicContact SD-CE1 4.24Å; M461-R517 HydrophobicContact CE-CB 3.9Å; M461-R517 HydrophobicContact SD-CB 4.03Å; M461-R517 HydrophobicContact SD-CG 4.44Å |
| 462 | W | 90.7 | Very high | 89.8 | Confident | 94 Ų | 94 | 54.7 Ų | 54.7 | 36% | 0.356 | 28% | 0.281 | S | S | . | . | trans | -62.9 | 148.7 | 174.4 | -77.1 | 119.7 | 0 | 0 | 0 | 110.4 | P459 Y464 V521 | P459-W462 HydrophobicContact CG-CD2 3.54Å; P459-W462 HydrophobicContact CG-CE3 3.59Å; P459-W462 HydrophobicContact CG-CG 4.06Å; P459-W462 HydrophobicContact CG-CH2 4.17Å; P459-W462 HydrophobicContact CG-CZ2 4.17Å; P459-W462 HydrophobicContact CG-CZ3 3.91Å; W462-Y464 WeakPolarHBondContact O-CD1 3.5Å; W462-V521 HydrophobicContact CB-CG1 3.48Å; W462-V521 VanDerWaalsContact CB-CG1 3.48Å; W462-V521 HydrophobicContact CG-CG1 4.45Å | ||
| 463 | T | 93.3 | Very high | 89.8 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 17% | 0.172 | 28% | 0.281 | C | S | . | . | trans | -61 | 148.9 | 172.1 | 52.6 | 0 | 0 | 0 | 0 | 110.3 | D278 W282 F493 | D278-T463 WeakPolarHBondContact OD1-CA 3.38Å; W282-T463 HydrophobicContact CB-CG2 4.15Å; W282-T463 HydrophobicContact CD2-CG2 3.5Å; W282-T463 HydrophobicContact CE3-CG2 3.36Å; W282-T463 HydrophobicContact CG-CG2 3.86Å; W282-T463 HydrophobicContact CZ3-CG2 3.94Å; T463-F493 VanDerWaalsContact O-CD2 3.3Å; T463-F493 WeakPolarHBondContact O-CD2 3.17Å | ||
| 464 | Y | 95.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -101.3 | -10.7 | 176.9 | -81.2 | 27 | 0 | 0 | 0 | 111.9 | D278 M461 W462 F493 Y514 R517 L519 V521 | D278-Y464 VanDerWaalsContact CG-N 3.26Å; D278-Y464 PolarHBondContact OD1-N 3.34Å; D278-Y464 PolarHBondContact OD2-N 2.96Å; M461-Y464 HydrophobicContact CE-CE1 4.42Å; M461-Y464 HydrophobicContact CG-CE1 4.37Å; M461-Y464 HydrophobicContact SD-CE1 4.24Å; W462-Y464 WeakPolarHBondContact O-CD1 3.5Å; Y464-F493 WeakPolarHBondContact O-CB 3.39Å; Y464-F493 PolarHBondContact O-N 3.02Å; Y464-Y514 AromaticContact CD2-CD1 3.82Å; Y464-Y514 HydrophobicContact CD2-CD1 3.82Å; Y464-Y514 HydrophobicContact CD2-CE1 4.48Å; Y464-R517 HydrophobicContact CE2-CB 4.39Å; Y464-R517 WeakPolarHBondContact OH-CA 3.32Å; Y464-R517 PolarHBondContact OH-O 2.77Å; Y464-R517 VanDerWaalsContact OH-O 3.06Å; Y464-L519 HydrophobicContact CD2-CB 4.48Å; Y464-L519 HydrophobicContact CE2-CB 3.69Å; Y464-L519 PolarHBondContact OH-N 3.04Å; Y464-L519 VanDerWaalsContact OH-N 3.16Å; Y464-L519 PolarHBondContact OH-O 2.71Å; Y464-V521 HydrophobicContact CD1-CB 3.92Å; Y464-V521 HydrophobicContact CD1-CG1 3.86Å; Y464-V521 HydrophobicContact CD1-CG2 4.17Å; Y464-V521 HydrophobicContact CE1-CB 3.86Å; Y464-V521 HydrophobicContact CE1-CG1 3.74Å |
| 465 | F | 95.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 146.8 | -179.9 | -63.2 | -94.1 | 0 | 0 | 0 | 111.6 | L271 A274 Y275 D278 I490 M491 A492 Y514 | L271-F465 HydrophobicContact CB-CE1 4.06Å; L271-F465 HydrophobicContact CB-CZ 4.12Å; L271-F465 HydrophobicContact CD1-CE1 4.32Å; A274-F465 HydrophobicContact CB-CE2 4.19Å; A274-F465 HydrophobicContact CB-CZ 4.09Å; Y275-F465 HydrophobicContact CD2-CB 4.07Å; Y275-F465 HydrophobicContact CD2-CD2 4.42Å; Y275-F465 HydrophobicContact CD2-CG 4.17Å; D278-F465 HydrophobicContact CB-CD2 3.75Å; D278-F465 HydrophobicContact CB-CE2 4.24Å; D278-F465 PolarHBondContact OD2-N 3.14Å; D278-F465 VanDerWaalsContact OD2-N 3.13Å; F465-I490 HydrophobicContact CB-CG2 4.17Å; F465-I490 HydrophobicContact CD1-CG2 4.1Å; F465-I490 HydrophobicContact CG-CG2 4.39Å; F465-M491 CarbonylContact C-O 3.5Å; F465-M491 VanDerWaalsContact CA-O 3.22Å; F465-M491 WeakPolarHBondContact CA-O 3.25Å; F465-A492 HydrophobicContact CD1-CB 4.05Å; F465-A492 HydrophobicContact CE1-CB 3.77Å; F465-Y514 HydrophobicContact CE2-CD1 4.36Å; F465-Y514 HydrophobicContact CZ-CD1 4.11Å |
| 466 | Y | 93.6 | Very high | 89.3 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 27% | 0.271 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 128 | 160.7 | -178.5 | -92.2 | 0 | 0 | 0 | 109 | N250 H256 P468 K489 I490 M491 | N250-Y466 HydrophobicContact CB-CD2 4.29Å; H256-Y466 AromaticContact CE1-CE1 3.71Å; H256-Y466 AromaticContact CE1-CZ 3.69Å; Y466-P468 HydrophobicContact CE1-CB 4.14Å; Y466-K489 WeakPolarHBondContact CD1-O 3.31Å; Y466-I490 WeakPolarHBondContact O-CA 3.49Å; Y466-M491 HydrophobicContact CD1-CE 3.97Å; Y466-M491 HydrophobicContact CG-CE 4.16Å; Y466-M491 PolarHBondContact N-O 3.31Å |
| 467 | H | 90.3 | Very high | 89.4 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | trans | -109.1 | 118.2 | 179.1 | -172.1 | 67.7 | 0 | 0 | 0 | 110.2 | Y275 V469 V472 | Y275-H467 AromaticContact CE2-ND1 3.63Å; Y275-H467 AromaticContact CZ-ND1 3.72Å; Y275-H467 PolarHBondContact OH-CE1 2.97Å; Y275-H467 PolarHBondContact OH-ND1 2.87Å; H467-V469 PolarHBondContact CD2-O 2.88Å; H467-V469 PolarHBondContact NE2-O 3.33Å; H467-V472 WeakPolarHBondContact NE2-CG2 3.37Å | ||
| 468 | P | 87.2 | Confident | 89.6 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | trans | -82.3 | -17.4 | -170.4 | 29.8 | -34.3 | 0 | 0 | 0 | 115.1 | Y466 D486 K489 I490 | Y466-P468 HydrophobicContact CE1-CB 4.14Å; P468-D486 HydrophobicContact CG-CB 4.14Å; P468-K489 HydrophobicContact CB-CB 3.85Å; P468-K489 HydrophobicContact CB-CD 4.2Å; P468-K489 HydrophobicContact CG-CB 4.06Å; P468-I490 HydrophobicContact CG-CG1 4.05Å | ||
| 469 | V | 85.8 | Confident | 89.7 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 29% | 0.285 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -113.6 | 120.7 | -173 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | H467 V472 I481 | H467-V469 PolarHBondContact CD2-O 2.88Å; H467-V469 PolarHBondContact NE2-O 3.33Å; V469-V472 HydrophobicContact CB-CG2 4.27Å; V469-V472 HydrophobicContact CG1-CG2 4.11Å; V469-I481 HydrophobicContact CB-CD1 3.95Å; V469-I481 HydrophobicContact CG1-CD1 4.46Å; V469-I481 HydrophobicContact CG2-CD1 4.02Å; V469-I481 HydrophobicContact CG2-CG1 4.42Å |
| 470 | P | 81.4 | Confident | 89.6 | Confident | 102 Ų | 102 | 55.1 Ų | 55.1 | 66% | 0.662 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -69.9 | 161.9 | 174.5 | 29.5 | -33.5 | 0 | 0 | 0 | 111.5 | V472 | P470-V472 PolarHBondContact O-N 2.84Š|
| 471 | D | 81.3 | Confident | 89.5 | Confident | 154 Ų | 154 | 55.7 Ų | 55.7 | 82% | 0.824 | 29% | 0.29 | S | S | * | . | trans | 64.3 | 32.8 | 166.9 | -49.1 | -43 | 0 | 0 | 0 | 116.7 | ||||
| 472 | V | 85.1 | Confident | 89.4 | Confident | 17 Ų | 17 | 57 Ų | 57 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | trans | -81.6 | 122.2 | 170.2 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | H279 H467 V469 P470 E477 A478 I481 | H279-V472 PolarHBondContact CE1-O 3.45Å; H279-V472 VanDerWaalsContact CE1-O 3.31Å; H467-V472 WeakPolarHBondContact NE2-CG2 3.37Å; V469-V472 HydrophobicContact CB-CG2 4.27Å; V469-V472 HydrophobicContact CG1-CG2 4.11Å; P470-V472 PolarHBondContact O-N 2.84Å; V472-E477 HydrophobicContact CG1-CB 3.79Å; V472-A478 HydrophobicContact CG1-CB 3.86Å; V472-I481 HydrophobicContact CG2-CD1 3.65Å | ||
| 473 | E | 85.6 | Confident | 89.2 | Confident | 131 Ų | 131 | 59.5 Ų | 59.5 | 61% | 0.612 | 31% | 0.312 | S | S | * | . | trans | -107.4 | -34.4 | -175 | -65.4 | -167.1 | 166.7 | 0 | 0 | 113.5 | E477 | E473-E477 PolarHBondContact N-OE2 3.27Š| ||
| 474 | T | 89 | Confident | 89 | Confident | 54 Ų | 54 | 61.2 Ų | 61.2 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -109.8 | 156.6 | -172.7 | 65.1 | 0 | 0 | 0 | 0 | 112.9 | E476 E477 A478 | T474-E476 PolarHBondContact O-N 3.09Å; T474-E477 PolarHBondContact N-OE2 3.09Å; T474-E477 PolarHBondContact O-N 2.8Å; T474-E477 WeakPolarHBondContact OG1-CB 3.39Å; T474-E477 WeakPolarHBondContact OG1-CG 3.32Å; T474-E477 PolarHBondContact OG1-N 2.75Å; T474-E477 PolarHBondContact OG1-OE2 2.93Å; T474-A478 PolarHBondContact O-N 2.89Å |
| 475 | I | 88.5 | Confident | 88.6 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 16% | 0.164 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.2 | -38 | 175.5 | -66.9 | 173.4 | 0 | 0 | 0 | 109.9 | I276 I280 A323 A478 E479 | I276-I475 HydrophobicContact CG2-CG2 3.76Å; I280-I475 HydrophobicContact CD1-CD1 3.91Å; I280-I475 HydrophobicContact CG1-CD1 3.85Å; I280-I475 HydrophobicContact CG1-CG1 4.12Å; A323-I475 HydrophobicContact CB-CD1 4.03Å; I475-A478 PolarHBondContact O-N 3.48Å; I475-E479 VanDerWaalsContact O-CB 3.31Å; I475-E479 WeakPolarHBondContact O-CB 3.28Å; I475-E479 PolarHBondContact O-N 3.4Å |
| 476 | E | 89.7 | Confident | 88.4 | Confident | 136 Ų | 136 | 71.6 Ų | 71.6 | 64% | 0.636 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.2 | -40.6 | 179.2 | -65.2 | 72.5 | -161.5 | 0 | 0 | 111.7 | T474 A480 | T474-E476 PolarHBondContact O-N 3.09Å; E476-A480 VanDerWaalsContact O-CB 3.3Å; E476-A480 WeakPolarHBondContact O-CB 3.32Å; E476-A480 PolarHBondContact O-N 3.29Å |
| 477 | E | 90 | Very high | 88.3 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 172.8 | -72.8 | 162 | 167.4 | 0 | 0 | 111.6 | V472 E473 T474 E479 A480 I481 | V472-E477 HydrophobicContact CG1-CB 3.79Å; E473-E477 PolarHBondContact N-OE2 3.27Å; T474-E477 PolarHBondContact N-OE2 3.09Å; T474-E477 PolarHBondContact O-N 2.8Å; T474-E477 WeakPolarHBondContact OG1-CB 3.39Å; T474-E477 WeakPolarHBondContact OG1-CG 3.32Å; T474-E477 PolarHBondContact OG1-N 2.75Å; T474-E477 PolarHBondContact OG1-OE2 2.93Å; E477-E479 VanDerWaalsContact C-N 3.31Å; E477-E479 PolarHBondContact O-N 2.98Å; E477-A480 PolarHBondContact O-N 3.24Å; E477-I481 WeakPolarHBondContact O-CG1 3.32Å; E477-I481 PolarHBondContact O-N 3.4Å |
| 478 | A | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I276 H279 V472 T474 I475 | I276-A478 HydrophobicContact CD1-CB 4.24Å; H279-A478 HydrophobicContact CB-CB 4.31Å; V472-A478 HydrophobicContact CG1-CB 3.86Å; T474-A478 PolarHBondContact O-N 2.89Å; I475-A478 PolarHBondContact O-N 3.48Å |
| 479 | E | 91.8 | Very high | 88.7 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 22% | 0.215 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.5 | -38.9 | 175.8 | -172.3 | 169.7 | 169.2 | 0 | 0 | 111.8 | I276 F328 R373 I475 E477 I481 L482 | I276-E479 HydrophobicContact CD1-CB 3.99Å; F328-E479 HydrophobicContact CZ-CG 4.49Å; R373-E479 WeakPolarHBondContact CD-OE1 3.47Å; R373-E479 IonicContact CZ-OE1 3.63Å; R373-E479 IonicContact CZ-OE2 3.64Å; R373-E479 VanDerWaalsContact CZ-OE2 3.32Å; R373-E479 VanDerWaalsContact NE-CD 3.34Å; R373-E479 IonicContact NE-OE1 3.8Å; R373-E479 PolarHBondContact NE-OE1 3.18Å; R373-E479 IonicContact NE-OE2 3.59Å; R373-E479 PolarHBondContact NE-OE2 2.79Å; R373-E479 IonicContact NH2-OE1 3.38Å; R373-E479 IonicContact NH2-OE2 2.73Å; R373-E479 PolarHBondContact NH2-OE2 3.34Å; I475-E479 VanDerWaalsContact O-CB 3.31Å; I475-E479 WeakPolarHBondContact O-CB 3.28Å; I475-E479 PolarHBondContact O-N 3.4Å; E477-E479 VanDerWaalsContact C-N 3.31Å; E477-E479 PolarHBondContact O-N 2.98Å; E479-I481 PolarHBondContact O-N 3.41Å; E479-L482 HydrophobicContact CG-CD1 4.28Å; E479-L482 WeakPolarHBondContact O-CB 3.32Å; E479-L482 WeakPolarHBondContact O-CG 3.26Å; E479-L482 PolarHBondContact O-N 2.97Å |
| 480 | A | 90.9 | Very high | 89.2 | Confident | 52 Ų | 52 | 66.7 Ų | 66.7 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.1 | -31.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E476 E477 L482 E483 | E476-A480 VanDerWaalsContact O-CB 3.3Å; E476-A480 WeakPolarHBondContact O-CB 3.32Å; E476-A480 PolarHBondContact O-N 3.29Å; E477-A480 PolarHBondContact O-N 3.24Å; A480-L482 PolarHBondContact O-N 3.29Å; A480-E483 PolarHBondContact O-N 3.33Å; A480-E483 VanDerWaalsContact O-N 3.1Å |
| 481 | I | 91.4 | Very high | 89.9 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -61.6 | -30.3 | 175.9 | -63.7 | 166.2 | 0 | 0 | 0 | 111.6 | V469 V472 E477 E479 E483 T484 D486 I490 | V469-I481 HydrophobicContact CB-CD1 3.95Å; V469-I481 HydrophobicContact CG1-CD1 4.46Å; V469-I481 HydrophobicContact CG2-CD1 4.02Å; V469-I481 HydrophobicContact CG2-CG1 4.42Å; V472-I481 HydrophobicContact CG2-CD1 3.65Å; E477-I481 WeakPolarHBondContact O-CG1 3.32Å; E477-I481 PolarHBondContact O-N 3.4Å; E479-I481 PolarHBondContact O-N 3.41Å; I481-E483 PolarHBondContact O-N 2.93Å; I481-E483 VanDerWaalsContact O-N 3.12Å; I481-T484 WeakPolarHBondContact O-CB 3.22Å; I481-T484 PolarHBondContact O-N 2.9Å; I481-T484 PolarHBondContact O-OG1 3.5Å; I481-D486 HydrophobicContact CG2-CB 4.45Å; I481-I490 HydrophobicContact CG2-CD1 3.81Å |
| 482 | L | 89.9 | Confident | 90.6 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 18% | 0.183 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -61.2 | -21 | 177.7 | -57 | 178.9 | 0 | 0 | 0 | 112.7 | V265 A272 Y275 I276 F328 E479 A480 A487 I490 | V265-L482 HydrophobicContact CB-CD2 4.11Å; V265-L482 HydrophobicContact CG1-CD2 4.35Å; V265-L482 HydrophobicContact CG2-CD2 3.65Å; A272-L482 HydrophobicContact CB-CD1 4.13Å; Y275-L482 HydrophobicContact CD1-CD2 3.89Å; Y275-L482 HydrophobicContact CE1-CD2 4.01Å; I276-L482 HydrophobicContact CD1-CD1 4.31Å; F328-L482 HydrophobicContact CE1-CD1 4.36Å; E479-L482 HydrophobicContact CG-CD1 4.28Å; E479-L482 WeakPolarHBondContact O-CB 3.32Å; E479-L482 WeakPolarHBondContact O-CG 3.26Å; E479-L482 PolarHBondContact O-N 2.97Å; A480-L482 PolarHBondContact O-N 3.29Å; L482-A487 WeakPolarHBondContact O-CB 3.39Å; L482-I490 HydrophobicContact CD2-CD1 3.96Å |
| 483 | E | 86.6 | Confident | 91.1 | Very high | 147 Ų | 147 | 53.9 Ų | 53.9 | 69% | 0.687 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -94.7 | -3.8 | 176.8 | -54.9 | -162.6 | 149.7 | 0 | 0 | 113.4 | A480 I481 | A480-E483 PolarHBondContact O-N 3.33Å; A480-E483 VanDerWaalsContact O-N 3.1Å; I481-E483 PolarHBondContact O-N 2.93Å; I481-E483 VanDerWaalsContact O-N 3.12Å |
| 484 | T | 90.4 | Very high | 91.5 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 39% | 0.387 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -93.9 | 167.3 | 179.6 | 74.1 | 0 | 0 | 0 | 0 | 112 | I481 D486 A487 | I481-T484 WeakPolarHBondContact O-CB 3.22Å; I481-T484 PolarHBondContact O-N 2.9Å; I481-T484 PolarHBondContact O-OG1 3.5Å; T484-D486 PolarHBondContact O-N 3.35Å; T484-D486 PolarHBondContact OG1-N 2.91Å; T484-A487 VanDerWaalsContact O-CB 3.3Å; T484-A487 WeakPolarHBondContact O-CB 3.35Å; T484-A487 PolarHBondContact O-N 2.86Å |
| 485 | K | 87.1 | Confident | 91.6 | Very high | 188 Ų | 188 | 45.1 Ų | 45.1 | 82% | 0.817 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -61.2 | -19.3 | 170.5 | 65.4 | -178.6 | 179.9 | -180 | 0 | 113.6 | A487 | K485-A487 VanDerWaalsContact C-N 3.29Š|
| 486 | D | 90.9 | Very high | 91.3 | Very high | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.193 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -82.5 | -8.3 | -179.9 | -65.4 | -61.8 | 0 | 0 | 0 | 112.6 | P468 I481 T484 A488 K489 | P468-D486 HydrophobicContact CG-CB 4.14Å; I481-D486 HydrophobicContact CG2-CB 4.45Å; T484-D486 PolarHBondContact O-N 3.35Å; T484-D486 PolarHBondContact OG1-N 2.91Å; D486-A488 PolarHBondContact O-N 3.01Å; D486-K489 WeakPolarHBondContact O-CB 3.04Å; D486-K489 PolarHBondContact O-N 3.11Å; D486-K489 IonicContact OD1-NZ 3.92Å; D486-K489 PolarHBondContact OD1-NZ 2.87Å |
| 487 | A | 92 | Very high | 91 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -53.2 | -40.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | V265 V266 L482 T484 K485 K489 I490 | V265-A487 HydrophobicContact CG2-CB 4.22Å; V265-A487 WeakPolarHBondContact CG2-O 3.39Å; V266-A487 HydrophobicContact CG2-CB 3.62Å; L482-A487 WeakPolarHBondContact O-CB 3.39Å; T484-A487 VanDerWaalsContact O-CB 3.3Å; T484-A487 WeakPolarHBondContact O-CB 3.35Å; T484-A487 PolarHBondContact O-N 2.86Å; K485-A487 VanDerWaalsContact C-N 3.29Å; A487-K489 PolarHBondContact O-N 2.7Å; A487-K489 VanDerWaalsContact O-N 3.16Å; A487-I490 PolarHBondContact O-N 3.04Å; A487-I490 VanDerWaalsContact O-N 3.08Å |
| 488 | A | 92.6 | Very high | 90.4 | Very high | 26 Ų | 26 | 43.2 Ų | 43.2 | 22% | 0.215 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -63.6 | -21.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P259 N264 V266 D486 | P259-A488 HydrophobicContact CB-CB 4.13Å; P259-A488 VanDerWaalsContact CB-O 3.3Å; P259-A488 WeakPolarHBondContact CB-O 3.47Å; P259-A488 HydrophobicContact CG-CB 4.04Å; N264-A488 VanDerWaalsContact CB-O 3.29Å; N264-A488 WeakPolarHBondContact CB-O 3.32Å; N264-A488 PolarHBondContact ND2-O 2.76Å; V266-A488 HydrophobicContact CG2-CB 4.18Å; D486-A488 PolarHBondContact O-N 3.01Å |
| 489 | K | 93.5 | Very high | 89.5 | Confident | 73 Ų | 73 | 50.8 Ų | 50.8 | 32% | 0.317 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -86.7 | -7.4 | 178.2 | -59.7 | 177 | -174.9 | 159.5 | 0 | 113.2 | Y466 P468 D486 A487 M491 | Y466-K489 WeakPolarHBondContact CD1-O 3.31Å; P468-K489 HydrophobicContact CB-CB 3.85Å; P468-K489 HydrophobicContact CB-CD 4.2Å; P468-K489 HydrophobicContact CG-CB 4.06Å; D486-K489 WeakPolarHBondContact O-CB 3.04Å; D486-K489 PolarHBondContact O-N 3.11Å; D486-K489 IonicContact OD1-NZ 3.92Å; D486-K489 PolarHBondContact OD1-NZ 2.87Å; A487-K489 PolarHBondContact O-N 2.7Å; A487-K489 VanDerWaalsContact O-N 3.16Å; K489-M491 VanDerWaalsContact C-N 3.34Å; K489-M491 PolarHBondContact O-N 3.18Å |
| 490 | I | 95.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -75.9 | 90.4 | 172.2 | -58.5 | 168.2 | 0 | 0 | 0 | 108 | N264 V265 Y275 F465 Y466 P468 I481 L482 A487 | N264-I490 WeakPolarHBondContact CA-O 3.15Å; N264-I490 WeakPolarHBondContact CB-O 3.46Å; V265-I490 HydrophobicContact CG1-CB 4.16Å; V265-I490 HydrophobicContact CG1-CG2 3.75Å; V265-I490 HydrophobicContact CG2-CB 3.94Å; V265-I490 HydrophobicContact CG2-CD1 4.05Å; V265-I490 HydrophobicContact CG2-CG2 4.42Å; V265-I490 PolarHBondContact N-O 2.88Å; Y275-I490 HydrophobicContact CD1-CD1 4.27Å; Y275-I490 HydrophobicContact CD1-CG2 4.34Å; Y275-I490 HydrophobicContact CD2-CG2 3.32Å; Y275-I490 HydrophobicContact CE1-CD1 3.73Å; Y275-I490 HydrophobicContact CE2-CD1 4.11Å; Y275-I490 HydrophobicContact CE2-CG1 4.33Å; Y275-I490 HydrophobicContact CE2-CG2 3.59Å; Y275-I490 HydrophobicContact CG-CG2 3.71Å; F465-I490 HydrophobicContact CB-CG2 4.17Å; F465-I490 HydrophobicContact CD1-CG2 4.1Å; F465-I490 HydrophobicContact CG-CG2 4.39Å; Y466-I490 WeakPolarHBondContact O-CA 3.49Å; P468-I490 HydrophobicContact CG-CG1 4.05Å; I481-I490 HydrophobicContact CG2-CD1 3.81Å; L482-I490 HydrophobicContact CD2-CD1 3.96Å; A487-I490 PolarHBondContact O-N 3.04Å; A487-I490 VanDerWaalsContact O-N 3.08Å | ||
| 491 | M | 96.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135.4 | -171.2 | -64.4 | 176.2 | -75.4 | 0 | 0 | 111.6 | V255 H256 A262 Y263 N264 F465 Y466 K489 V526 | V255-M491 HydrophobicContact CG1-CE 4.16Å; V255-M491 HydrophobicContact CG1-SD 4.08Å; V255-M491 HydrophobicContact CG2-SD 4.08Å; H256-M491 VanDerWaalsContact CE1-CE 3.48Å; H256-M491 WeakPolarHBondContact CE1-CE 3.46Å; A262-M491 HydrophobicContact CB-CB 4.09Å; A262-M491 HydrophobicContact CB-CG 3.76Å; A262-M491 HydrophobicContact CB-SD 3.65Å; Y263-M491 CarbonylContact O-C 3.58Å; Y263-M491 WeakPolarHBondContact O-CA 3.28Å; N264-M491 HydrophobicContact CB-CG 4.36Å; F465-M491 CarbonylContact C-O 3.5Å; F465-M491 VanDerWaalsContact CA-O 3.22Å; F465-M491 WeakPolarHBondContact CA-O 3.25Å; Y466-M491 HydrophobicContact CD1-CE 3.97Å; Y466-M491 HydrophobicContact CG-CE 4.16Å; Y466-M491 PolarHBondContact N-O 3.31Å; K489-M491 VanDerWaalsContact C-N 3.34Å; K489-M491 PolarHBondContact O-N 3.18Å; M491-V526 HydrophobicContact CB-CB 4.49Å; M491-V526 HydrophobicContact CB-CG1 3.98Å; M491-V526 HydrophobicContact CE-CG1 4.37Å; M491-V526 HydrophobicContact SD-CG1 4.39Å |
| 492 | A | 96.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 136.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y263 L271 F465 Y514 K527 | Y263-A492 PolarHBondContact O-N 3.24Å; L271-A492 HydrophobicContact CD1-CB 4.11Å; F465-A492 HydrophobicContact CD1-CB 4.05Å; F465-A492 HydrophobicContact CE1-CB 3.77Å; A492-Y514 HydrophobicContact CB-CD1 4.45Å; A492-Y514 HydrophobicContact CB-CE1 3.74Å; A492-K527 PolarHBondContact O-N 3.28Å |
| 493 | F | 96.1 | Very high | 87.2 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 150.6 | 173.4 | -65.5 | -29.1 | 0 | 0 | 0 | 112 | N250 T463 Y464 Y514 V521 G523 S525 V526 | N250-F493 HydrophobicContact CB-CE1 3.95Å; T463-F493 VanDerWaalsContact O-CD2 3.3Å; T463-F493 WeakPolarHBondContact O-CD2 3.17Å; Y464-F493 WeakPolarHBondContact O-CB 3.39Å; Y464-F493 PolarHBondContact O-N 3.02Å; F493-Y514 WeakPolarHBondContact O-CE1 3.42Å; F493-Y514 PolarHBondContact O-OH 3.48Å; F493-V521 HydrophobicContact CB-CG2 3.48Å; F493-V521 VanDerWaalsContact CB-CG2 3.48Å; F493-V521 HydrophobicContact CD2-CG2 4.02Å; F493-V521 HydrophobicContact CG-CG2 4.26Å; F493-G523 WeakPolarHBondContact CE2-O 3.44Å; F493-G523 VanDerWaalsContact CZ-O 3.29Å; F493-G523 WeakPolarHBondContact CZ-O 3.31Å; F493-S525 CarbonylContact C-O 3.58Å; F493-S525 VanDerWaalsContact CA-O 3.26Å; F493-S525 WeakPolarHBondContact CA-O 3.21Å; F493-S525 WeakPolarHBondContact CB-O 3.36Å; F493-V526 HydrophobicContact CD1-CG1 3.9Å; F493-V526 HydrophobicContact CE1-CG1 3.98Å |
| 494 | N | 93.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 172.7 | 173.5 | -168.9 | 40.2 | 0 | 0 | 0 | 110.7 | N246 H247 F506 W522 S525 K527 | N246-N494 PolarHBondContact OD1-ND2 2.86Å; H247-N494 HydrophobicContact CB-CB 3.77Å; H247-N494 PolarHBondContact ND1-ND2 2.8Å; N494-F506 WeakPolarHBondContact OD1-CZ 3.46Å; N494-W522 PolarHBondContact O-N 3.31Å; N494-S525 PolarHBondContact N-O 3.23Å; N494-K527 HydrophobicContact CB-CB 4.08Å; N494-K527 HydrophobicContact CB-CD 3.99Å; N494-K527 WeakPolarHBondContact OD1-CD 3.45Å; N494-K527 PolarHBondContact OD1-NZ 2.87Å |
| 495 | G | 90.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | -158.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I520 | G495-I520 WeakPolarHBondContact CA-O 3.31Å |
| 496 | W | 83.1 | Confident | 86.7 | Confident | 93 Ų | 93 | 43.3 Ų | 43.3 | 35% | 0.352 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 141 | 179.3 | 178.9 | 62.3 | 0 | 0 | 0 | 111.7 | M498 I520 H564 | W496-M498 HydrophobicContact CE3-SD 4.06Å; W496-M498 HydrophobicContact CH2-CE 4.18Å; W496-M498 HydrophobicContact CH2-CG 4.26Å; W496-M498 HydrophobicContact CH2-SD 2.97Å; W496-M498 WeakPolarHBondContact CH2-SD 3.25Å; W496-M498 HydrophobicContact CZ2-SD 3.82Å; W496-M498 HydrophobicContact CZ3-CG 4.12Å; W496-M498 HydrophobicContact CZ3-SD 3.1Å; W496-M498 WeakPolarHBondContact CZ3-SD 3.49Å; W496-I520 HydrophobicContact CE3-CD1 3.85Å; W496-I520 HydrophobicContact CZ3-CD1 4.09Å; W496-I520 PolarHBondContact N-O 2.91Å; W496-I520 WeakPolarHBondContact O-CB 3.41Å; W496-I520 PolarHBondContact O-N 2.65Å; W496-H564 AromaticContact CD1-NE2 3.43Å; W496-H564 AromaticContact NE1-NE2 3.81Å |
| 497 | V | 83.7 | Confident | 86.6 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125.1 | 178.6 | -171.5 | 0 | 0 | 0 | 0 | 108.2 | N499 D500 F506 V513 L519 | V497-N499 PolarHBondContact O-N 3.48Å; V497-D500 HydrophobicContact CB-CB 3.82Å; V497-D500 HydrophobicContact CG1-CB 3.75Å; V497-F506 HydrophobicContact CG2-CB 4.36Å; V497-F506 HydrophobicContact CG2-CD1 3.91Å; V497-F506 HydrophobicContact CG2-CD2 4.47Å; V497-F506 HydrophobicContact CG2-CE1 4.26Å; V497-F506 HydrophobicContact CG2-CG 4.02Å; V497-V513 HydrophobicContact CG1-CG2 4.29Å; V497-V513 HydrophobicContact CG2-CG1 3.71Å; V497-V513 HydrophobicContact CG2-CG2 4.37Å; V497-L519 HydrophobicContact CG2-CD1 3.67Å |
| 498 | M | 76.6 | Confident | 86.5 | Confident | 112 Ų | 112 | 44.8 Ų | 44.8 | 55% | 0.552 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 126.9 | 178.3 | -69.2 | -74.8 | -60.6 | 0 | 0 | 110.5 | W496 D500 | W496-M498 HydrophobicContact CE3-SD 4.06Å; W496-M498 HydrophobicContact CH2-CE 4.18Å; W496-M498 HydrophobicContact CH2-CG 4.26Å; W496-M498 HydrophobicContact CH2-SD 2.97Å; W496-M498 WeakPolarHBondContact CH2-SD 3.25Å; W496-M498 HydrophobicContact CZ2-SD 3.82Å; W496-M498 HydrophobicContact CZ3-CG 4.12Å; W496-M498 HydrophobicContact CZ3-SD 3.1Å; W496-M498 WeakPolarHBondContact CZ3-SD 3.49Å; M498-D500 VanDerWaalsContact C-N 3.26Å; M498-D500 PolarHBondContact O-N 3.2Å |
| 499 | N | 70.5 | Confident | 86.1 | Confident | 160 Ų | 160 | 48.1 Ų | 48.1 | 86% | 0.856 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 29.1 | 173.3 | -57.9 | -33.4 | 0 | 0 | 0 | 115.6 | V497 | V497-N499 PolarHBondContact O-N 3.48Š|
| 500 | D | 77.2 | Confident | 85.6 | Confident | 65 Ų | 65 | 49 Ų | 49 | 35% | 0.348 | 26% | 0.257 | S | S | . | . | trans | -78.3 | 162.8 | 175.9 | -159.6 | 9.9 | 0 | 0 | 0 | 112.3 | V497 M498 P502 | V497-D500 HydrophobicContact CB-CB 3.82Å; V497-D500 HydrophobicContact CG1-CB 3.75Å; M498-D500 VanDerWaalsContact C-N 3.26Å; M498-D500 PolarHBondContact O-N 3.2Å; D500-P502 VanDerWaalsContact O-CD 3.24Å; D500-P502 WeakPolarHBondContact O-CD 3.39Å | ||
| 501 | D | 79.2 | Confident | 85.3 | Confident | 60 Ų | 60 | 50.2 Ų | 50.2 | 32% | 0.321 | 27% | 0.266 | S | S | . | . | trans | -75 | 109 | 172.5 | -179.4 | -0.6 | 0 | 0 | 0 | 109.8 | L503 K504 | D501-L503 PolarHBondContact O-N 2.83Å; D501-L503 VanDerWaalsContact O-N 3.09Å; D501-L503 WeakPolarHBondContact OD1-CB 3.09Å; D501-L503 PolarHBondContact OD1-N 2.81Å; D501-K504 HydrophobicContact CB-CB 4.47Å; D501-K504 HydrophobicContact CB-CD 4.38Å; D501-K504 HydrophobicContact CB-CG 4.44Å; D501-K504 PolarHBondContact O-N 3.47Å; D501-K504 WeakPolarHBondContact OD2-CE 3.39Å | ||
| 502 | P | 79.7 | Confident | 85.2 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -12.1 | -177.1 | 32.6 | -39 | 0 | 0 | 0 | 112.9 | D500 K504 H564 T593 V598 F602 | D500-P502 VanDerWaalsContact O-CD 3.24Å; D500-P502 WeakPolarHBondContact O-CD 3.39Å; P502-K504 VanDerWaalsContact C-N 3.3Å; P502-H564 HydrophobicContact CB-CB 3.88Å; P502-T593 HydrophobicContact CB-CG2 4.22Å; P502-T593 HydrophobicContact CG-CG2 3.73Å; P502-V598 HydrophobicContact CG-CG1 3.83Å; P502-F602 HydrophobicContact CB-CE2 4.18Å; P502-F602 HydrophobicContact CB-CZ 4.18Å; P502-F602 HydrophobicContact CG-CE2 4.27Å; P502-F602 WeakPolarHBondContact O-CZ 3.49Å |
| 503 | L | 79.9 | Confident | 85.1 | Confident | 84 Ų | 84 | 52.9 Ų | 52.9 | 44% | 0.44 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -10.7 | 175 | -61.5 | 175 | 0 | 0 | 0 | 112.6 | D501 V598 I601 F602 | D501-L503 PolarHBondContact O-N 2.83Å; D501-L503 VanDerWaalsContact O-N 3.09Å; D501-L503 WeakPolarHBondContact OD1-CB 3.09Å; D501-L503 PolarHBondContact OD1-N 2.81Å; L503-V598 HydrophobicContact CD1-CG1 4.42Å; L503-V598 HydrophobicContact CD2-CG1 4.49Å; L503-V598 HydrophobicContact CG-CG1 4.25Å; L503-I601 HydrophobicContact CD1-CD1 4.41Å; L503-I601 HydrophobicContact CD2-CG2 4.35Å; L503-F602 HydrophobicContact CD2-CD2 4.31Å; L503-F602 HydrophobicContact CD2-CE2 3.59Å; L503-F602 HydrophobicContact CD2-CZ 4.15Å; L503-F602 HydrophobicContact CG-CE2 4.43Å |
| 504 | K | 80.9 | Confident | 85.1 | Confident | 133 Ų | 133 | 52.8 Ų | 52.8 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -111.9 | 140.1 | 178.6 | -66.6 | -179.7 | -174.4 | 173.6 | 0 | 110.5 | D501 P502 F506 | D501-K504 HydrophobicContact CB-CB 4.47Å; D501-K504 HydrophobicContact CB-CD 4.38Å; D501-K504 HydrophobicContact CB-CG 4.44Å; D501-K504 PolarHBondContact O-N 3.47Å; D501-K504 WeakPolarHBondContact OD2-CE 3.39Å; P502-K504 VanDerWaalsContact C-N 3.3Å; K504-F506 PolarHBondContact O-N 2.94Å |
| 505 | N | 83 | Confident | 85.2 | Confident | 14 Ų | 14 | 53 Ų | 53 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | trans | -85.7 | 115.6 | 173.9 | -179.1 | -5.4 | 0 | 0 | 0 | 109.8 | Y263 A507 E508 | Y263-N505 PolarHBondContact OH-ND2 3.38Å; N505-A507 PolarHBondContact O-N 3.22Å; N505-A507 WeakPolarHBondContact OD1-CB 3.25Å; N505-A507 PolarHBondContact OD1-N 3.43Å; N505-E508 HydrophobicContact CB-CG 3.9Å; N505-E508 WeakPolarHBondContact O-CB 3.31Å; N505-E508 PolarHBondContact O-N 2.98Å | ||
| 506 | F | 89.2 | Confident | 85.5 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 5% | 0.053 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -6.3 | -179.8 | 61 | -105.9 | 0 | 0 | 0 | 115.2 | N494 V497 K504 S511 V513 Y514 L519 K527 | N494-F506 WeakPolarHBondContact OD1-CZ 3.46Å; V497-F506 HydrophobicContact CG2-CB 4.36Å; V497-F506 HydrophobicContact CG2-CD1 3.91Å; V497-F506 HydrophobicContact CG2-CD2 4.47Å; V497-F506 HydrophobicContact CG2-CE1 4.26Å; V497-F506 HydrophobicContact CG2-CG 4.02Å; K504-F506 PolarHBondContact O-N 2.94Å; F506-S511 WeakPolarHBondContact CA-OG 3.31Å; F506-S511 WeakPolarHBondContact O-CB 3.29Å; F506-S511 PolarHBondContact O-OG 2.8Å; F506-V513 HydrophobicContact CB-CB 4.12Å; F506-V513 HydrophobicContact CB-CG1 4.35Å; F506-V513 HydrophobicContact CB-CG2 3.86Å; F506-V513 HydrophobicContact CD2-CG1 4.32Å; F506-Y514 AromaticContact CD2-CE2 3.93Å; F506-Y514 HydrophobicContact CD2-CE2 3.93Å; F506-Y514 HydrophobicContact CE2-CE2 4.18Å; F506-L519 HydrophobicContact CD2-CD1 4.38Å; F506-L519 HydrophobicContact CE2-CD1 3.77Å; F506-L519 HydrophobicContact CZ-CD1 3.86Å; F506-K527 HydrophobicContact CE2-CD 4.23Å; F506-K527 HydrophobicContact CZ-CD 4.13Å |
| 507 | A | 90.4 | Very high | 86 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -6.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y263 H270 N505 Y514 K527 | Y263-A507 HydrophobicContact CD1-CB 3.68Å; Y263-A507 HydrophobicContact CD2-CB 3.92Å; Y263-A507 HydrophobicContact CE1-CB 3.74Å; Y263-A507 HydrophobicContact CE2-CB 3.96Å; Y263-A507 HydrophobicContact CG-CB 3.8Å; H270-A507 PolarHBondContact CE1-O 2.9Å; H270-A507 PolarHBondContact NE2-O 3.24Å; N505-A507 PolarHBondContact O-N 3.22Å; N505-A507 WeakPolarHBondContact OD1-CB 3.25Å; N505-A507 PolarHBondContact OD1-N 3.43Å; A507-Y514 HydrophobicContact CB-CE2 3.93Å; A507-K527 HydrophobicContact CB-CG 4.39Å |
| 508 | E | 88.1 | Confident | 86.5 | Confident | 70 Ų | 70 | 54.4 Ų | 54.4 | 33% | 0.327 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -71.4 | 159.8 | 179.8 | -78.6 | 175.3 | -166.8 | 0 | 0 | 113.4 | H270 N505 S510 S511 | H270-E508 PolarHBondContact NE2-O 2.77Å; N505-E508 HydrophobicContact CB-CG 3.9Å; N505-E508 WeakPolarHBondContact O-CB 3.31Å; N505-E508 PolarHBondContact O-N 2.98Å; E508-S510 PolarHBondContact O-N 3.5Å; E508-S511 WeakPolarHBondContact O-CB 3.46Å; E508-S511 PolarHBondContact O-N 2.93Å |
| 509 | P | 84.2 | Confident | 87.3 | Confident | 96 Ų | 96 | 49.3 Ų | 49.3 | 62% | 0.623 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.2 | -176.9 | -26.5 | 35.1 | 0 | 0 | 0 | 116.2 | S511 | P509-S511 VanDerWaalsContact C-N 3.31Š|
| 510 | S | 83.7 | Confident | 88.2 | Confident | 91 Ų | 91 | 46 Ų | 46 | 64% | 0.636 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -10.9 | 177 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | E508 | E508-S510 PolarHBondContact O-N 3.5Š|
| 511 | S | 90.1 | Very high | 88.9 | Confident | 26 Ų | 26 | 43.8 Ų | 43.8 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | trans | -97.6 | 138.1 | -178.7 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | F506 E508 P509 V513 | F506-S511 WeakPolarHBondContact CA-OG 3.31Å; F506-S511 WeakPolarHBondContact O-CB 3.29Å; F506-S511 PolarHBondContact O-OG 2.8Å; E508-S511 WeakPolarHBondContact O-CB 3.46Å; E508-S511 PolarHBondContact O-N 2.93Å; P509-S511 VanDerWaalsContact C-N 3.31Å; S511-V513 WeakPolarHBondContact OG-CG2 3.25Å; S511-V513 PolarHBondContact OG-N 3.29Å | ||
| 512 | F | 93.4 | Very high | 89.4 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 21% | 0.211 | 23% | 0.23 | C | C | . | . | trans | -107.9 | 11 | 174 | -66.3 | -81 | 0 | 0 | 0 | 113.1 | F329 E423 I424 H427 Y514 L515 R516 | F329-F512 HydrophobicContact CE1-CE1 4.01Å; F329-F512 HydrophobicContact CZ-CE1 4.45Å; E423-F512 WeakPolarHBondContact OE1-CZ 3.44Å; I424-F512 HydrophobicContact CD1-CE1 3.86Å; I424-F512 HydrophobicContact CD1-CZ 4.46Å; H427-F512 AromaticContact CD2-CD1 3.8Å; H427-F512 AromaticContact CD2-CD2 3.96Å; H427-F512 AromaticContact CD2-CE1 3.97Å; H427-F512 AromaticContact CD2-CG 3.78Å; H427-F512 AromaticContact CE1-CD2 3.96Å; H427-F512 AromaticContact NE2-CD2 3.45Å; H427-F512 WeakPolarHBondContact NE2-CD2 3.36Å; H427-F512 AromaticContact NE2-CE2 3.6Å; H427-F512 AromaticContact NE2-CG 3.74Å; F512-Y514 VanDerWaalsContact C-N 3.3Å; F512-Y514 PolarHBondContact O-N 2.85Å; F512-L515 HydrophobicContact CD1-CD2 3.88Å; F512-L515 HydrophobicContact CE1-CD2 4.45Å; F512-L515 CarbonylContact O-C 3.44Å; F512-L515 PolarHBondContact O-N 3.28Å; F512-R516 HydrophobicContact CB-CG 3.99Å; F512-R516 WeakPolarHBondContact O-CB 3.18Å; F512-R516 WeakPolarHBondContact O-CG 3.34Å; F512-R516 PolarHBondContact O-N 2.87Å | ||
| 513 | V | 94.4 | Very high | 89.8 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -52.8 | -44.4 | -175.5 | 164.8 | 0 | 0 | 0 | 0 | 112.8 | V497 F506 S511 R517 E518 L519 | V497-V513 HydrophobicContact CG1-CG2 4.29Å; V497-V513 HydrophobicContact CG2-CG1 3.71Å; V497-V513 HydrophobicContact CG2-CG2 4.37Å; F506-V513 HydrophobicContact CB-CB 4.12Å; F506-V513 HydrophobicContact CB-CG1 4.35Å; F506-V513 HydrophobicContact CB-CG2 3.86Å; F506-V513 HydrophobicContact CD2-CG1 4.32Å; S511-V513 WeakPolarHBondContact OG-CG2 3.25Å; S511-V513 PolarHBondContact OG-N 3.29Å; V513-R517 PolarHBondContact O-N 3.37Å; V513-E518 HydrophobicContact CG1-CB 4.32Å; V513-E518 PolarHBondContact O-N 3.35Å; V513-E518 VanDerWaalsContact O-N 3.15Å; V513-L519 HydrophobicContact CG1-CB 3.98Å |
| 514 | Y | 95.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.6 | -39.8 | 177.3 | -73.9 | -85.7 | 0 | 0 | 0 | 112.5 | L271 Y464 F465 A492 F493 F506 A507 F512 R517 L519 | L271-Y514 HydrophobicContact CD2-CD2 3.79Å; L271-Y514 HydrophobicContact CD2-CG 4Å; Y464-Y514 AromaticContact CD2-CD1 3.82Å; Y464-Y514 HydrophobicContact CD2-CD1 3.82Å; Y464-Y514 HydrophobicContact CD2-CE1 4.48Å; F465-Y514 HydrophobicContact CE2-CD1 4.36Å; F465-Y514 HydrophobicContact CZ-CD1 4.11Å; A492-Y514 HydrophobicContact CB-CD1 4.45Å; A492-Y514 HydrophobicContact CB-CE1 3.74Å; F493-Y514 WeakPolarHBondContact O-CE1 3.42Å; F493-Y514 PolarHBondContact O-OH 3.48Å; F506-Y514 AromaticContact CD2-CE2 3.93Å; F506-Y514 HydrophobicContact CD2-CE2 3.93Å; F506-Y514 HydrophobicContact CE2-CE2 4.18Å; A507-Y514 HydrophobicContact CB-CE2 3.93Å; F512-Y514 VanDerWaalsContact C-N 3.3Å; F512-Y514 PolarHBondContact O-N 2.85Å; Y514-R517 WeakPolarHBondContact O-CD 3.49Å; Y514-L519 HydrophobicContact CE1-CD2 3.89Å |
| 515 | L | 95.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71 | -39.2 | 178.5 | -173 | 67.8 | 0 | 0 | 0 | 111.5 | P273 A274 L277 F329 I424 H427 L428 A431 F512 R517 | P273-L515 HydrophobicContact CB-CD1 4.46Å; A274-L515 HydrophobicContact CB-CB 4.34Å; A274-L515 HydrophobicContact CB-CD1 4.37Å; L277-L515 HydrophobicContact CD2-CD1 4.16Å; L277-L515 WeakPolarHBondContact CD2-O 3.36Å; F329-L515 HydrophobicContact CE2-CD2 4.1Å; F329-L515 HydrophobicContact CZ-CD2 3.88Å; I424-L515 HydrophobicContact CD1-CD2 4.29Å; H427-L515 HydrophobicContact CB-CD2 4.14Å; L428-L515 HydrophobicContact CD2-CD1 3.99Å; L428-L515 HydrophobicContact CD2-CG 4.34Å; A431-L515 WeakPolarHBondContact CB-O 3.05Å; F512-L515 HydrophobicContact CD1-CD2 3.88Å; F512-L515 HydrophobicContact CE1-CD2 4.45Å; F512-L515 CarbonylContact O-C 3.44Å; F512-L515 PolarHBondContact O-N 3.28Å; L515-R517 VanDerWaalsContact C-N 3.31Å |
| 516 | R | 96 | Very high | 91.5 | Very high | 71 Ų | 71 | 35.4 Ų | 35.4 | 27% | 0.268 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -81.9 | -5.7 | 179.8 | -66.9 | 172 | 63.1 | 109.8 | 8.4 | 113.4 | H427 A430 A431 N434 F512 E518 | H427-R516 HydrophobicContact CB-CG 3.96Å; H427-R516 WeakPolarHBondContact ND1-CD 3.33Å; H427-R516 PolarHBondContact ND1-NH1 3.11Å; A430-R516 HydrophobicContact CB-CB 4.47Å; A430-R516 HydrophobicContact CB-CG 4.33Å; A431-R516 VanDerWaalsContact CA-O 3.26Å; A431-R516 WeakPolarHBondContact CA-O 3.2Å; N434-R516 PolarHBondContact ND2-O 3.43Å; F512-R516 HydrophobicContact CB-CG 3.99Å; F512-R516 WeakPolarHBondContact O-CB 3.18Å; F512-R516 WeakPolarHBondContact O-CG 3.34Å; F512-R516 PolarHBondContact O-N 2.87Å; R516-E518 VanDerWaalsContact C-N 3.28Å; R516-E518 HydrophobicContact CB-CG 3.88Å; R516-E518 WeakPolarHBondContact CD-OE2 3.25Å; R516-E518 IonicContact CZ-OE1 3.46Å; R516-E518 IonicContact NE-OE1 3.77Å; R516-E518 PolarHBondContact NE-OE1 3.5Å; R516-E518 IonicContact NE-OE2 3.52Å; R516-E518 PolarHBondContact NE-OE2 3.45Å; R516-E518 VanDerWaalsContact NE-OE2 3.11Å; R516-E518 IonicContact NH2-OE1 2.71Å; R516-E518 PolarHBondContact NH2-OE1 2.88Å; R516-E518 PolarHBondContact O-N 3.24Å |
| 517 | R | 95.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 38 | 178.6 | -46.1 | -65.3 | -90.2 | 179.3 | -5.7 | 113.2 | L277 D278 A431 N434 V435 M461 Y464 V513 Y514 L515 | L277-R517 HydrophobicContact CD2-CG 4.2Å; D278-R517 IonicContact OD1-CZ 3.55Å; D278-R517 IonicContact OD1-NH1 3.45Å; D278-R517 PolarHBondContact OD1-NH1 3.01Å; D278-R517 IonicContact OD1-NH2 3.82Å; D278-R517 PolarHBondContact OD1-NH2 2.92Å; A431-R517 HydrophobicContact CB-CG 3.87Å; N434-R517 HydrophobicContact CB-CB 4.19Å; N434-R517 VanDerWaalsContact CB-O 3.25Å; N434-R517 WeakPolarHBondContact CB-O 3.32Å; V435-R517 HydrophobicContact CG2-CB 4.44Å; V435-R517 HydrophobicContact CG2-CG 4.26Å; M461-R517 HydrophobicContact CE-CB 3.9Å; M461-R517 HydrophobicContact SD-CB 4.03Å; M461-R517 HydrophobicContact SD-CG 4.44Å; Y464-R517 HydrophobicContact CE2-CB 4.39Å; Y464-R517 WeakPolarHBondContact OH-CA 3.32Å; Y464-R517 PolarHBondContact OH-O 2.77Å; Y464-R517 VanDerWaalsContact OH-O 3.06Å; V513-R517 PolarHBondContact O-N 3.37Å; Y514-R517 WeakPolarHBondContact O-CD 3.49Å; L515-R517 VanDerWaalsContact C-N 3.31Å |
| 518 | E | 93.6 | Very high | 92.1 | Very high | 61 Ų | 61 | 35.1 Ų | 35.1 | 29% | 0.285 | 19% | 0.188 | S | C | . | . | trans | -88.2 | -6.7 | -177.3 | -72.9 | 170.5 | 156.4 | 0 | 0 | 113.4 | N434 V513 R516 | N434-E518 WeakPolarHBondContact ND2-CG 3.09Å; V513-E518 HydrophobicContact CG1-CB 4.32Å; V513-E518 PolarHBondContact O-N 3.35Å; V513-E518 VanDerWaalsContact O-N 3.15Å; R516-E518 VanDerWaalsContact C-N 3.28Å; R516-E518 HydrophobicContact CB-CG 3.88Å; R516-E518 WeakPolarHBondContact CD-OE2 3.25Å; R516-E518 IonicContact CZ-OE1 3.46Å; R516-E518 IonicContact NE-OE1 3.77Å; R516-E518 PolarHBondContact NE-OE1 3.5Å; R516-E518 IonicContact NE-OE2 3.52Å; R516-E518 PolarHBondContact NE-OE2 3.45Å; R516-E518 VanDerWaalsContact NE-OE2 3.11Å; R516-E518 IonicContact NH2-OE1 2.71Å; R516-E518 PolarHBondContact NH2-OE1 2.88Å; R516-E518 PolarHBondContact O-N 3.24Å | ||
| 519 | L | 93 | Very high | 92.4 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.1 | -176.1 | -172.1 | 69.8 | 0 | 0 | 0 | 111.6 | Y464 V497 F506 V513 Y514 V521 | Y464-L519 HydrophobicContact CD2-CB 4.48Å; Y464-L519 HydrophobicContact CE2-CB 3.69Å; Y464-L519 PolarHBondContact OH-N 3.04Å; Y464-L519 VanDerWaalsContact OH-N 3.16Å; Y464-L519 PolarHBondContact OH-O 2.71Å; V497-L519 HydrophobicContact CG2-CD1 3.67Å; F506-L519 HydrophobicContact CD2-CD1 4.38Å; F506-L519 HydrophobicContact CE2-CD1 3.77Å; F506-L519 HydrophobicContact CZ-CD1 3.86Å; V513-L519 HydrophobicContact CG1-CB 3.98Å; Y514-L519 HydrophobicContact CE1-CD2 3.89Å; L519-V521 VanDerWaalsContact C-N 3.31Å; L519-V521 HydrophobicContact CD2-CB 4.21Å; L519-V521 HydrophobicContact CD2-CG2 4.25Å; L519-V521 HydrophobicContact CG-CB 4.38Å; L519-V521 PolarHBondContact O-N 2.9Å |
| 520 | I | 89.2 | Confident | 93 | Very high | 90 Ų | 90 | 29.8 Ų | 29.8 | 46% | 0.462 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 91.8 | 160.4 | -55 | -169.6 | 0 | 0 | 0 | 107.1 | G495 W496 | G495-I520 WeakPolarHBondContact CA-O 3.31Å; W496-I520 HydrophobicContact CE3-CD1 3.85Å; W496-I520 HydrophobicContact CZ3-CD1 4.09Å; W496-I520 PolarHBondContact N-O 2.91Å; W496-I520 WeakPolarHBondContact O-CB 3.41Å; W496-I520 PolarHBondContact O-N 2.65Å |
| 521 | V | 91.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 26.1 Ų | 26.1 | 12% | 0.115 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 141.8 | -168.3 | 65.9 | 0 | 0 | 0 | 0 | 113.4 | W462 Y464 F493 L519 | W462-V521 HydrophobicContact CB-CG1 3.48Å; W462-V521 VanDerWaalsContact CB-CG1 3.48Å; W462-V521 HydrophobicContact CG-CG1 4.45Å; Y464-V521 HydrophobicContact CD1-CB 3.92Å; Y464-V521 HydrophobicContact CD1-CG1 3.86Å; Y464-V521 HydrophobicContact CD1-CG2 4.17Å; Y464-V521 HydrophobicContact CE1-CB 3.86Å; Y464-V521 HydrophobicContact CE1-CG1 3.74Å; F493-V521 HydrophobicContact CB-CG2 3.48Å; F493-V521 VanDerWaalsContact CB-CG2 3.48Å; F493-V521 HydrophobicContact CD2-CG2 4.02Å; F493-V521 HydrophobicContact CG-CG2 4.26Å; L519-V521 VanDerWaalsContact C-N 3.31Å; L519-V521 HydrophobicContact CD2-CB 4.21Å; L519-V521 HydrophobicContact CD2-CG2 4.25Å; L519-V521 HydrophobicContact CG-CB 4.38Å; L519-V521 PolarHBondContact O-N 2.9Å |
| 522 | W | 90 | Very high | 93.3 | Very high | 87 Ų | 87 | 31.1 Ų | 31.1 | 33% | 0.33 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 92.5 | 168.1 | -57.2 | -25.2 | 0 | 0 | 0 | 109.3 | H247 N494 D524 S525 N562 | H247-W522 AromaticContact CE1-CZ3 3.67Å; H247-W522 AromaticContact ND1-CZ3 3.91Å; N494-W522 PolarHBondContact O-N 3.31Å; W522-D524 PolarHBondContact O-N 3.39Å; W522-S525 PolarHBondContact O-N 3.36Å; W522-N562 WeakPolarHBondContact CH2-ND2 3.3Å |
| 523 | G | 87.3 | Confident | 93.1 | Very high | 20 Ų | 20 | 34.6 Ų | 34.6 | 21% | 0.206 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | -12.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N250 F493 | N250-G523 PolarHBondContact ND2-O 3.13Å; F493-G523 WeakPolarHBondContact CE2-O 3.44Å; F493-G523 VanDerWaalsContact CZ-O 3.29Å; F493-G523 WeakPolarHBondContact CZ-O 3.31Å |
| 524 | D | 89.8 | Confident | 93.1 | Very high | 24 Ų | 24 | 37.1 Ų | 37.1 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -2.4 | 174.9 | 67.3 | -16.2 | 0 | 0 | 0 | 113.5 | Y193 S194 S196 S199 S249 N250 W522 | Y193-D524 HydrophobicContact CE1-CB 4.16Å; S194-D524 VanDerWaalsContact CB-OD2 3.28Å; S194-D524 WeakPolarHBondContact CB-OD2 3.31Å; S194-D524 PolarHBondContact OG-OD2 3.37Å; S196-D524 WeakPolarHBondContact CB-OD2 3.29Å; S199-D524 VanDerWaalsContact CB-OD2 3.31Å; S199-D524 WeakPolarHBondContact CB-OD2 3.45Å; S199-D524 PolarHBondContact OG-O 3.01Å; S199-D524 VanDerWaalsContact OG-O 3.09Å; S199-D524 PolarHBondContact OG-OD2 2.85Å; S249-D524 CarbonylContact C-O 3.5Å; S249-D524 WeakPolarHBondContact CA-O 3.33Å; S249-D524 PolarHBondContact OG-O 2.81Å; N250-D524 PolarHBondContact N-O 2.92Å; W522-D524 PolarHBondContact O-N 3.39Å |
| 525 | S | 94.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 117.6 | -164.6 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | S199 T248 F493 N494 W522 | S199-S525 PolarHBondContact OG-OG 2.98Å; T248-S525 CarbonylContact O-C 3.51Å; T248-S525 WeakPolarHBondContact O-CA 3.42Å; F493-S525 CarbonylContact C-O 3.58Å; F493-S525 VanDerWaalsContact CA-O 3.26Å; F493-S525 WeakPolarHBondContact CA-O 3.21Å; F493-S525 WeakPolarHBondContact CB-O 3.36Å; N494-S525 PolarHBondContact N-O 3.23Å; W522-S525 PolarHBondContact O-N 3.36Å |
| 526 | V | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 140 | 175.8 | -65 | 0 | 0 | 0 | 0 | 111.6 | H247 T248 N250 V255 M491 F493 | H247-V526 WeakPolarHBondContact CA-O 3.13Å; H247-V526 VanDerWaalsContact CB-O 3.26Å; H247-V526 WeakPolarHBondContact CB-O 3.29Å; T248-V526 HydrophobicContact CG2-CG2 3.48Å; T248-V526 VanDerWaalsContact CG2-CG2 3.48Å; T248-V526 PolarHBondContact N-O 3.15Å; T248-V526 WeakPolarHBondContact O-CG2 3.49Å; T248-V526 PolarHBondContact O-N 2.77Å; N250-V526 HydrophobicContact CB-CG1 3.72Å; V255-V526 HydrophobicContact CG1-CG2 4.42Å; V255-V526 HydrophobicContact CG2-CG2 4.21Å; M491-V526 HydrophobicContact CB-CB 4.49Å; M491-V526 HydrophobicContact CB-CG1 3.98Å; M491-V526 HydrophobicContact CE-CG1 4.37Å; M491-V526 HydrophobicContact SD-CG1 4.39Å; F493-V526 HydrophobicContact CD1-CG1 3.9Å; F493-V526 HydrophobicContact CE1-CG1 3.98Å |
| 527 | K | 95.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 123.7 | 176.8 | -176.1 | 86.3 | -178.8 | -171.2 | 0 | 110.1 | A262 Y263 A492 N494 F506 A507 S565 | A262-K527 WeakPolarHBondContact CA-O 3.47Å; Y263-K527 HydrophobicContact CD2-CB 4.26Å; Y263-K527 HydrophobicContact CD2-CG 3.63Å; Y263-K527 HydrophobicContact CE2-CG 4.11Å; Y263-K527 PolarHBondContact N-O 2.88Å; Y263-K527 VanDerWaalsContact N-O 3.09Å; A492-K527 PolarHBondContact O-N 3.28Å; N494-K527 HydrophobicContact CB-CB 4.08Å; N494-K527 HydrophobicContact CB-CD 3.99Å; N494-K527 WeakPolarHBondContact OD1-CD 3.45Å; N494-K527 PolarHBondContact OD1-NZ 2.87Å; F506-K527 HydrophobicContact CE2-CD 4.23Å; F506-K527 HydrophobicContact CZ-CD 4.13Å; A507-K527 HydrophobicContact CB-CG 4.39Å; K527-S565 PolarHBondContact NZ-O 3.21Å |
| 528 | L | 96.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -80.4 | 138.2 | -179.6 | -67.3 | 172.7 | 0 | 0 | 0 | 112.2 | F245 N246 T248 W254 C261 Y263 Y530 L540 M544 | F245-L528 WeakPolarHBondContact O-CD1 3.11Å; N246-L528 PolarHBondContact O-N 3.46Å; T248-L528 HydrophobicContact CG2-CD2 3.82Å; W254-L528 HydrophobicContact CH2-CD2 3.77Å; W254-L528 HydrophobicContact CZ3-CD2 4.47Å; C261-L528 CarbonylContact O-C 3.49Å; C261-L528 WeakPolarHBondContact O-CA 3.31Å; Y263-L528 WeakPolarHBondContact CE2-O 3.42Å; L528-Y530 HydrophobicContact CB-CE2 4.11Å; L528-L540 HydrophobicContact CB-CD2 4.07Å; L528-L540 HydrophobicContact CD1-CD1 4.11Å; L528-L540 HydrophobicContact CD2-CD1 3.98Å; L528-L540 HydrophobicContact CG-CD1 4.44Å; L528-M544 HydrophobicContact CD1-CE 3.63Å |
| 529 | R | 95.9 | Very high | 93 | Very high | 51 Ų | 51 | 43 Ų | 43 | 19% | 0.192 | 23% | 0.234 | C | C | . | . | trans | -113.6 | 99 | -178.9 | -175.2 | -175.4 | 170.3 | -79.7 | -5 | 110.9 | C261 Y263 N267 D536 S537 L540 | C261-R529 PolarHBondContact O-N 2.83Å; Y263-R529 HydrophobicContact CD1-CB 4.48Å; Y263-R529 HydrophobicContact CD1-CG 4.26Å; Y263-R529 HydrophobicContact CD2-CB 3.58Å; Y263-R529 HydrophobicContact CD2-CG 4.14Å; Y263-R529 HydrophobicContact CE1-CG 4Å; Y263-R529 HydrophobicContact CE2-CB 3.62Å; Y263-R529 HydrophobicContact CE2-CG 3.88Å; Y263-R529 HydrophobicContact CG-CB 4.02Å; Y263-R529 HydrophobicContact CG-CG 4.3Å; N267-R529 VanDerWaalsContact CG-CD 3.47Å; N267-R529 WeakPolarHBondContact ND2-CD 3.37Å; N267-R529 WeakPolarHBondContact OD1-CD 3.32Å; R529-D536 PolarHBondContact NH1-O 3.43Å; R529-S537 VanDerWaalsContact O-CB 3.23Å; R529-S537 WeakPolarHBondContact O-CB 3.29Å; R529-S537 PolarHBondContact O-OG 3.14Å; R529-L540 WeakPolarHBondContact O-CD2 3.33Å | ||
| 530 | Y | 95.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | trans | -79 | -29.2 | 174.9 | -69 | -93.6 | 0 | 0 | 0 | 113.4 | F245 L528 L540 W541 M544 V570 M574 | F245-Y530 WeakPolarHBondContact O-CE2 3.4Å; F245-Y530 PolarHBondContact O-OH 3.46Å; L528-Y530 HydrophobicContact CB-CE2 4.11Å; Y530-L540 HydrophobicContact CD1-CD2 3.79Å; Y530-L540 HydrophobicContact CD1-CG 3.92Å; Y530-L540 HydrophobicContact CD2-CD2 3.92Å; Y530-L540 HydrophobicContact CE1-CD1 4.36Å; Y530-L540 HydrophobicContact CE1-CD2 3.89Å; Y530-L540 HydrophobicContact CE1-CG 3.7Å; Y530-L540 HydrophobicContact CE2-CD2 4Å; Y530-L540 HydrophobicContact CG-CD2 3.81Å; Y530-L540 HydrophobicContact CG-CG 4.45Å; Y530-W541 HydrophobicContact CD1-CD2 4.08Å; Y530-W541 AromaticContact CD1-CE2 3.9Å; Y530-W541 HydrophobicContact CD1-CG 4.24Å; Y530-W541 HydrophobicContact CD1-CZ2 4.4Å; Y530-W541 AromaticContact CD1-NE1 3.87Å; Y530-W541 PolarHBondContact O-NE1 3.07Å; Y530-M544 HydrophobicContact CE1-CB 4.19Å; Y530-M544 HydrophobicContact CE1-CG 4.1Å; Y530-M544 VanDerWaalsContact OH-CG 3.3Å; Y530-M544 WeakPolarHBondContact OH-CG 3.46Å; Y530-V570 HydrophobicContact CD1-CG1 3.61Å; Y530-V570 HydrophobicContact CD1-CG2 4.09Å; Y530-V570 HydrophobicContact CD2-CG1 3.98Å; Y530-V570 HydrophobicContact CD2-CG2 4.06Å; Y530-V570 HydrophobicContact CE1-CG1 3.58Å; Y530-V570 HydrophobicContact CE2-CG1 3.97Å; Y530-V570 HydrophobicContact CG-CB 4.39Å; Y530-V570 HydrophobicContact CG-CG1 3.81Å; Y530-V570 HydrophobicContact CG-CG2 3.65Å; Y530-M574 HydrophobicContact CE1-CE 3.96Å | ||
| 531 | G | 92 | Very high | 93.6 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 14% | 0.144 | 21% | 0.213 | C | C | . | . | trans | 71.4 | -167.8 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | H569 | G531-H569 PolarHBondContact O-NE2 3.19Š| ||
| 532 | D | 88.4 | Confident | 93.9 | Very high | 131 Ų | 131 | 41.8 Ų | 41.8 | 70% | 0.701 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -81.3 | -25.2 | -175.8 | -61.4 | -33.2 | 0 | 0 | 0 | 111.4 | D536 H569 | D532-D536 PolarHBondContact N-OD2 3.43Å; D532-H569 PolarHBondContact O-CD2 3.19Å |
| 533 | K | 90.5 | Very high | 94.3 | Very high | 122 Ų | 122 | 38.6 Ų | 38.6 | 53% | 0.53 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -146.9 | 161.3 | -177.3 | 60.2 | -174.8 | 174.5 | -168 | 0 | 112.2 | A535 D536 | K533-A535 HydrophobicContact CD-CB 4.32Å; K533-A535 HydrophobicContact CG-CB 4.22Å; K533-A535 PolarHBondContact O-N 3.19Å; K533-D536 VanDerWaalsContact CE-OD1 3.32Å; K533-D536 WeakPolarHBondContact CE-OD1 3.29Å; K533-D536 WeakPolarHBondContact CG-OD2 3.25Å; K533-D536 PolarHBondContact N-OD2 2.96Å; K533-D536 VanDerWaalsContact N-OD2 3.09Å; K533-D536 WeakPolarHBondContact O-CB 3.02Å; K533-D536 PolarHBondContact O-N 3.01Å |
| 534 | P | 92.9 | Very high | 94.8 | Very high | 59 Ų | 59 | 37.7 Ų | 37.7 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -50.7 | -31.4 | 177.8 | -30.7 | 36.2 | 0 | 0 | 0 | 115.9 | D536 S537 P538 W541 | P534-D536 PolarHBondContact O-N 2.86Å; P534-S537 CarbonylContact O-C 3.2Å; P534-S537 PolarHBondContact O-N 2.86Å; P534-P538 WeakPolarHBondContact O-CA 3.43Å; P534-P538 VanDerWaalsContact O-N 3.14Å; P534-W541 VanDerWaalsContact CA-CD1 3.5Å; P534-W541 HydrophobicContact CB-CB 4.29Å; P534-W541 HydrophobicContact CB-CD2 4.11Å; P534-W541 HydrophobicContact CB-CG 4Å; P534-W541 HydrophobicContact CG-CD2 3.88Å; P534-W541 HydrophobicContact CG-CE3 3.95Å; P534-W541 HydrophobicContact CG-CG 4.31Å; P534-W541 HydrophobicContact CG-CZ2 4.47Å; P534-W541 HydrophobicContact CG-CZ3 4.29Å |
| 535 | A | 93.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 37.1 Ų | 37.1 | 60% | 0.595 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -66.9 | -19.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K533 | K533-A535 HydrophobicContact CD-CB 4.32Å; K533-A535 HydrophobicContact CG-CB 4.22Å; K533-A535 PolarHBondContact O-N 3.19Å |
| 536 | D | 92.5 | Very high | 95.4 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 28% | 0.278 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -81.7 | -19.3 | -177.4 | -56.7 | -27 | 0 | 0 | 0 | 112.7 | R529 D532 K533 P534 | R529-D536 PolarHBondContact NH1-O 3.43Å; D532-D536 PolarHBondContact N-OD2 3.43Å; K533-D536 VanDerWaalsContact CE-OD1 3.32Å; K533-D536 WeakPolarHBondContact CE-OD1 3.29Å; K533-D536 WeakPolarHBondContact CG-OD2 3.25Å; K533-D536 PolarHBondContact N-OD2 2.96Å; K533-D536 VanDerWaalsContact N-OD2 3.09Å; K533-D536 WeakPolarHBondContact O-CB 3.02Å; K533-D536 PolarHBondContact O-N 3.01Å; P534-D536 PolarHBondContact O-N 2.86Å |
| 537 | S | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -154.4 | 64 | 175.3 | -164 | 0 | 0 | 0 | 0 | 111.7 | R529 P534 Y539 L540 W541 | R529-S537 VanDerWaalsContact O-CB 3.23Å; R529-S537 WeakPolarHBondContact O-CB 3.29Å; R529-S537 PolarHBondContact O-OG 3.14Å; P534-S537 CarbonylContact O-C 3.2Å; P534-S537 PolarHBondContact O-N 2.86Å; S537-Y539 VanDerWaalsContact C-N 3.3Å; S537-Y539 PolarHBondContact O-N 3.5Å; S537-L540 PolarHBondContact O-N 2.86Å; S537-L540 VanDerWaalsContact O-N 3.12Å; S537-L540 WeakPolarHBondContact OG-CB 3.36Å; S537-W541 VanDerWaalsContact O-CD1 3.29Å; S537-W541 PolarHBondContact O-N 2.94Å |
| 538 | P | 96.6 | Very high | 95.6 | Very high | 77 Ų | 77 | 41.6 Ų | 41.6 | 50% | 0.5 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.1 | -39.4 | -167.1 | -25.5 | 34.2 | 0 | 0 | 0 | 114.3 | P534 D542 | P534-P538 WeakPolarHBondContact O-CA 3.43Å; P534-P538 VanDerWaalsContact O-N 3.14Å; P538-D542 WeakPolarHBondContact O-CB 3.37Å; P538-D542 PolarHBondContact O-N 3.27Å; P538-D542 VanDerWaalsContact O-N 3.1Å |
| 539 | Y | 97.6 | Very high | 95.7 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 179.1 | -176.3 | -87.5 | 0 | 0 | 0 | 111.8 | W254 H258 S537 W541 D542 R543 | W254-Y539 HydrophobicContact CB-CE1 4.18Å; W254-Y539 HydrophobicContact CD2-CE1 4.24Å; W254-Y539 HydrophobicContact CE3-CD1 4.18Å; W254-Y539 AromaticContact CE3-CE1 3.63Å; W254-Y539 HydrophobicContact CE3-CE1 3.63Å; W254-Y539 HydrophobicContact CZ3-CE1 4.35Å; H258-Y539 HydrophobicContact CB-CD1 4.09Å; H258-Y539 HydrophobicContact CB-CG 4.31Å; H258-Y539 AromaticContact CD2-CD1 3.89Å; H258-Y539 AromaticContact CD2-CD2 3.57Å; H258-Y539 AromaticContact CD2-CE1 3.9Å; H258-Y539 AromaticContact CD2-CE2 3.56Å; H258-Y539 AromaticContact CD2-CG 3.74Å; H258-Y539 AromaticContact CD2-CZ 3.73Å; H258-Y539 AromaticContact CE1-CD2 3.7Å; H258-Y539 AromaticContact CG-CD1 3.91Å; H258-Y539 AromaticContact CG-CD2 3.98Å; H258-Y539 AromaticContact CG-CG 3.73Å; H258-Y539 AromaticContact ND1-CG 3.94Å; H258-Y539 AromaticContact NE2-CD2 3.37Å; H258-Y539 WeakPolarHBondContact NE2-CD2 3.31Å; H258-Y539 AromaticContact NE2-CE2 3.45Å; H258-Y539 WeakPolarHBondContact NE2-CE2 3.43Å; H258-Y539 AromaticContact NE2-CG 3.94Å; S537-Y539 VanDerWaalsContact C-N 3.3Å; S537-Y539 PolarHBondContact O-N 3.5Å; Y539-W541 PolarHBondContact O-N 3.27Å; Y539-D542 PolarHBondContact O-N 3.49Å; Y539-R543 VanDerWaalsContact O-CB 3.26Å; Y539-R543 WeakPolarHBondContact O-CB 3.35Å; Y539-R543 PolarHBondContact O-N 2.95Å |
| 540 | L | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 179.7 | 179.8 | 59.6 | 0 | 0 | 0 | 111.8 | W254 C261 L528 R529 Y530 S537 R543 M544 | W254-L540 HydrophobicContact CH2-CD1 4.09Å; W254-L540 HydrophobicContact CZ3-CD1 4.3Å; C261-L540 HydrophobicContact CB-CB 4.11Å; C261-L540 HydrophobicContact CB-CD2 4.44Å; L528-L540 HydrophobicContact CB-CD2 4.07Å; L528-L540 HydrophobicContact CD1-CD1 4.11Å; L528-L540 HydrophobicContact CD2-CD1 3.98Å; L528-L540 HydrophobicContact CG-CD1 4.44Å; R529-L540 WeakPolarHBondContact O-CD2 3.33Å; Y530-L540 HydrophobicContact CD1-CD2 3.79Å; Y530-L540 HydrophobicContact CD1-CG 3.92Å; Y530-L540 HydrophobicContact CD2-CD2 3.92Å; Y530-L540 HydrophobicContact CE1-CD1 4.36Å; Y530-L540 HydrophobicContact CE1-CD2 3.89Å; Y530-L540 HydrophobicContact CE1-CG 3.7Å; Y530-L540 HydrophobicContact CE2-CD2 4Å; Y530-L540 HydrophobicContact CG-CD2 3.81Å; Y530-L540 HydrophobicContact CG-CG 4.45Å; S537-L540 PolarHBondContact O-N 2.86Å; S537-L540 VanDerWaalsContact O-N 3.12Å; S537-L540 WeakPolarHBondContact OG-CB 3.36Å; L540-R543 PolarHBondContact O-N 3.42Å; L540-M544 HydrophobicContact CD1-CE 3.86Å; L540-M544 HydrophobicContact CD1-CG 3.77Å; L540-M544 HydrophobicContact CG-CG 4.41Å; L540-M544 WeakPolarHBondContact O-CB 3.35Å; L540-M544 VanDerWaalsContact O-CG 3.28Å; L540-M544 WeakPolarHBondContact O-CG 3.41Å; L540-M544 PolarHBondContact O-N 2.88Å |
| 541 | W | 97.6 | Very high | 95.9 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 4% | 0.038 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 179.2 | -81.6 | 88.3 | 0 | 0 | 0 | 112.1 | Y530 P534 S537 Y539 T545 V570 Y573 M574 | Y530-W541 HydrophobicContact CD1-CD2 4.08Å; Y530-W541 AromaticContact CD1-CE2 3.9Å; Y530-W541 HydrophobicContact CD1-CG 4.24Å; Y530-W541 HydrophobicContact CD1-CZ2 4.4Å; Y530-W541 AromaticContact CD1-NE1 3.87Å; Y530-W541 PolarHBondContact O-NE1 3.07Å; P534-W541 VanDerWaalsContact CA-CD1 3.5Å; P534-W541 HydrophobicContact CB-CB 4.29Å; P534-W541 HydrophobicContact CB-CD2 4.11Å; P534-W541 HydrophobicContact CB-CG 4Å; P534-W541 HydrophobicContact CG-CD2 3.88Å; P534-W541 HydrophobicContact CG-CE3 3.95Å; P534-W541 HydrophobicContact CG-CG 4.31Å; P534-W541 HydrophobicContact CG-CZ2 4.47Å; P534-W541 HydrophobicContact CG-CZ3 4.29Å; S537-W541 VanDerWaalsContact O-CD1 3.29Å; S537-W541 PolarHBondContact O-N 2.94Å; Y539-W541 PolarHBondContact O-N 3.27Å; W541-T545 VanDerWaalsContact O-CB 3.31Å; W541-T545 WeakPolarHBondContact O-CB 3.36Å; W541-T545 PolarHBondContact O-N 2.86Å; W541-T545 PolarHBondContact O-OG1 3.44Å; W541-V570 HydrophobicContact CH2-CB 4.35Å; W541-V570 HydrophobicContact CH2-CG2 3.89Å; W541-V570 HydrophobicContact CZ2-CG2 3.84Å; W541-Y573 AromaticContact CE3-CD1 3.9Å; W541-Y573 HydrophobicContact CE3-CD1 3.9Å; W541-Y573 HydrophobicContact CE3-CE1 4.08Å; W541-Y573 HydrophobicContact CE3-CG 4.25Å; W541-Y573 AromaticContact CZ3-CD1 3.62Å; W541-Y573 HydrophobicContact CZ3-CD1 3.62Å; W541-Y573 HydrophobicContact CZ3-CD2 4.08Å; W541-Y573 HydrophobicContact CZ3-CE1 4.21Å; W541-Y573 AromaticContact CZ3-CG 3.55Å; W541-Y573 HydrophobicContact CZ3-CG 3.55Å; W541-M574 HydrophobicContact CE3-CE 4.1Å; W541-M574 HydrophobicContact CZ3-CE 4.48Å |
| 542 | D | 97.9 | Very high | 96.2 | Very high | 79 Ų | 79 | 43.2 Ų | 43.2 | 42% | 0.422 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 176.8 | 174.7 | 68.1 | 0 | 0 | 0 | 111.7 | P538 Y539 M544 T545 K546 | P538-D542 WeakPolarHBondContact O-CB 3.37Å; P538-D542 PolarHBondContact O-N 3.27Å; P538-D542 VanDerWaalsContact O-N 3.1Å; Y539-D542 PolarHBondContact O-N 3.49Å; D542-M544 PolarHBondContact O-N 3.35Å; D542-T545 WeakPolarHBondContact O-CB 3.48Å; D542-T545 PolarHBondContact O-N 3.1Å; D542-K546 WeakPolarHBondContact O-CG 3.25Å; D542-K546 PolarHBondContact O-N 3.29Å; D542-K546 VanDerWaalsContact OD1-CE 3.28Å; D542-K546 WeakPolarHBondContact OD1-CE 3.08Å; D542-K546 IonicContact OD1-NZ 3.84Å; D542-K546 PolarHBondContact OD1-NZ 3.34Å; D542-K546 WeakPolarHBondContact OD2-CE 3.1Å; D542-K546 IonicContact OD2-NZ 2.87Å; D542-K546 PolarHBondContact OD2-NZ 2.88Å |
| 543 | R | 97.6 | Very high | 96.6 | Very high | 21 Ų | 21 | 42 Ų | 42 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 179.2 | -176.6 | 173.4 | -176.9 | 78.9 | 9.3 | 112.3 | D202 L204 W254 Y539 L540 K546 Y547 | D202-R543 IonicContact OD1-CZ 3.84Å; D202-R543 IonicContact OD1-NH1 3.55Å; D202-R543 IonicContact OD1-NH2 3.88Å; D202-R543 PolarHBondContact OD1-NH2 3.41Å; L204-R543 HydrophobicContact CD1-CG 4.45Å; W254-R543 VanDerWaalsContact CE2-NE 3.3Å; Y539-R543 VanDerWaalsContact O-CB 3.26Å; Y539-R543 WeakPolarHBondContact O-CB 3.35Å; Y539-R543 PolarHBondContact O-N 2.95Å; L540-R543 PolarHBondContact O-N 3.42Å; R543-K546 PolarHBondContact O-N 2.92Å; R543-Y547 PolarHBondContact O-N 3Å |
| 544 | M | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -74.7 | -27.9 | -178.1 | -65.9 | -69.2 | 170.3 | 0 | 0 | 112.4 | Q203 F245 W254 L528 Y530 L540 D542 Y547 T548 M574 | Q203-M544 HydrophobicContact CG-CE 3.95Å; Q203-M544 HydrophobicContact CG-SD 4.3Å; F245-M544 HydrophobicContact CD1-SD 4.38Å; W254-M544 HydrophobicContact CH2-CE 4.34Å; W254-M544 HydrophobicContact CZ2-CE 4.48Å; L528-M544 HydrophobicContact CD1-CE 3.63Å; Y530-M544 HydrophobicContact CE1-CB 4.19Å; Y530-M544 HydrophobicContact CE1-CG 4.1Å; Y530-M544 VanDerWaalsContact OH-CG 3.3Å; Y530-M544 WeakPolarHBondContact OH-CG 3.46Å; L540-M544 HydrophobicContact CD1-CE 3.86Å; L540-M544 HydrophobicContact CD1-CG 3.77Å; L540-M544 HydrophobicContact CG-CG 4.41Å; L540-M544 WeakPolarHBondContact O-CB 3.35Å; L540-M544 VanDerWaalsContact O-CG 3.28Å; L540-M544 WeakPolarHBondContact O-CG 3.41Å; L540-M544 PolarHBondContact O-N 2.88Å; D542-M544 PolarHBondContact O-N 3.35Å; M544-Y547 PolarHBondContact O-N 2.9Å; M544-Y547 HydrophobicContact SD-CD1 3.9Å; M544-T548 WeakPolarHBondContact O-CB 3.34Å; M544-T548 PolarHBondContact O-N 3.4Å; M544-T548 PolarHBondContact O-OG1 3.43Å; M544-M574 HydrophobicContact CB-CE 3.5Å; M544-M574 VanDerWaalsContact CB-CE 3.5Å; M544-M574 HydrophobicContact CB-SD 4.21Å |
| 545 | T | 98.3 | Very high | 97.2 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -50.7 | 169.1 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | W541 D542 Y547 T548 E549 Y573 K577 | W541-T545 VanDerWaalsContact O-CB 3.31Å; W541-T545 WeakPolarHBondContact O-CB 3.36Å; W541-T545 PolarHBondContact O-N 2.86Å; W541-T545 PolarHBondContact O-OG1 3.44Å; D542-T545 WeakPolarHBondContact O-CB 3.48Å; D542-T545 PolarHBondContact O-N 3.1Å; T545-Y547 VanDerWaalsContact C-N 3.31Å; T545-Y547 PolarHBondContact O-N 2.73Å; T545-T548 PolarHBondContact O-N 3.18Å; T545-T548 VanDerWaalsContact O-N 3.13Å; T545-E549 HydrophobicContact CG2-CG 4.33Å; T545-E549 WeakPolarHBondContact O-CG 3.48Å; T545-E549 PolarHBondContact O-N 3.31Å; T545-Y573 WeakPolarHBondContact OG1-CE1 3.33Å; T545-K577 HydrophobicContact CG2-CD 4.11Å; T545-K577 HydrophobicContact CG2-CG 4.07Å |
| 546 | K | 98.4 | Very high | 97.3 | Very high | 98 Ų | 98 | 30.9 Ų | 30.9 | 43% | 0.426 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 177.3 | -72.5 | 167.5 | 179.5 | 165.6 | 0 | 111.9 | L204 D542 R543 T548 L550 | L204-K546 HydrophobicContact CD1-CB 4.47Å; L204-K546 HydrophobicContact CD2-CB 3.93Å; D542-K546 WeakPolarHBondContact O-CG 3.25Å; D542-K546 PolarHBondContact O-N 3.29Å; D542-K546 VanDerWaalsContact OD1-CE 3.28Å; D542-K546 WeakPolarHBondContact OD1-CE 3.08Å; D542-K546 IonicContact OD1-NZ 3.84Å; D542-K546 PolarHBondContact OD1-NZ 3.34Å; D542-K546 WeakPolarHBondContact OD2-CE 3.1Å; D542-K546 IonicContact OD2-NZ 2.87Å; D542-K546 PolarHBondContact OD2-NZ 2.88Å; R543-K546 PolarHBondContact O-N 2.92Å; K546-T548 VanDerWaalsContact C-N 3.33Å; K546-T548 PolarHBondContact O-N 3.4Å; K546-L550 WeakPolarHBondContact O-CB 3.48Å; K546-L550 PolarHBondContact O-N 2.96Å |
| 547 | Y | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | 174.9 | 173.5 | -149.8 | 0 | 0 | 0 | 111.6 | Q189 Q203 D242 L243 F245 R543 M544 T545 T551 | Q189-Y547 HydrophobicContact CG-CE2 4.3Å; Q203-Y547 HydrophobicContact CB-CD1 3.92Å; Q203-Y547 HydrophobicContact CB-CD2 4.26Å; Q203-Y547 HydrophobicContact CB-CE1 4.36Å; Q203-Y547 HydrophobicContact CB-CG 3.85Å; Q203-Y547 HydrophobicContact CG-CD1 3.95Å; Q203-Y547 HydrophobicContact CG-CE1 4.14Å; Q203-Y547 HydrophobicContact CG-CG 4.4Å; D242-Y547 PolarHBondContact O-OH 2.93Å; D242-Y547 VanDerWaalsContact O-OH 3.09Å; L243-Y547 HydrophobicContact CD2-CD1 4.38Å; L243-Y547 HydrophobicContact CD2-CD2 4.44Å; L243-Y547 HydrophobicContact CD2-CE1 4.1Å; L243-Y547 HydrophobicContact CD2-CE2 4.07Å; F245-Y547 HydrophobicContact CE1-CD1 4.49Å; R543-Y547 PolarHBondContact O-N 3Å; M544-Y547 PolarHBondContact O-N 2.9Å; M544-Y547 HydrophobicContact SD-CD1 3.9Å; T545-Y547 VanDerWaalsContact C-N 3.31Å; T545-Y547 PolarHBondContact O-N 2.73Å; Y547-T551 WeakPolarHBondContact CE2-OG1 3.46Å; Y547-T551 WeakPolarHBondContact O-CB 3.31Å; Y547-T551 PolarHBondContact O-N 3.34Å; Y547-T551 PolarHBondContact O-OG1 2.63Å |
| 548 | T | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.6 | -46.7 | -179.5 | -57.4 | 0 | 0 | 0 | 0 | 112.6 | L243 F245 M544 T545 K546 T551 A552 M574 A578 | L243-T548 HydrophobicContact CD1-CG2 4.29Å; F245-T548 VanDerWaalsContact CE1-OG1 3.26Å; F245-T548 WeakPolarHBondContact CE1-OG1 3.1Å; F245-T548 HydrophobicContact CZ-CG2 4.43Å; F245-T548 WeakPolarHBondContact CZ-OG1 2.97Å; M544-T548 WeakPolarHBondContact O-CB 3.34Å; M544-T548 PolarHBondContact O-N 3.4Å; M544-T548 PolarHBondContact O-OG1 3.43Å; T545-T548 PolarHBondContact O-N 3.18Å; T545-T548 VanDerWaalsContact O-N 3.13Å; K546-T548 VanDerWaalsContact C-N 3.33Å; K546-T548 PolarHBondContact O-N 3.4Å; T548-T551 PolarHBondContact O-N 3.43Å; T548-A552 WeakPolarHBondContact O-CB 3.45Å; T548-A552 PolarHBondContact O-N 3.43Å; T548-M574 HydrophobicContact CG2-CB 4.2Å; T548-M574 WeakPolarHBondContact CG2-O 3.47Å; T548-A578 HydrophobicContact CG2-CB 3.69Å |
| 549 | E | 98.3 | Very high | 97.7 | Very high | 66 Ų | 66 | 25 Ų | 25 | 31% | 0.308 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 179.4 | -71.4 | 176.8 | 160.6 | 0 | 0 | 111.6 | T545 T551 A552 K553 K577 I581 | T545-E549 HydrophobicContact CG2-CG 4.33Å; T545-E549 WeakPolarHBondContact O-CG 3.48Å; T545-E549 PolarHBondContact O-N 3.31Å; E549-T551 VanDerWaalsContact C-N 3.33Å; E549-T551 PolarHBondContact O-N 3.21Å; E549-A552 PolarHBondContact O-N 3.28Å; E549-K553 WeakPolarHBondContact O-CB 2.95Å; E549-K553 PolarHBondContact O-N 3.46Å; E549-K577 HydrophobicContact CG-CB 4.23Å; E549-I581 HydrophobicContact CB-CG1 4.25Å; E549-I581 HydrophobicContact CG-CG1 4.23Å |
| 550 | L | 97.8 | Very high | 97.6 | Very high | 38 Ų | 38 | 22 Ų | 22 | 20% | 0.199 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 174.7 | 177.2 | 64.4 | 0 | 0 | 0 | 111.3 | W221 K546 K553 I554 | W221-L550 HydrophobicContact CB-CD1 4.21Å; W221-L550 HydrophobicContact CD2-CD1 4.5Å; W221-L550 HydrophobicContact CD2-CD2 3.86Å; W221-L550 HydrophobicContact CD2-CG 4.39Å; W221-L550 HydrophobicContact CG-CD1 4.13Å; W221-L550 HydrophobicContact CG-CD2 3.96Å; W221-L550 HydrophobicContact CG-CG 4.46Å; W221-L550 HydrophobicContact CZ2-CD2 4.23Å; K546-L550 WeakPolarHBondContact O-CB 3.48Å; K546-L550 PolarHBondContact O-N 2.96Å; L550-K553 WeakPolarHBondContact O-CB 3.42Å; L550-K553 PolarHBondContact O-N 2.73Å; L550-I554 HydrophobicContact CD1-CD1 3.91Å; L550-I554 HydrophobicContact CG-CD1 4.36Å; L550-I554 WeakPolarHBondContact O-CG1 3.39Å; L550-I554 PolarHBondContact O-N 2.67Å |
| 551 | T | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.8 | -49.6 | 179 | -62 | 0 | 0 | 0 | 0 | 111.5 | T241 L243 Y547 T548 E549 K553 I554 F555 V558 | T241-T551 HydrophobicContact CG2-CG2 3.29Å; L243-T551 HydrophobicContact CD2-CG2 3.92Å; L243-T551 HydrophobicContact CG-CG2 4.24Å; Y547-T551 WeakPolarHBondContact CE2-OG1 3.46Å; Y547-T551 WeakPolarHBondContact O-CB 3.31Å; Y547-T551 PolarHBondContact O-N 3.34Å; Y547-T551 PolarHBondContact O-OG1 2.63Å; T548-T551 PolarHBondContact O-N 3.43Å; E549-T551 VanDerWaalsContact C-N 3.33Å; E549-T551 PolarHBondContact O-N 3.21Å; T551-K553 VanDerWaalsContact C-N 3.28Å; T551-K553 PolarHBondContact O-N 3.27Å; T551-I554 PolarHBondContact O-N 3.08Å; T551-F555 HydrophobicContact CG2-CD2 4.12Å; T551-F555 WeakPolarHBondContact O-CD2 3.43Å; T551-F555 PolarHBondContact O-N 3.45Å; T551-V558 HydrophobicContact CG2-CG1 3.71Å |
| 552 | A | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.3 | -29 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T548 E549 A578 I581 R582 | T548-A552 WeakPolarHBondContact O-CB 3.45Å; T548-A552 PolarHBondContact O-N 3.43Å; E549-A552 PolarHBondContact O-N 3.28Å; A552-A578 HydrophobicContact CB-CB 3.81Å; A552-A578 WeakPolarHBondContact CB-O 3.44Å; A552-I581 HydrophobicContact CB-CB 4.2Å; A552-I581 HydrophobicContact CB-CG2 4.36Å; A552-R582 PolarHBondContact O-NE 3.22Å |
| 553 | K | 97.5 | Very high | 96.5 | Very high | 105 Ų | 105 | 18.5 Ų | 18.5 | 46% | 0.457 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -62.5 | -47.1 | 173.4 | -175.5 | -170.1 | 178.2 | -141.9 | 0 | 110.8 | E225 E549 L550 T551 I581 R582 | E225-K553 IonicContact OE1-NZ 3.67Å; E225-K553 WeakPolarHBondContact OE2-CE 3.38Å; E225-K553 IonicContact OE2-NZ 3.89Å; E225-K553 PolarHBondContact OE2-NZ 3.05Å; E549-K553 WeakPolarHBondContact O-CB 2.95Å; E549-K553 PolarHBondContact O-N 3.46Å; L550-K553 WeakPolarHBondContact O-CB 3.42Å; L550-K553 PolarHBondContact O-N 2.73Å; T551-K553 VanDerWaalsContact C-N 3.28Å; T551-K553 PolarHBondContact O-N 3.27Å; K553-I581 HydrophobicContact CB-CG2 3.94Å; K553-R582 PolarHBondContact O-NH2 3.35Å |
| 554 | I | 97.8 | Very high | 96 | Very high | 5 Ų | 5 | 18.6 Ų | 18.6 | 3% | 0.026 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -83.7 | -46.5 | -172 | -63.5 | 174.3 | 0 | 0 | 0 | 111.8 | W221 I224 E225 V228 L550 T551 | W221-I554 HydrophobicContact CB-CD1 4.12Å; W221-I554 HydrophobicContact CD2-CD1 4.42Å; W221-I554 HydrophobicContact CE3-CD1 3.83Å; I224-I554 HydrophobicContact CG2-CG2 4.2Å; E225-I554 HydrophobicContact CB-CD1 4.38Å; E225-I554 HydrophobicContact CB-CG1 4.05Å; E225-I554 HydrophobicContact CG-CG1 4.19Å; V228-I554 HydrophobicContact CB-CG2 4.25Å; V228-I554 VanDerWaalsContact CG1-O 3.31Å; V228-I554 WeakPolarHBondContact CG1-O 3.35Å; V228-I554 HydrophobicContact CG2-CG2 3.9Å; L550-I554 HydrophobicContact CD1-CD1 3.91Å; L550-I554 HydrophobicContact CG-CD1 4.36Å; L550-I554 WeakPolarHBondContact O-CG1 3.39Å; L550-I554 PolarHBondContact O-N 2.67Å; T551-I554 PolarHBondContact O-N 3.08Å |
| 555 | F | 97.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | trans | -98.9 | 155.2 | -170.8 | -61.5 | -85.3 | 0 | 0 | 0 | 112.5 | F185 L188 I224 V228 T241 T551 R582 | F185-F555 AromaticContact CD2-CE1 3.95Å; F185-F555 HydrophobicContact CD2-CE1 3.95Å; F185-F555 HydrophobicContact CE2-CE1 4.48Å; L188-F555 HydrophobicContact CD1-CE1 4.01Å; L188-F555 HydrophobicContact CD1-CE2 4.16Å; L188-F555 HydrophobicContact CD1-CZ 3.32Å; I224-F555 HydrophobicContact CG2-CZ 4.02Å; V228-F555 HydrophobicContact CG2-CD1 4.29Å; V228-F555 HydrophobicContact CG2-CE1 3.82Å; V228-F555 HydrophobicContact CG2-CZ 4.3Å; T241-F555 HydrophobicContact CG2-CB 4.19Å; T241-F555 HydrophobicContact CG2-CD1 4.08Å; T241-F555 HydrophobicContact CG2-CD2 3.33Å; T241-F555 HydrophobicContact CG2-CE1 4.37Å; T241-F555 HydrophobicContact CG2-CE2 3.67Å; T241-F555 HydrophobicContact CG2-CG 3.58Å; T241-F555 HydrophobicContact CG2-CZ 4.21Å; T551-F555 HydrophobicContact CG2-CD2 4.12Å; T551-F555 WeakPolarHBondContact O-CD2 3.43Å; T551-F555 PolarHBondContact O-N 3.45Å; F555-R582 WeakPolarHBondContact O-CD 3.46Å; F555-R582 PolarHBondContact O-NE 3.15Å | ||
| 556 | H | 96.4 | Very high | 95 | Very high | 15 Ų | 15 | 18.9 Ų | 18.9 | 7% | 0.069 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -90.5 | -21.9 | -178 | -60.9 | 85.2 | 0 | 0 | 0 | 112.4 | E232 L238 S239 R582 Y586 | E232-H556 IonicContact OE1-NE2 2.74Å; E232-H556 IonicContact OE2-CE1 3.96Å; E232-H556 IonicContact OE2-NE2 3.62Å; E232-H556 PolarHBondContact OE2-NE2 3.3Å; L238-H556 HydrophobicContact CB-CB 4.11Å; L238-H556 HydrophobicContact CD1-CB 4.38Å; S239-H556 PolarHBondContact O-N 2.98Å; H556-R582 PolarHBondContact CD2-NH1 3.26Å; H556-R582 VanDerWaalsContact CD2-NH1 3.31Å; H556-Y586 PolarHBondContact O-N 3.04Å |
| 557 | A | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 157.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | M182 S239 M240 T241 Y586 | M182-A557 HydrophobicContact CE-CB 4.49Å; M182-A557 HydrophobicContact SD-CB 4.24Å; S239-A557 PolarHBondContact O-N 3.39Å; M240-A557 VanDerWaalsContact CA-O 3.31Å; M240-A557 WeakPolarHBondContact CA-O 3.37Å; M240-A557 HydrophobicContact CB-CB 3.73Å; M240-A557 HydrophobicContact CG-CB 3.71Å; M240-A557 HydrophobicContact SD-CB 4.02Å; T241-A557 PolarHBondContact N-O 2.92Å; A557-Y586 CarbonylContact C-O 3.32Å; A557-Y586 WeakPolarHBondContact CA-O 3.23Å; A557-Y586 HydrophobicContact CB-CD1 3.68Å; A557-Y586 HydrophobicContact CB-CG 4.09Å; A557-Y586 WeakPolarHBondContact CB-O 3.35Å |
| 558 | V | 97.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 139.5 | 173.8 | -67.4 | 0 | 0 | 0 | 0 | 111 | T241 L243 T551 I575 L585 Y586 V587 V588 | T241-V558 CarbonylContact O-C 3.56Å; T241-V558 VanDerWaalsContact O-CA 3.25Å; T241-V558 WeakPolarHBondContact O-CA 3.49Å; L243-V558 HydrophobicContact CD1-CB 3.78Å; L243-V558 HydrophobicContact CD1-CG1 3.78Å; L243-V558 HydrophobicContact CD1-CG2 3.97Å; L243-V558 HydrophobicContact CG-CB 4.27Å; L243-V558 HydrophobicContact CG-CG1 4.2Å; T551-V558 HydrophobicContact CG2-CG1 3.71Å; V558-I575 HydrophobicContact CG2-CD1 4.37Å; V558-L585 HydrophobicContact CG1-CD1 4.25Å; V558-L585 HydrophobicContact CG2-CD1 4.36Å; V558-L585 HydrophobicContact CG2-CD2 3.92Å; V558-L585 HydrophobicContact CG2-CG 4.23Å; V558-Y586 PolarHBondContact N-O 2.82Å; V558-V587 HydrophobicContact CG2-CB 4.44Å; V558-V587 HydrophobicContact CG2-CG1 4.22Å; V558-V587 HydrophobicContact CG2-CG2 4.1Å; V558-V588 PolarHBondContact O-N 3.02Å |
| 559 | R | 97.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 2% | 0.019 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.5 | 167.6 | 176.7 | 179.9 | 173.7 | -76 | -0.1 | 108.6 | H184 M240 T241 D242 L243 D561 V588 E590 I612 | H184-R559 VanDerWaalsContact CE1-CD 3.48Å; H184-R559 WeakPolarHBondContact CE1-CD 3.45Å; M240-R559 HydrophobicContact CE-CB 4.21Å; M240-R559 HydrophobicContact SD-CB 4.24Å; T241-R559 PolarHBondContact O-N 3.47Å; D242-R559 CarbonylContact C-O 3.37Å; D242-R559 VanDerWaalsContact CA-O 3.29Å; D242-R559 WeakPolarHBondContact CA-O 3.23Å; D242-R559 WeakPolarHBondContact OD1-CB 3.41Å; D242-R559 WeakPolarHBondContact OD1-CD 3.32Å; D242-R559 VanDerWaalsContact OD1-CG 3.25Å; D242-R559 WeakPolarHBondContact OD1-CG 3.49Å; D242-R559 IonicContact OD1-CZ 2.96Å; D242-R559 IonicContact OD1-NE 2.59Å; D242-R559 IonicContact OD1-NH1 3.56Å; D242-R559 PolarHBondContact OD1-NH1 3.4Å; L243-R559 PolarHBondContact N-O 3.11Å; R559-D561 IonicContact CZ-OD1 2.58Å; R559-D561 IonicContact NH1-OD1 2.78Å; R559-D561 PolarHBondContact NH1-OD1 2.65Å; R559-D561 IonicContact NH2-OD1 2.68Å; R559-D561 PolarHBondContact O-N 2.79Å; R559-V588 CarbonylContact C-O 3.4Å; R559-V588 VanDerWaalsContact CA-O 3.31Å; R559-V588 WeakPolarHBondContact CA-O 3.36Å; R559-E590 IonicContact CZ-OE2 2.73Å; R559-E590 IonicContact NH1-OE2 2.8Å; R559-E590 IonicContact NH2-OE2 3.2Å; R559-E590 PolarHBondContact NH2-OE2 2.59Å; R559-I612 HydrophobicContact CG-CD1 4.16Å |
| 560 | L | 96.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 107.1 | 169.9 | -63.6 | -173.3 | 0 | 0 | 0 | 108.7 | L243 F245 C563 I575 V587 V588 A589 E590 L606 L608 | L243-L560 HydrophobicContact CB-CD2 4.03Å; L243-L560 HydrophobicContact CD1-CD2 4.14Å; F245-L560 HydrophobicContact CD2-CD2 4.36Å; F245-L560 HydrophobicContact CE2-CD2 3.79Å; L560-C563 HydrophobicContact CB-CB 3.98Å; L560-I575 HydrophobicContact CD1-CD1 4.22Å; L560-I575 HydrophobicContact CD1-CG1 4.3Å; L560-I575 HydrophobicContact CD2-CD1 3.96Å; L560-I575 HydrophobicContact CG-CD1 4.42Å; L560-V587 HydrophobicContact CD1-CG1 4.25Å; L560-V587 HydrophobicContact CG-CG1 4.24Å; L560-V588 PolarHBondContact N-O 2.79Å; L560-A589 HydrophobicContact CB-CB 4.18Å; L560-E590 PolarHBondContact O-N 3.38Å; L560-L606 HydrophobicContact CD1-CD1 4.19Å; L560-L608 HydrophobicContact CD1-CD2 3.88Å |
| 561 | D | 92.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 15 Ų | 15 | 5% | 0.048 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 132.4 | 177.5 | -179.1 | 70.3 | 0 | 0 | 0 | 110.8 | Y198 L243 V244 N246 H247 R559 C563 | Y198-D561 HydrophobicContact CD1-CB 4.36Å; Y198-D561 HydrophobicContact CE1-CB 4.31Å; Y198-D561 WeakPolarHBondContact CE1-OD1 3.35Å; L243-D561 PolarHBondContact O-N 3.03Å; V244-D561 HydrophobicContact CG2-CB 4.04Å; N246-D561 PolarHBondContact ND2-O 3.31Å; H247-D561 IonicContact CE1-OD2 2.81Å; R559-D561 IonicContact CZ-OD1 2.58Å; R559-D561 IonicContact NH1-OD1 2.78Å; R559-D561 PolarHBondContact NH1-OD1 2.65Å; R559-D561 IonicContact NH2-OD1 2.68Å; R559-D561 PolarHBondContact O-N 2.79Å; D561-C563 PolarHBondContact O-N 3.09Å; D561-C563 VanDerWaalsContact O-N 3.15Å |
| 562 | N | 87.4 | Confident | 93.2 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 51.3 | 178.3 | -172.5 | 2 | 0 | 0 | 0 | 111.4 | N246 W522 H564 S565 E590 | N246-N562 PolarHBondContact OD1-ND2 3.29Å; W522-N562 WeakPolarHBondContact CH2-ND2 3.3Å; N562-H564 PolarHBondContact O-N 2.94Å; N562-H564 VanDerWaalsContact O-N 3.13Å; N562-H564 PolarHBondContact OD1-CD2 2.8Å; N562-H564 PolarHBondContact OD1-CE1 2.81Å; N562-H564 PolarHBondContact OD1-ND1 3.16Å; N562-H564 PolarHBondContact OD1-NE2 3.41Å; N562-S565 VanDerWaalsContact CG-CB 3.44Å; N562-S565 VanDerWaalsContact CG-OG 3.24Å; N562-S565 WeakPolarHBondContact ND2-CB 3.29Å; N562-S565 PolarHBondContact ND2-OG 3.49Å; N562-S565 VanDerWaalsContact ND2-OG 3.08Å; N562-S565 PolarHBondContact O-N 3.24Å; N562-S565 WeakPolarHBondContact OD1-CB 3.4Å; N562-S565 PolarHBondContact OD1-N 2.88Å; N562-S565 PolarHBondContact OD1-OG 2.82Å; N562-E590 PolarHBondContact N-OE2 2.62Å |
| 563 | C | 90 | Very high | 93.1 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -59.5 | -30.5 | -170.1 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | L560 D561 S565 T566 A589 E590 L591 | L560-C563 HydrophobicContact CB-CB 3.98Å; D561-C563 PolarHBondContact O-N 3.09Å; D561-C563 VanDerWaalsContact O-N 3.15Å; C563-S565 VanDerWaalsContact C-N 3.25Å; C563-S565 PolarHBondContact O-N 2.87Å; C563-T566 PolarHBondContact O-N 2.65Å; C563-A589 HydrophobicContact CB-CB 3.92Å; C563-E590 WeakPolarHBondContact CB-O 3.47Å; C563-E590 PolarHBondContact N-O 3.28Å; C563-L591 HydrophobicContact CB-CD1 4.46Å |
| 564 | H | 86.1 | Confident | 93.1 | Very high | 24 Ų | 24 | 15.1 Ų | 15.1 | 11% | 0.111 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -67.4 | -21.5 | 176.4 | 57.8 | -81.6 | 0 | 0 | 0 | 113.5 | W496 P502 N562 L591 F592 | W496-H564 AromaticContact CD1-NE2 3.43Å; W496-H564 AromaticContact NE1-NE2 3.81Å; P502-H564 HydrophobicContact CB-CB 3.88Å; N562-H564 PolarHBondContact O-N 2.94Å; N562-H564 VanDerWaalsContact O-N 3.13Å; N562-H564 PolarHBondContact OD1-CD2 2.8Å; N562-H564 PolarHBondContact OD1-CE1 2.81Å; N562-H564 PolarHBondContact OD1-ND1 3.16Å; N562-H564 PolarHBondContact OD1-NE2 3.41Å; H564-L591 HydrophobicContact CB-CD1 4.09Å; H564-F592 AromaticContact CE1-CD2 3.95Å |
| 565 | S | 86.5 | Confident | 93 | Very high | 10 Ų | 10 | 14.9 Ų | 14.9 | 7% | 0.07 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -91.5 | -4.2 | 177 | -69.2 | 0 | 0 | 0 | 0 | 114.2 | K527 N562 C563 | K527-S565 PolarHBondContact NZ-O 3.21Å; N562-S565 VanDerWaalsContact CG-CB 3.44Å; N562-S565 VanDerWaalsContact CG-OG 3.24Å; N562-S565 WeakPolarHBondContact ND2-CB 3.29Å; N562-S565 PolarHBondContact ND2-OG 3.49Å; N562-S565 VanDerWaalsContact ND2-OG 3.08Å; N562-S565 PolarHBondContact O-N 3.24Å; N562-S565 WeakPolarHBondContact OD1-CB 3.4Å; N562-S565 PolarHBondContact OD1-N 2.88Å; N562-S565 PolarHBondContact OD1-OG 2.82Å; C563-S565 VanDerWaalsContact C-N 3.25Å; C563-S565 PolarHBondContact O-N 2.87Å |
| 566 | T | 89.7 | Confident | 92.8 | Very high | 7 Ų | 7 | 16.4 Ų | 16.4 | 4% | 0.043 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -97.8 | 126.4 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | F245 C563 L568 V570 A571 | F245-T566 HydrophobicContact CB-CG2 3.77Å; F245-T566 HydrophobicContact CD2-CG2 4.27Å; F245-T566 HydrophobicContact CG-CG2 4.5Å; C563-T566 PolarHBondContact O-N 2.65Å; T566-L568 PolarHBondContact O-N 3.13Å; T566-V570 HydrophobicContact CG2-CB 4.45Å; T566-V570 HydrophobicContact CG2-CG1 4.43Å; T566-A571 HydrophobicContact CG2-CB 4.02Å |
| 567 | P | 89.7 | Confident | 92.8 | Very high | 26 Ų | 26 | 18.8 Ų | 18.8 | 17% | 0.169 | 9% | 0.09 | C | C | . | . | trans | -55 | 134.5 | 176.1 | -25.5 | 34 | 0 | 0 | 0 | 111.9 | H569 V570 A571 | P567-H569 VanDerWaalsContact C-N 3.32Å; P567-H569 VanDerWaalsContact CB-CE1 3.48Å; P567-H569 WeakPolarHBondContact CB-CE1 3.41Å; P567-H569 PolarHBondContact O-N 3.13Å; P567-V570 HydrophobicContact CB-CB 4.41Å; P567-V570 HydrophobicContact CB-CG2 3.96Å; P567-V570 HydrophobicContact CG-CG2 4.36Å; P567-V570 WeakPolarHBondContact O-CB 3.41Å; P567-V570 PolarHBondContact O-N 3.23Å; P567-A571 PolarHBondContact O-N 3.31Å | ||
| 568 | L | 90.1 | Very high | 92.8 | Very high | 32 Ų | 32 | 18.8 Ų | 18.8 | 17% | 0.168 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | -167.8 | -164.5 | 62.5 | 0 | 0 | 0 | 112.8 | T566 V570 A571 Q572 F602 K605 L606 | T566-L568 PolarHBondContact O-N 3.13Å; L568-V570 VanDerWaalsContact C-N 3.31Å; L568-V570 PolarHBondContact O-N 2.8Å; L568-A571 PolarHBondContact O-N 3.05Å; L568-Q572 WeakPolarHBondContact O-CB 3.34Å; L568-Q572 VanDerWaalsContact O-CG 3.24Å; L568-Q572 WeakPolarHBondContact O-CG 3.42Å; L568-Q572 PolarHBondContact O-N 3.38Å; L568-F602 HydrophobicContact CD1-CD1 3.64Å; L568-F602 HydrophobicContact CD1-CE1 3.82Å; L568-F602 HydrophobicContact CD1-CG 4.25Å; L568-K605 HydrophobicContact CD1-CB 4.32Å; L568-K605 HydrophobicContact CD2-CB 4.09Å; L568-K605 HydrophobicContact CD2-CD 3.23Å; L568-K605 HydrophobicContact CD2-CG 4.29Å; L568-K605 HydrophobicContact CG-CB 4.25Å; L568-K605 HydrophobicContact CG-CD 4.12Å; L568-L606 HydrophobicContact CD1-CD1 4Å; L568-L606 HydrophobicContact CD1-CD2 3.83Å; L568-L606 HydrophobicContact CD1-CG 3.79Å |
| 569 | H | 90 | Very high | 92.6 | Very high | 62 Ų | 62 | 19.6 Ų | 19.6 | 29% | 0.287 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -66 | -33.5 | 176.9 | 66.1 | -69.3 | 0 | 0 | 0 | 112.7 | G531 D532 P567 Y573 | G531-H569 PolarHBondContact O-NE2 3.19Å; D532-H569 PolarHBondContact O-CD2 3.19Å; P567-H569 VanDerWaalsContact C-N 3.32Å; P567-H569 VanDerWaalsContact CB-CE1 3.48Å; P567-H569 WeakPolarHBondContact CB-CE1 3.41Å; P567-H569 PolarHBondContact O-N 3.13Å; H569-Y573 WeakPolarHBondContact O-CB 3.41Å; H569-Y573 PolarHBondContact O-N 3.12Å; H569-Y573 VanDerWaalsContact O-N 3.1Å |
| 570 | V | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.2 | -51.8 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | Y530 W541 T566 P567 L568 Q572 Y573 M574 | Y530-V570 HydrophobicContact CD1-CG1 3.61Å; Y530-V570 HydrophobicContact CD1-CG2 4.09Å; Y530-V570 HydrophobicContact CD2-CG1 3.98Å; Y530-V570 HydrophobicContact CD2-CG2 4.06Å; Y530-V570 HydrophobicContact CE1-CG1 3.58Å; Y530-V570 HydrophobicContact CE2-CG1 3.97Å; Y530-V570 HydrophobicContact CG-CB 4.39Å; Y530-V570 HydrophobicContact CG-CG1 3.81Å; Y530-V570 HydrophobicContact CG-CG2 3.65Å; W541-V570 HydrophobicContact CH2-CB 4.35Å; W541-V570 HydrophobicContact CH2-CG2 3.89Å; W541-V570 HydrophobicContact CZ2-CG2 3.84Å; T566-V570 HydrophobicContact CG2-CB 4.45Å; T566-V570 HydrophobicContact CG2-CG1 4.43Å; P567-V570 HydrophobicContact CB-CB 4.41Å; P567-V570 HydrophobicContact CB-CG2 3.96Å; P567-V570 HydrophobicContact CG-CG2 4.36Å; P567-V570 WeakPolarHBondContact O-CB 3.41Å; P567-V570 PolarHBondContact O-N 3.23Å; L568-V570 VanDerWaalsContact C-N 3.31Å; L568-V570 PolarHBondContact O-N 2.8Å; V570-Q572 VanDerWaalsContact C-N 3.28Å; V570-Q572 PolarHBondContact O-N 2.76Å; V570-Y573 PolarHBondContact O-N 3.17Å; V570-Y573 VanDerWaalsContact O-N 3.16Å; V570-M574 HydrophobicContact CG1-CE 4.24Å; V570-M574 HydrophobicContact CG1-CG 4.37Å; V570-M574 WeakPolarHBondContact O-CG 3.34Å; V570-M574 PolarHBondContact O-N 3.46Å |
| 571 | A | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.5 | -39.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T566 P567 L568 M574 I575 L606 | T566-A571 HydrophobicContact CG2-CB 4.02Å; P567-A571 PolarHBondContact O-N 3.31Å; L568-A571 PolarHBondContact O-N 3.05Å; A571-M574 PolarHBondContact O-N 2.77Å; A571-I575 WeakPolarHBondContact O-CB 3.23Å; A571-I575 WeakPolarHBondContact O-CG1 3.49Å; A571-I575 PolarHBondContact O-N 3.27Å; A571-L606 HydrophobicContact CB-CD1 4.14Å; A571-L606 HydrophobicContact CB-CD2 3.48Å; A571-L606 VanDerWaalsContact CB-CD2 3.48Å; A571-L606 HydrophobicContact CB-CG 4.47Å |
| 572 | Q | 93.4 | Very high | 92.3 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 13% | 0.126 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.8 | -51.2 | 173.5 | -78.2 | -176.4 | -49.5 | 0 | 0 | 112.1 | L568 V570 M574 I575 D576 K605 L606 | L568-Q572 WeakPolarHBondContact O-CB 3.34Å; L568-Q572 VanDerWaalsContact O-CG 3.24Å; L568-Q572 WeakPolarHBondContact O-CG 3.42Å; L568-Q572 PolarHBondContact O-N 3.38Å; V570-Q572 VanDerWaalsContact C-N 3.28Å; V570-Q572 PolarHBondContact O-N 2.76Å; Q572-M574 VanDerWaalsContact C-N 3.33Å; Q572-M574 PolarHBondContact O-N 2.85Å; Q572-I575 PolarHBondContact O-N 2.79Å; Q572-D576 WeakPolarHBondContact O-CB 3.42Å; Q572-D576 PolarHBondContact O-N 3.34Å; Q572-K605 WeakPolarHBondContact CG-O 3.39Å; Q572-K605 PolarHBondContact NE2-O 3.4Å; Q572-L606 HydrophobicContact CB-CD2 4.33Å; Q572-L606 HydrophobicContact CG-CD2 3.63Å |
| 573 | Y | 94.4 | Very high | 92.5 | Very high | 82 Ų | 82 | 32.5 Ų | 32.5 | 32% | 0.322 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 179.3 | 179.3 | -84.6 | 0 | 0 | 0 | 111.5 | W541 T545 H569 V570 D576 K577 | W541-Y573 AromaticContact CE3-CD1 3.9Å; W541-Y573 HydrophobicContact CE3-CD1 3.9Å; W541-Y573 HydrophobicContact CE3-CE1 4.08Å; W541-Y573 HydrophobicContact CE3-CG 4.25Å; W541-Y573 AromaticContact CZ3-CD1 3.62Å; W541-Y573 HydrophobicContact CZ3-CD1 3.62Å; W541-Y573 HydrophobicContact CZ3-CD2 4.08Å; W541-Y573 HydrophobicContact CZ3-CE1 4.21Å; W541-Y573 AromaticContact CZ3-CG 3.55Å; W541-Y573 HydrophobicContact CZ3-CG 3.55Å; T545-Y573 WeakPolarHBondContact OG1-CE1 3.33Å; H569-Y573 WeakPolarHBondContact O-CB 3.41Å; H569-Y573 PolarHBondContact O-N 3.12Å; H569-Y573 VanDerWaalsContact O-N 3.1Å; V570-Y573 PolarHBondContact O-N 3.17Å; V570-Y573 VanDerWaalsContact O-N 3.16Å; Y573-D576 PolarHBondContact O-N 3.22Å; Y573-K577 HydrophobicContact CD1-CG 4.13Å; Y573-K577 HydrophobicContact CE1-CD 4.43Å; Y573-K577 HydrophobicContact CE1-CG 3.78Å; Y573-K577 VanDerWaalsContact CZ-CE 3.41Å; Y573-K577 WeakPolarHBondContact O-CG 3.46Å; Y573-K577 PolarHBondContact O-N 2.93Å; Y573-K577 WeakPolarHBondContact OH-CE 3.45Å |
| 574 | M | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | -179.5 | -63.4 | -56.4 | 170.9 | 0 | 0 | 111.5 | F245 Y530 W541 M544 T548 V570 A571 Q572 D576 K577 A578 | F245-M574 HydrophobicContact CD1-CG 4.42Å; F245-M574 HydrophobicContact CD2-CG 4.48Å; F245-M574 HydrophobicContact CE1-CB 4.19Å; F245-M574 HydrophobicContact CE1-CG 3.99Å; F245-M574 HydrophobicContact CE2-CB 3.68Å; F245-M574 HydrophobicContact CE2-CG 4.04Å; F245-M574 HydrophobicContact CZ-CB 3.46Å; F245-M574 VanDerWaalsContact CZ-CB 3.46Å; F245-M574 HydrophobicContact CZ-CG 3.75Å; Y530-M574 HydrophobicContact CE1-CE 3.96Å; W541-M574 HydrophobicContact CE3-CE 4.1Å; W541-M574 HydrophobicContact CZ3-CE 4.48Å; M544-M574 HydrophobicContact CB-CE 3.5Å; M544-M574 VanDerWaalsContact CB-CE 3.5Å; M544-M574 HydrophobicContact CB-SD 4.21Å; T548-M574 HydrophobicContact CG2-CB 4.2Å; T548-M574 WeakPolarHBondContact CG2-O 3.47Å; V570-M574 HydrophobicContact CG1-CE 4.24Å; V570-M574 HydrophobicContact CG1-CG 4.37Å; V570-M574 WeakPolarHBondContact O-CG 3.34Å; V570-M574 PolarHBondContact O-N 3.46Å; A571-M574 PolarHBondContact O-N 2.77Å; Q572-M574 VanDerWaalsContact C-N 3.33Å; Q572-M574 PolarHBondContact O-N 2.85Å; M574-D576 VanDerWaalsContact C-N 3.3Å; M574-D576 PolarHBondContact O-N 3.2Å; M574-K577 WeakPolarHBondContact O-CB 3.37Å; M574-K577 PolarHBondContact O-N 3.43Å; M574-K577 VanDerWaalsContact O-N 3.16Å; M574-A578 PolarHBondContact O-N 2.87Å |
| 575 | I | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.1 | -35.1 | 176.9 | -67 | -58.4 | 0 | 0 | 0 | 112 | V558 L560 A571 Q572 K577 A578 R579 V587 L606 | V558-I575 HydrophobicContact CG2-CD1 4.37Å; L560-I575 HydrophobicContact CD1-CD1 4.22Å; L560-I575 HydrophobicContact CD1-CG1 4.3Å; L560-I575 HydrophobicContact CD2-CD1 3.96Å; L560-I575 HydrophobicContact CG-CD1 4.42Å; A571-I575 WeakPolarHBondContact O-CB 3.23Å; A571-I575 WeakPolarHBondContact O-CG1 3.49Å; A571-I575 PolarHBondContact O-N 3.27Å; Q572-I575 PolarHBondContact O-N 2.79Å; I575-K577 VanDerWaalsContact C-N 3.34Å; I575-K577 PolarHBondContact O-N 3.49Å; I575-A578 WeakPolarHBondContact O-CB 3.49Å; I575-A578 PolarHBondContact O-N 3.08Å; I575-R579 HydrophobicContact CG2-CG 4.4Å; I575-R579 WeakPolarHBondContact O-CB 3.33Å; I575-R579 PolarHBondContact O-N 3.05Å; I575-V587 HydrophobicContact CD1-CG1 3.85Å; I575-V587 HydrophobicContact CD1-CG2 4.2Å; I575-V587 HydrophobicContact CG2-CG2 4.43Å; I575-L606 WeakPolarHBondContact CG2-O 3.45Å |
| 576 | D | 94.5 | Very high | 93.4 | Very high | 34 Ų | 34 | 33.1 Ų | 33.1 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 174.5 | -71.4 | -11.6 | 0 | 0 | 0 | 111.4 | R57 Q572 Y573 M574 R579 A580 | R57-D576 IonicContact CZ-OD1 3.76Å; R57-D576 IonicContact CZ-OD2 3.75Å; R57-D576 IonicContact NE-OD1 3.18Å; R57-D576 PolarHBondContact NE-OD1 3.18Å; R57-D576 IonicContact NE-OD2 2.77Å; R57-D576 PolarHBondContact NE-OD2 3.31Å; R57-D576 IonicContact NH2-OD1 3.41Å; R57-D576 PolarHBondContact NH2-OD1 2.85Å; R57-D576 IonicContact NH2-OD2 3.55Å; Q572-D576 WeakPolarHBondContact O-CB 3.42Å; Q572-D576 PolarHBondContact O-N 3.34Å; Y573-D576 PolarHBondContact O-N 3.22Å; M574-D576 VanDerWaalsContact C-N 3.3Å; M574-D576 PolarHBondContact O-N 3.2Å; D576-R579 PolarHBondContact O-N 3.3Å; D576-A580 WeakPolarHBondContact O-CB 3.48Å; D576-A580 PolarHBondContact O-N 2.67Å |
| 577 | K | 95.7 | Very high | 93.7 | Very high | 64 Ų | 64 | 32.8 Ų | 32.8 | 28% | 0.278 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 172.5 | -67.1 | -67.3 | -172.9 | 170.4 | 0 | 112.2 | T545 E549 Y573 M574 I575 R579 A580 I581 | T545-K577 HydrophobicContact CG2-CD 4.11Å; T545-K577 HydrophobicContact CG2-CG 4.07Å; E549-K577 HydrophobicContact CG-CB 4.23Å; Y573-K577 HydrophobicContact CD1-CG 4.13Å; Y573-K577 HydrophobicContact CE1-CD 4.43Å; Y573-K577 HydrophobicContact CE1-CG 3.78Å; Y573-K577 VanDerWaalsContact CZ-CE 3.41Å; Y573-K577 WeakPolarHBondContact O-CG 3.46Å; Y573-K577 PolarHBondContact O-N 2.93Å; Y573-K577 WeakPolarHBondContact OH-CE 3.45Å; M574-K577 WeakPolarHBondContact O-CB 3.37Å; M574-K577 PolarHBondContact O-N 3.43Å; M574-K577 VanDerWaalsContact O-N 3.16Å; I575-K577 VanDerWaalsContact C-N 3.34Å; I575-K577 PolarHBondContact O-N 3.49Å; K577-R579 PolarHBondContact O-N 3.41Å; K577-A580 PolarHBondContact O-N 2.73Å; K577-I581 PolarHBondContact O-N 2.78Å |
| 578 | A | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T548 A552 M574 I575 I581 R582 L585 | T548-A578 HydrophobicContact CG2-CB 3.69Å; A552-A578 HydrophobicContact CB-CB 3.81Å; A552-A578 WeakPolarHBondContact CB-O 3.44Å; M574-A578 PolarHBondContact O-N 2.87Å; I575-A578 WeakPolarHBondContact O-CB 3.49Å; I575-A578 PolarHBondContact O-N 3.08Å; A578-I581 PolarHBondContact O-N 2.87Å; A578-R582 PolarHBondContact O-N 3.09Å; A578-L585 HydrophobicContact CB-CD2 3.44Å; A578-L585 VanDerWaalsContact CB-CD2 3.44Å |
| 579 | R | 93.8 | Very high | 94.3 | Very high | 18 Ų | 18 | 30 Ų | 30 | 7% | 0.068 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.4 | -28.9 | 179.6 | -78.4 | -172.3 | 165.8 | 144.6 | 6.6 | 114 | I575 D576 K577 I581 R582 P583 L585 G607 | I575-R579 HydrophobicContact CG2-CG 4.4Å; I575-R579 WeakPolarHBondContact O-CB 3.33Å; I575-R579 PolarHBondContact O-N 3.05Å; D576-R579 PolarHBondContact O-N 3.3Å; K577-R579 PolarHBondContact O-N 3.41Å; R579-I581 PolarHBondContact O-N 3.48Å; R579-R582 WeakPolarHBondContact CA-O 3.15Å; R579-R582 CarbonylContact O-C 3.43Å; R579-R582 PolarHBondContact O-N 3.2Å; R579-P583 WeakPolarHBondContact O-CA 3.46Å; R579-P583 VanDerWaalsContact O-N 3.09Å; R579-L585 HydrophobicContact CG-CB 4.32Å; R579-L585 HydrophobicContact CG-CD2 4.49Å; R579-G607 PolarHBondContact NH2-O 3.09Å |
| 580 | A | 93.2 | Very high | 94.2 | Very high | 76 Ų | 76 | 28.4 Ų | 28.4 | 63% | 0.628 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -61 | -33.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D576 K577 | D576-A580 WeakPolarHBondContact O-CB 3.48Å; D576-A580 PolarHBondContact O-N 2.67Å; K577-A580 PolarHBondContact O-N 2.73Å |
| 581 | I | 95 | Very high | 93.8 | Very high | 81 Ų | 81 | 28.5 Ų | 28.5 | 42% | 0.415 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -80.6 | -44.3 | 173.9 | -59.6 | -60.1 | 0 | 0 | 0 | 111.5 | E549 A552 K553 K577 A578 R579 | E549-I581 HydrophobicContact CB-CG1 4.25Å; E549-I581 HydrophobicContact CG-CG1 4.23Å; A552-I581 HydrophobicContact CB-CB 4.2Å; A552-I581 HydrophobicContact CB-CG2 4.36Å; K553-I581 HydrophobicContact CB-CG2 3.94Å; K577-I581 PolarHBondContact O-N 2.78Å; A578-I581 PolarHBondContact O-N 2.87Å; R579-I581 PolarHBondContact O-N 3.48Å |
| 582 | R | 92.7 | Very high | 93 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 25% | 0.249 | 17% | 0.174 | C | C | . | . | trans | -129 | 92 | -178.6 | -171.9 | 170.5 | -68.9 | -97.6 | 5.6 | 111 | A552 K553 F555 H556 A578 R579 N584 L585 | A552-R582 PolarHBondContact O-NE 3.22Å; K553-R582 PolarHBondContact O-NH2 3.35Å; F555-R582 WeakPolarHBondContact O-CD 3.46Å; F555-R582 PolarHBondContact O-NE 3.15Å; H556-R582 PolarHBondContact CD2-NH1 3.26Å; H556-R582 VanDerWaalsContact CD2-NH1 3.31Å; A578-R582 PolarHBondContact O-N 3.09Å; R579-R582 WeakPolarHBondContact CA-O 3.15Å; R579-R582 CarbonylContact O-C 3.43Å; R579-R582 PolarHBondContact O-N 3.2Å; R582-N584 PolarHBondContact O-N 2.71Å; R582-L585 HydrophobicContact CB-CB 4.32Å; R582-L585 HydrophobicContact CG-CB 4.3Å; R582-L585 VanDerWaalsContact O-CB 3.26Å; R582-L585 WeakPolarHBondContact O-CB 3.49Å; R582-L585 PolarHBondContact O-N 3.06Å; R582-L585 VanDerWaalsContact O-N 3.08Å | ||
| 583 | P | 90.7 | Very high | 92.2 | Very high | 71 Ų | 71 | 33.8 Ų | 33.8 | 46% | 0.461 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -12.8 | -178.4 | -26.2 | 35 | 0 | 0 | 0 | 115.7 | C90 R579 | C90-P583 PolarHBondContact N-O 3.08Å; C90-P583 PolarHBondContact SG-O 3.29Å; R579-P583 WeakPolarHBondContact O-CA 3.46Å; R579-P583 VanDerWaalsContact O-N 3.09Å |
| 584 | N | 91.2 | Very high | 91.1 | Very high | 49 Ų | 49 | 34.3 Ų | 34.3 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 28 | 177.2 | -160.1 | 33.5 | 0 | 0 | 0 | 112.7 | K25 C90 P127 D128 R582 Y586 | K25-N584 WeakPolarHBondContact CE-OD1 3.49Å; K25-N584 PolarHBondContact NZ-OD1 3.4Å; C90-N584 WeakPolarHBondContact SG-CA 3.39Å; P127-N584 WeakPolarHBondContact CA-OD1 3.37Å; P127-N584 WeakPolarHBondContact CB-OD1 3.38Å; D128-N584 PolarHBondContact O-ND2 2.66Å; D128-N584 PolarHBondContact OD1-ND2 2.97Å; D128-N584 PolarHBondContact OD1-OD1 2.93Å; R582-N584 PolarHBondContact O-N 2.71Å; N584-Y586 PolarHBondContact O-N 2.88Å |
| 585 | L | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -67.5 | 126.6 | -175.8 | -177.5 | 69.3 | 0 | 0 | 0 | 111.7 | V558 A578 R579 R582 V587 | V558-L585 HydrophobicContact CG1-CD1 4.25Å; V558-L585 HydrophobicContact CG2-CD1 4.36Å; V558-L585 HydrophobicContact CG2-CD2 3.92Å; V558-L585 HydrophobicContact CG2-CG 4.23Å; A578-L585 HydrophobicContact CB-CD2 3.44Å; A578-L585 VanDerWaalsContact CB-CD2 3.44Å; R579-L585 HydrophobicContact CG-CB 4.32Å; R579-L585 HydrophobicContact CG-CD2 4.49Å; R582-L585 HydrophobicContact CB-CB 4.32Å; R582-L585 HydrophobicContact CG-CB 4.3Å; R582-L585 VanDerWaalsContact O-CB 3.26Å; R582-L585 WeakPolarHBondContact O-CB 3.49Å; R582-L585 PolarHBondContact O-N 3.06Å; R582-L585 VanDerWaalsContact O-N 3.08Å; L585-V587 HydrophobicContact CD2-CG2 3.95Å; L585-V587 HydrophobicContact CG-CG2 3.99Å | ||
| 586 | Y | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 115.9 | 171.7 | 177.7 | -142.1 | 0 | 0 | 0 | 110.7 | P127 F129 L149 V152 M182 H556 A557 V558 N584 V588 S609 S610 V657 | P127-Y586 HydrophobicContact CG-CD2 4.05Å; F129-Y586 HydrophobicContact CE1-CD1 4.35Å; F129-Y586 HydrophobicContact CE1-CG 4.11Å; F129-Y586 AromaticContact CZ-CD1 3.83Å; F129-Y586 HydrophobicContact CZ-CD1 3.83Å; F129-Y586 HydrophobicContact CZ-CD2 4.07Å; F129-Y586 HydrophobicContact CZ-CE1 4.45Å; F129-Y586 AromaticContact CZ-CG 3.63Å; F129-Y586 HydrophobicContact CZ-CG 3.63Å; L149-Y586 HydrophobicContact CD2-CD2 3.58Å; L149-Y586 HydrophobicContact CD2-CE2 3.24Å; V152-Y586 HydrophobicContact CG1-CE1 4.43Å; V152-Y586 HydrophobicContact CG2-CE1 4.38Å; M182-Y586 HydrophobicContact CE-CD1 4.06Å; M182-Y586 HydrophobicContact CE-CE1 4.49Å; M182-Y586 HydrophobicContact SD-CD1 4.19Å; M182-Y586 HydrophobicContact SD-CE1 4.32Å; H556-Y586 PolarHBondContact O-N 3.04Å; A557-Y586 CarbonylContact C-O 3.32Å; A557-Y586 WeakPolarHBondContact CA-O 3.23Å; A557-Y586 HydrophobicContact CB-CD1 3.68Å; A557-Y586 HydrophobicContact CB-CG 4.09Å; A557-Y586 WeakPolarHBondContact CB-O 3.35Å; V558-Y586 PolarHBondContact N-O 2.82Å; N584-Y586 PolarHBondContact O-N 2.88Å; Y586-V588 HydrophobicContact CD1-CG2 4.15Å; Y586-V588 HydrophobicContact CD2-CG2 4.37Å; Y586-V588 HydrophobicContact CE1-CG2 3.62Å; Y586-V588 HydrophobicContact CE2-CG2 3.84Å; Y586-V588 HydrophobicContact CG-CG2 4.49Å; Y586-V588 VanDerWaalsContact CZ-CG2 3.45Å; Y586-S609 VanDerWaalsContact CE2-CB 3.42Å; Y586-S610 WeakPolarHBondContact CE2-OG 3.34Å; Y586-S610 WeakPolarHBondContact OH-CB 3.25Å; Y586-S610 PolarHBondContact OH-OG 3.47Å; Y586-V657 WeakPolarHBondContact OH-CG2 3.34Å |
| 587 | V | 96.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 117.1 | -175.1 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | V558 L560 I575 L585 L608 S609 S610 | V558-V587 HydrophobicContact CG2-CB 4.44Å; V558-V587 HydrophobicContact CG2-CG1 4.22Å; V558-V587 HydrophobicContact CG2-CG2 4.1Å; L560-V587 HydrophobicContact CD1-CG1 4.25Å; L560-V587 HydrophobicContact CG-CG1 4.24Å; I575-V587 HydrophobicContact CD1-CG1 3.85Å; I575-V587 HydrophobicContact CD1-CG2 4.2Å; I575-V587 HydrophobicContact CG2-CG2 4.43Å; L585-V587 HydrophobicContact CD2-CG2 3.95Å; L585-V587 HydrophobicContact CG-CG2 3.99Å; V587-L608 HydrophobicContact CG1-CD2 3.65Å; V587-S609 PolarHBondContact N-OG 2.67Å; V587-S609 WeakPolarHBondContact O-CA 3.16Å; V587-S609 WeakPolarHBondContact O-CB 3.22Å; V587-S609 PolarHBondContact O-N 3.06Å; V587-S610 PolarHBondContact O-N 3.46Å |
| 588 | V | 96.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 144.9 | 176.4 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | M240 V558 R559 L560 Y586 S610 I612 V657 | M240-V588 HydrophobicContact SD-CB 4.15Å; M240-V588 HydrophobicContact SD-CG2 3.88Å; V558-V588 PolarHBondContact O-N 3.02Å; R559-V588 CarbonylContact C-O 3.4Å; R559-V588 VanDerWaalsContact CA-O 3.31Å; R559-V588 WeakPolarHBondContact CA-O 3.36Å; L560-V588 PolarHBondContact N-O 2.79Å; Y586-V588 HydrophobicContact CD1-CG2 4.15Å; Y586-V588 HydrophobicContact CD2-CG2 4.37Å; Y586-V588 HydrophobicContact CE1-CG2 3.62Å; Y586-V588 HydrophobicContact CE2-CG2 3.84Å; Y586-V588 HydrophobicContact CG-CG2 4.49Å; Y586-V588 VanDerWaalsContact CZ-CG2 3.45Å; V588-S610 VanDerWaalsContact CA-O 3.31Å; V588-S610 WeakPolarHBondContact CA-O 3.45Å; V588-I612 HydrophobicContact CG1-CD1 4.19Å; V588-I612 HydrophobicContact CG1-CG1 3.68Å; V588-V657 HydrophobicContact CG1-CG2 3.94Å; V588-V657 HydrophobicContact CG2-CG2 4.14Å |
| 589 | A | 94.4 | Very high | 89 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L560 C563 L591 L608 S610 L611 I612 | L560-A589 HydrophobicContact CB-CB 4.18Å; C563-A589 HydrophobicContact CB-CB 3.92Å; A589-L591 HydrophobicContact CB-CB 4.49Å; A589-L608 HydrophobicContact CB-CD1 3.66Å; A589-L608 HydrophobicContact CB-CD2 3.94Å; A589-L608 HydrophobicContact CB-CG 4.37Å; A589-S610 PolarHBondContact N-O 2.73Å; A589-S610 VanDerWaalsContact N-O 3.09Å; A589-L611 HydrophobicContact CB-CD2 4.18Å; A589-I612 PolarHBondContact O-N 2.85Å; A589-I612 VanDerWaalsContact O-N 3.11Å |
| 590 | E | 88.2 | Confident | 89 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 13% | 0.131 | 25% | 0.251 | C | S | . | . | trans | -82.7 | 106.5 | 158.2 | -176.5 | -167.1 | -177.1 | 0 | 0 | 108.8 | R559 L560 N562 C563 F592 I612 | R559-E590 IonicContact CZ-OE2 2.73Å; R559-E590 IonicContact NH1-OE2 2.8Å; R559-E590 IonicContact NH2-OE2 3.2Å; R559-E590 PolarHBondContact NH2-OE2 2.59Å; L560-E590 PolarHBondContact O-N 3.38Å; N562-E590 PolarHBondContact N-OE2 2.62Å; C563-E590 WeakPolarHBondContact CB-O 3.47Å; C563-E590 PolarHBondContact N-O 3.28Å; E590-F592 HydrophobicContact CG-CD2 4.33Å; E590-F592 HydrophobicContact CG-CE2 3.6Å; E590-F592 HydrophobicContact CG-CZ 4.12Å; E590-F592 WeakPolarHBondContact OE1-CE2 3.49Å; E590-I612 HydrophobicContact CB-CD1 4.31Å | ||
| 591 | L | 86.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | trans | -137 | 118.9 | -173 | -171.8 | 68.8 | 0 | 0 | 0 | 110.8 | C563 H564 A589 T593 D599 F602 L608 L611 R613 | C563-L591 HydrophobicContact CB-CD1 4.46Å; H564-L591 HydrophobicContact CB-CD1 4.09Å; A589-L591 HydrophobicContact CB-CB 4.49Å; L591-T593 HydrophobicContact CD1-CG2 3.66Å; L591-T593 HydrophobicContact CD2-CG2 4Å; L591-T593 HydrophobicContact CG-CG2 3.63Å; L591-D599 HydrophobicContact CD2-CB 4.32Å; L591-D599 WeakPolarHBondContact CD2-OD1 3.39Å; L591-F602 HydrophobicContact CD1-CB 4.34Å; L591-F602 HydrophobicContact CD1-CD1 3.82Å; L591-F602 HydrophobicContact CD1-CD2 4.1Å; L591-F602 HydrophobicContact CD1-CE1 4.09Å; L591-F602 HydrophobicContact CD1-CE2 4.35Å; L591-F602 HydrophobicContact CD1-CG 3.83Å; L591-F602 HydrophobicContact CD1-CZ 4.35Å; L591-F602 HydrophobicContact CD2-CB 3.55Å; L591-F602 HydrophobicContact CD2-CD2 4.31Å; L591-F602 HydrophobicContact CD2-CG 3.91Å; L591-L608 HydrophobicContact CD2-CD1 4.42Å; L591-L611 HydrophobicContact CB-CD2 3.97Å; L591-L611 HydrophobicContact CD2-CD1 4.23Å; L591-L611 HydrophobicContact CD2-CD2 4.01Å; L591-R613 PolarHBondContact O-NH1 3.23Å | ||
| 592 | F | 77.3 | Confident | 88.8 | Confident | 120 Ų | 120 | 35.8 Ų | 35.8 | 53% | 0.526 | 20% | 0.204 | S | C | . | . | trans | -122.6 | 90.5 | 177.1 | -55.5 | -71.4 | 0 | 0 | 0 | 109.2 | H564 E590 | H564-F592 AromaticContact CE1-CD2 3.95Å; E590-F592 HydrophobicContact CG-CD2 4.33Å; E590-F592 HydrophobicContact CG-CE2 3.6Å; E590-F592 HydrophobicContact CG-CZ 4.12Å; E590-F592 WeakPolarHBondContact OE1-CE2 3.49Å | ||
| 593 | T | 75.7 | Confident | 88.9 | Confident | 19 Ų | 19 | 33 Ų | 33 | 12% | 0.117 | 19% | 0.194 | C | C | . | . | trans | -105.2 | 0.4 | -176.4 | 65.6 | 0 | 0 | 0 | 0 | 114 | P502 L591 G595 V598 D599 F602 | P502-T593 HydrophobicContact CB-CG2 4.22Å; P502-T593 HydrophobicContact CG-CG2 3.73Å; L591-T593 HydrophobicContact CD1-CG2 3.66Å; L591-T593 HydrophobicContact CD2-CG2 4Å; L591-T593 HydrophobicContact CG-CG2 3.63Å; T593-G595 PolarHBondContact O-N 3.4Å; T593-G595 VanDerWaalsContact O-N 3.15Å; T593-G595 PolarHBondContact OG1-O 2.93Å; T593-V598 HydrophobicContact CG2-CB 4.22Å; T593-V598 HydrophobicContact CG2-CG1 3.7Å; T593-D599 WeakPolarHBondContact CB-OD1 3.4Å; T593-D599 VanDerWaalsContact CG2-OD1 3.3Å; T593-D599 WeakPolarHBondContact CG2-OD1 3.47Å; T593-D599 VanDerWaalsContact OG1-CG 3.26Å; T593-D599 PolarHBondContact OG1-N 3.41Å; T593-D599 PolarHBondContact OG1-OD1 2.88Å; T593-F602 HydrophobicContact CG2-CD2 4.06Å; T593-F602 HydrophobicContact CG2-CE2 4.1Å | ||
| 594 | G | 71.9 | Confident | 89.1 | Confident | 93 Ų | 93 | 29.6 Ų | 29.6 | 96% | 0.959 | 17% | 0.172 | S | C | * | . | S | Bend | trans | 72.8 | -6.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 595 | G | 81.6 | Confident | 89.1 | Confident | 33 Ų | 33 | 29.1 Ų | 29.1 | 34% | 0.34 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -165.4 | 147 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T593 Y597 V598 D599 | T593-G595 PolarHBondContact O-N 3.4Å; T593-G595 VanDerWaalsContact O-N 3.15Å; T593-G595 PolarHBondContact OG1-O 2.93Å; G595-Y597 VanDerWaalsContact C-N 3.29Å; G595-Y597 PolarHBondContact O-N 3.28Å; G595-V598 PolarHBondContact O-N 2.83Å; G595-D599 PolarHBondContact O-N 2.73Å; G595-D599 VanDerWaalsContact O-N 3.13Å |
| 596 | E | 84.1 | Confident | 89.1 | Confident | 70 Ų | 70 | 29.1 Ų | 29.1 | 33% | 0.327 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.3 | -34.1 | -175.6 | -175.9 | 168.1 | 177.7 | 0 | 0 | 113.5 | V598 D599 N600 R630 | E596-V598 VanDerWaalsContact C-N 3.33Å; E596-V598 PolarHBondContact O-N 3.48Å; E596-D599 PolarHBondContact O-N 2.97Å; E596-N600 WeakPolarHBondContact O-CB 3.49Å; E596-N600 PolarHBondContact O-N 3Å; E596-N600 PolarHBondContact O-ND2 2.9Å; E596-N600 PolarHBondContact O-OD1 3.12Å; E596-R630 IonicContact OE2-NH2 3.54Å; E596-R630 PolarHBondContact OE2-NH2 2.88Å |
| 597 | Y | 89.7 | Confident | 89 | Confident | 139 Ų | 139 | 29.2 Ų | 29.2 | 55% | 0.545 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 177.3 | -177.7 | -93.5 | 0 | 0 | 0 | 111.9 | G595 N600 I601 | G595-Y597 VanDerWaalsContact C-N 3.29Å; G595-Y597 PolarHBondContact O-N 3.28Å; Y597-N600 PolarHBondContact O-N 2.83Å; Y597-I601 HydrophobicContact CD1-CD1 4.06Å; Y597-I601 HydrophobicContact CE1-CD1 3.7Å; Y597-I601 HydrophobicContact CE1-CG1 4.41Å; Y597-I601 WeakPolarHBondContact O-CG1 3.47Å; Y597-I601 PolarHBondContact O-N 3.27Å |
| 598 | V | 88.9 | Confident | 88.8 | Confident | 31 Ų | 31 | 29.3 Ų | 29.3 | 19% | 0.188 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75.5 | -39.5 | -178.9 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | P502 L503 T593 G595 E596 N600 I601 F602 | P502-V598 HydrophobicContact CG-CG1 3.83Å; L503-V598 HydrophobicContact CD1-CG1 4.42Å; L503-V598 HydrophobicContact CD2-CG1 4.49Å; L503-V598 HydrophobicContact CG-CG1 4.25Å; T593-V598 HydrophobicContact CG2-CB 4.22Å; T593-V598 HydrophobicContact CG2-CG1 3.7Å; G595-V598 PolarHBondContact O-N 2.83Å; E596-V598 VanDerWaalsContact C-N 3.33Å; E596-V598 PolarHBondContact O-N 3.48Å; V598-N600 PolarHBondContact O-N 3.31Å; V598-I601 WeakPolarHBondContact O-CB 3.31Å; V598-I601 PolarHBondContact O-N 3.2Å; V598-I601 VanDerWaalsContact O-N 3.08Å; V598-F602 HydrophobicContact CG1-CD2 4.3Å; V598-F602 HydrophobicContact CG1-CE2 4.17Å; V598-F602 WeakPolarHBondContact O-CD2 3.23Å; V598-F602 PolarHBondContact O-N 2.88Å |
| 599 | D | 90.4 | Very high | 88.7 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -51.3 | -45.2 | 169.7 | -82.8 | -5.4 | 0 | 0 | 0 | 110.8 | L591 T593 G595 E596 I601 F602 I603 L611 R613 | L591-D599 HydrophobicContact CD2-CB 4.32Å; L591-D599 WeakPolarHBondContact CD2-OD1 3.39Å; T593-D599 WeakPolarHBondContact CB-OD1 3.4Å; T593-D599 VanDerWaalsContact CG2-OD1 3.3Å; T593-D599 WeakPolarHBondContact CG2-OD1 3.47Å; T593-D599 VanDerWaalsContact OG1-CG 3.26Å; T593-D599 PolarHBondContact OG1-N 3.41Å; T593-D599 PolarHBondContact OG1-OD1 2.88Å; G595-D599 PolarHBondContact O-N 2.73Å; G595-D599 VanDerWaalsContact O-N 3.13Å; E596-D599 PolarHBondContact O-N 2.97Å; D599-I601 VanDerWaalsContact C-N 3.33Å; D599-I601 PolarHBondContact O-N 3.48Å; D599-F602 PolarHBondContact O-N 3.03Å; D599-I603 WeakPolarHBondContact O-CG1 3.21Å; D599-I603 PolarHBondContact O-N 3.49Å; D599-L611 HydrophobicContact CB-CD1 4.02Å; D599-R613 IonicContact OD2-NH2 3.81Å; D599-R613 PolarHBondContact OD2-NH2 3.31Å |
| 600 | N | 93.4 | Very high | 88.7 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -33.2 | -179 | -67.1 | -12.5 | 0 | 0 | 0 | 113 | G18 L20 E596 Y597 V598 I603 N604 | G18-N600 VanDerWaalsContact C-CB 3.48Å; G18-N600 WeakPolarHBondContact O-CB 3.31Å; G18-N600 PolarHBondContact O-ND2 3.23Å; L20-N600 WeakPolarHBondContact CD1-OD1 3.33Å; L20-N600 HydrophobicContact CD2-CB 3.82Å; L20-N600 HydrophobicContact CG-CB 4Å; L20-N600 VanDerWaalsContact CG-OD1 3.29Å; L20-N600 WeakPolarHBondContact CG-OD1 3.45Å; E596-N600 WeakPolarHBondContact O-CB 3.49Å; E596-N600 PolarHBondContact O-N 3Å; E596-N600 PolarHBondContact O-ND2 2.9Å; E596-N600 PolarHBondContact O-OD1 3.12Å; Y597-N600 PolarHBondContact O-N 2.83Å; V598-N600 PolarHBondContact O-N 3.31Å; N600-I603 PolarHBondContact O-N 3.01Å; N600-N604 VanDerWaalsContact O-CB 3.27Å; N600-N604 WeakPolarHBondContact O-CB 3.32Å; N600-N604 PolarHBondContact O-N 2.89Å; N600-N604 PolarHBondContact O-ND2 2.96Å |
| 601 | I | 92.3 | Very high | 89 | Confident | 9 Ų | 9 | 28.4 Ų | 28.4 | 5% | 0.046 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 173.8 | -64.4 | 173.1 | 0 | 0 | 0 | 110.3 | E17 L503 Y597 V598 D599 N604 K605 | E17-I601 HydrophobicContact CG-CG1 4.13Å; E17-I601 HydrophobicContact CG-CG2 4.36Å; L503-I601 HydrophobicContact CD1-CD1 4.41Å; L503-I601 HydrophobicContact CD2-CG2 4.35Å; Y597-I601 HydrophobicContact CD1-CD1 4.06Å; Y597-I601 HydrophobicContact CE1-CD1 3.7Å; Y597-I601 HydrophobicContact CE1-CG1 4.41Å; Y597-I601 WeakPolarHBondContact O-CG1 3.47Å; Y597-I601 PolarHBondContact O-N 3.27Å; V598-I601 WeakPolarHBondContact O-CB 3.31Å; V598-I601 PolarHBondContact O-N 3.2Å; V598-I601 VanDerWaalsContact O-N 3.08Å; D599-I601 VanDerWaalsContact C-N 3.33Å; D599-I601 PolarHBondContact O-N 3.48Å; I601-N604 PolarHBondContact O-N 2.73Å; I601-K605 HydrophobicContact CG2-CD 4.01Å; I601-K605 VanDerWaalsContact O-CB 3.32Å; I601-K605 WeakPolarHBondContact O-CB 3.39Å; I601-K605 PolarHBondContact O-N 3.17Å |
| 602 | F | 92.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 177.7 | -85 | -97 | 0 | 0 | 0 | 111.2 | P502 L503 L568 L591 T593 V598 D599 N604 K605 L606 L608 | P502-F602 HydrophobicContact CB-CE2 4.18Å; P502-F602 HydrophobicContact CB-CZ 4.18Å; P502-F602 HydrophobicContact CG-CE2 4.27Å; P502-F602 WeakPolarHBondContact O-CZ 3.49Å; L503-F602 HydrophobicContact CD2-CD2 4.31Å; L503-F602 HydrophobicContact CD2-CE2 3.59Å; L503-F602 HydrophobicContact CD2-CZ 4.15Å; L503-F602 HydrophobicContact CG-CE2 4.43Å; L568-F602 HydrophobicContact CD1-CD1 3.64Å; L568-F602 HydrophobicContact CD1-CE1 3.82Å; L568-F602 HydrophobicContact CD1-CG 4.25Å; L591-F602 HydrophobicContact CD1-CB 4.34Å; L591-F602 HydrophobicContact CD1-CD1 3.82Å; L591-F602 HydrophobicContact CD1-CD2 4.1Å; L591-F602 HydrophobicContact CD1-CE1 4.09Å; L591-F602 HydrophobicContact CD1-CE2 4.35Å; L591-F602 HydrophobicContact CD1-CG 3.83Å; L591-F602 HydrophobicContact CD1-CZ 4.35Å; L591-F602 HydrophobicContact CD2-CB 3.55Å; L591-F602 HydrophobicContact CD2-CD2 4.31Å; L591-F602 HydrophobicContact CD2-CG 3.91Å; T593-F602 HydrophobicContact CG2-CD2 4.06Å; T593-F602 HydrophobicContact CG2-CE2 4.1Å; V598-F602 HydrophobicContact CG1-CD2 4.3Å; V598-F602 HydrophobicContact CG1-CE2 4.17Å; V598-F602 WeakPolarHBondContact O-CD2 3.23Å; V598-F602 PolarHBondContact O-N 2.88Å; D599-F602 PolarHBondContact O-N 3.03Å; F602-N604 PolarHBondContact O-N 2.68Å; F602-K605 PolarHBondContact O-N 2.85Å; F602-L606 HydrophobicContact CD1-CD1 4.06Å; F602-L606 VanDerWaalsContact O-CB 3.29Å; F602-L606 WeakPolarHBondContact O-CB 3.48Å; F602-L606 WeakPolarHBondContact O-CG 3.42Å; F602-L606 PolarHBondContact O-N 3.16Å; F602-L608 HydrophobicContact CB-CD1 4.29Å |
| 603 | I | 94.3 | Very high | 90 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.036 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.3 | -49.7 | 178.2 | -66.4 | 165.9 | 0 | 0 | 0 | 110.4 | L20 I124 D599 N600 G607 L608 L611 S654 | L20-I603 HydrophobicContact CD1-CD1 3.75Å; L20-I603 HydrophobicContact CD1-CG2 4.14Å; L20-I603 HydrophobicContact CD2-CB 3.9Å; L20-I603 HydrophobicContact CD2-CD1 4.47Å; L20-I603 HydrophobicContact CD2-CG2 3.61Å; I124-I603 HydrophobicContact CD1-CG2 3.49Å; I124-I603 VanDerWaalsContact CD1-CG2 3.49Å; D599-I603 WeakPolarHBondContact O-CG1 3.21Å; D599-I603 PolarHBondContact O-N 3.49Å; N600-I603 PolarHBondContact O-N 3.01Å; I603-G607 WeakPolarHBondContact O-CA 3.41Å; I603-G607 PolarHBondContact O-N 3.02Å; I603-L608 HydrophobicContact CB-CB 4.36Å; I603-L608 HydrophobicContact CG1-CB 4.09Å; I603-L608 HydrophobicContact CG1-CD1 4.04Å; I603-L608 HydrophobicContact CG2-CB 4.36Å; I603-L608 PolarHBondContact O-N 2.65Å; I603-L608 VanDerWaalsContact O-N 3.17Å; I603-L611 HydrophobicContact CD1-CD1 3.87Å; I603-L611 HydrophobicContact CD1-CD2 4.45Å; I603-L611 HydrophobicContact CD1-CG 4.1Å; I603-L611 HydrophobicContact CG1-CD1 4.4Å; I603-L611 HydrophobicContact CG1-CD2 4.18Å; I603-L611 HydrophobicContact CG1-CG 4.37Å; I603-S654 VanDerWaalsContact CD1-CB 3.42Å |
| 604 | N | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 179.8 | -82.9 | -30.5 | 0 | 0 | 0 | 112 | T16 E17 Q19 S92 Y122 I124 N600 I601 F602 | T16-N604 PolarHBondContact O-ND2 3.49Å; E17-N604 PolarHBondContact O-ND2 2.91Å; Q19-N604 PolarHBondContact O-ND2 2.96Å; S92-N604 WeakPolarHBondContact CB-O 3.23Å; S92-N604 PolarHBondContact OG-O 3.44Å; Y122-N604 WeakPolarHBondContact CB-OD1 3.34Å; Y122-N604 HydrophobicContact CD1-CB 4.05Å; Y122-N604 HydrophobicContact CD2-CB 3.82Å; Y122-N604 HydrophobicContact CE1-CB 4.41Å; Y122-N604 HydrophobicContact CE2-CB 4.23Å; Y122-N604 HydrophobicContact CG-CB 3.73Å; I124-N604 WeakPolarHBondContact CD1-OD1 3.39Å; N600-N604 VanDerWaalsContact O-CB 3.27Å; N600-N604 WeakPolarHBondContact O-CB 3.32Å; N600-N604 PolarHBondContact O-N 2.89Å; N600-N604 PolarHBondContact O-ND2 2.96Å; I601-N604 PolarHBondContact O-N 2.73Å; F602-N604 PolarHBondContact O-N 2.68Å |
| 605 | K | 92.1 | Very high | 91.4 | Very high | 39 Ų | 39 | 21.1 Ų | 21.1 | 17% | 0.17 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -73.2 | -38.4 | -175.9 | -81.3 | -179.2 | 170.4 | 163.9 | 0 | 113.2 | E17 R57 L568 Q572 I601 F602 | E17-K605 WeakPolarHBondContact OE1-CE 3.26Å; E17-K605 IonicContact OE1-NZ 2.67Å; E17-K605 PolarHBondContact OE1-NZ 2.82Å; R57-K605 PolarHBondContact NH1-O 2.86Å; L568-K605 HydrophobicContact CD1-CB 4.32Å; L568-K605 HydrophobicContact CD2-CB 4.09Å; L568-K605 HydrophobicContact CD2-CD 3.23Å; L568-K605 HydrophobicContact CD2-CG 4.29Å; L568-K605 HydrophobicContact CG-CB 4.25Å; L568-K605 HydrophobicContact CG-CD 4.12Å; Q572-K605 WeakPolarHBondContact CG-O 3.39Å; Q572-K605 PolarHBondContact NE2-O 3.4Å; I601-K605 HydrophobicContact CG2-CD 4.01Å; I601-K605 VanDerWaalsContact O-CB 3.32Å; I601-K605 WeakPolarHBondContact O-CB 3.39Å; I601-K605 PolarHBondContact O-N 3.17Å; F602-K605 PolarHBondContact O-N 2.85Å |
| 606 | L | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -90.7 | -21.8 | -178.9 | -56.4 | 178.6 | 0 | 0 | 0 | 112.6 | L560 L568 A571 Q572 I575 F602 L608 | L560-L606 HydrophobicContact CD1-CD1 4.19Å; L568-L606 HydrophobicContact CD1-CD1 4Å; L568-L606 HydrophobicContact CD1-CD2 3.83Å; L568-L606 HydrophobicContact CD1-CG 3.79Å; A571-L606 HydrophobicContact CB-CD1 4.14Å; A571-L606 HydrophobicContact CB-CD2 3.48Å; A571-L606 VanDerWaalsContact CB-CD2 3.48Å; A571-L606 HydrophobicContact CB-CG 4.47Å; Q572-L606 HydrophobicContact CB-CD2 4.33Å; Q572-L606 HydrophobicContact CG-CD2 3.63Å; I575-L606 WeakPolarHBondContact CG2-O 3.45Å; F602-L606 HydrophobicContact CD1-CD1 4.06Å; F602-L606 VanDerWaalsContact O-CB 3.29Å; F602-L606 WeakPolarHBondContact O-CB 3.48Å; F602-L606 WeakPolarHBondContact O-CG 3.42Å; F602-L606 PolarHBondContact O-N 3.16Å; L606-L608 HydrophobicContact CB-CD2 3.8Å; L606-L608 HydrophobicContact CB-CG 3.96Å; L606-L608 HydrophobicContact CD1-CD1 4.42Å; L606-L608 HydrophobicContact CD1-CD2 4.04Å; L606-L608 HydrophobicContact CD1-CG 4.37Å |
| 607 | G | 93.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 50 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S92 R579 I603 | S92-G607 VanDerWaalsContact CB-CA 3.43Å; R579-G607 PolarHBondContact NH2-O 3.09Å; I603-G607 WeakPolarHBondContact O-CA 3.41Å; I603-G607 PolarHBondContact O-N 3.02Å |
| 608 | L | 94.6 | Very high | 92 | Very high | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | trans | -67 | 135.1 | 173.1 | -54.2 | 177.9 | 0 | 0 | 0 | 109.3 | L560 V587 A589 L591 F602 I603 L606 L611 | L560-L608 HydrophobicContact CD1-CD2 3.88Å; V587-L608 HydrophobicContact CG1-CD2 3.65Å; A589-L608 HydrophobicContact CB-CD1 3.66Å; A589-L608 HydrophobicContact CB-CD2 3.94Å; A589-L608 HydrophobicContact CB-CG 4.37Å; L591-L608 HydrophobicContact CD2-CD1 4.42Å; F602-L608 HydrophobicContact CB-CD1 4.29Å; I603-L608 HydrophobicContact CB-CB 4.36Å; I603-L608 HydrophobicContact CG1-CB 4.09Å; I603-L608 HydrophobicContact CG1-CD1 4.04Å; I603-L608 HydrophobicContact CG2-CB 4.36Å; I603-L608 PolarHBondContact O-N 2.65Å; I603-L608 VanDerWaalsContact O-N 3.17Å; L606-L608 HydrophobicContact CB-CD2 3.8Å; L606-L608 HydrophobicContact CB-CG 3.96Å; L606-L608 HydrophobicContact CD1-CD1 4.42Å; L606-L608 HydrophobicContact CD1-CD2 4.04Å; L606-L608 HydrophobicContact CD1-CG 4.37Å; L608-L611 HydrophobicContact CD1-CD2 3.8Å | ||
| 609 | S | 94.2 | Very high | 92 | Very high | 6 Ų | 6 | 16.7 Ų | 16.7 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -90.4 | -29.7 | 177.9 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | Y586 V587 H655 | Y586-S609 VanDerWaalsContact CE2-CB 3.42Å; V587-S609 PolarHBondContact N-OG 2.67Å; V587-S609 WeakPolarHBondContact O-CA 3.16Å; V587-S609 WeakPolarHBondContact O-CB 3.22Å; V587-S609 PolarHBondContact O-N 3.06Å; S609-H655 WeakPolarHBondContact O-CB 3.3Å |
| 610 | S | 94.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 150.8 | 177.1 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | Y586 V587 V588 A589 H655 | Y586-S610 WeakPolarHBondContact CE2-OG 3.34Å; Y586-S610 WeakPolarHBondContact OH-CB 3.25Å; Y586-S610 PolarHBondContact OH-OG 3.47Å; V587-S610 PolarHBondContact O-N 3.46Å; V588-S610 VanDerWaalsContact CA-O 3.31Å; V588-S610 WeakPolarHBondContact CA-O 3.45Å; A589-S610 PolarHBondContact N-O 2.73Å; A589-S610 VanDerWaalsContact N-O 3.09Å; S610-H655 CarbonylContact C-O 3.23Å; S610-H655 WeakPolarHBondContact CA-O 3.45Å; S610-H655 PolarHBondContact OG-ND1 3.02Å |
| 611 | L | 93.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 144.9 | 169.8 | -60.3 | -171.9 | 0 | 0 | 0 | 110.5 | A589 L591 D599 I603 L608 R613 H655 A656 V657 | A589-L611 HydrophobicContact CB-CD2 4.18Å; L591-L611 HydrophobicContact CB-CD2 3.97Å; L591-L611 HydrophobicContact CD2-CD1 4.23Å; L591-L611 HydrophobicContact CD2-CD2 4.01Å; D599-L611 HydrophobicContact CB-CD1 4.02Å; I603-L611 HydrophobicContact CD1-CD1 3.87Å; I603-L611 HydrophobicContact CD1-CD2 4.45Å; I603-L611 HydrophobicContact CD1-CG 4.1Å; I603-L611 HydrophobicContact CG1-CD1 4.4Å; I603-L611 HydrophobicContact CG1-CD2 4.18Å; I603-L611 HydrophobicContact CG1-CG 4.37Å; L608-L611 HydrophobicContact CD1-CD2 3.8Å; L611-R613 VanDerWaalsContact CD1-NH2 3.33Å; L611-H655 PolarHBondContact N-O 2.81Å; L611-A656 CarbonylContact O-C 3.24Å; L611-A656 VanDerWaalsContact O-CA 3.29Å; L611-A656 WeakPolarHBondContact O-CA 3.27Å; L611-V657 PolarHBondContact O-N 3.09Å |
| 612 | I | 93.2 | Very high | 92.2 | Very high | 18 Ų | 18 | 24.7 Ų | 24.7 | 9% | 0.092 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 130.8 | 174.7 | -63 | 174.5 | 0 | 0 | 0 | 109.4 | R559 V588 A589 E590 Y659 T662 | R559-I612 HydrophobicContact CG-CD1 4.16Å; V588-I612 HydrophobicContact CG1-CD1 4.19Å; V588-I612 HydrophobicContact CG1-CG1 3.68Å; A589-I612 PolarHBondContact O-N 2.85Å; A589-I612 VanDerWaalsContact O-N 3.11Å; E590-I612 HydrophobicContact CB-CD1 4.31Å; I612-Y659 HydrophobicContact CG1-CE2 4.32Å; I612-Y659 HydrophobicContact CG2-CD2 3.89Å; I612-Y659 HydrophobicContact CG2-CE2 4.08Å; I612-T662 HydrophobicContact CG2-CG2 3.96Å |
| 613 | R | 90.8 | Very high | 92.2 | Very high | 36 Ų | 36 | 26.5 Ų | 26.5 | 14% | 0.136 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 156.7 | 172.9 | -59.1 | -62.8 | 177.7 | -122.8 | 13.7 | 108.3 | L591 D599 L611 Y631 A656 V657 F658 Y659 | L591-R613 PolarHBondContact O-NH1 3.23Å; D599-R613 IonicContact OD2-NH2 3.81Å; D599-R613 PolarHBondContact OD2-NH2 3.31Å; L611-R613 VanDerWaalsContact CD1-NH2 3.33Å; R613-Y631 HydrophobicContact CB-CD2 4.38Å; R613-Y631 HydrophobicContact CB-CE2 4.13Å; R613-Y631 HydrophobicContact CG-CD1 4.32Å; R613-Y631 HydrophobicContact CG-CD2 4.42Å; R613-Y631 HydrophobicContact CG-CE1 3.94Å; R613-Y631 HydrophobicContact CG-CE2 4.05Å; R613-A656 HydrophobicContact CB-CB 4.23Å; R613-A656 HydrophobicContact CG-CB 3.82Å; R613-V657 PolarHBondContact N-O 3.41Å; R613-F658 HydrophobicContact CB-CD2 4.05Å; R613-F658 WeakPolarHBondContact O-CA 3.33Å; R613-Y659 PolarHBondContact O-N 2.91Å |
| 614 | E | 89.1 | Confident | 92.2 | Very high | 24 Ų | 24 | 26.1 Ų | 26.1 | 11% | 0.112 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 131.2 | -171.6 | -168.1 | -171.2 | -149.2 | 0 | 0 | 112.1 | L616 S617 Q627 Y659 Q661 T662 N665 | E614-L616 VanDerWaalsContact C-N 3.3Å; E614-L616 HydrophobicContact CG-CB 3.87Å; E614-L616 PolarHBondContact O-N 3.41Å; E614-S617 WeakPolarHBondContact O-CB 3.44Å; E614-S617 PolarHBondContact O-N 3.38Å; E614-S617 PolarHBondContact O-OG 3.05Å; E614-Q627 PolarHBondContact O-OE1 3.25Å; E614-Y659 CarbonylContact C-O 3.53Å; E614-Y659 WeakPolarHBondContact CA-O 3.22Å; E614-Q661 WeakPolarHBondContact OE1-CA 3.25Å; E614-T662 HydrophobicContact CG-CG2 4.42Å; E614-T662 PolarHBondContact OE1-N 3.26Å; E614-T662 PolarHBondContact OE1-OG1 2.84Å; E614-N665 PolarHBondContact OE1-ND2 3.36Å; E614-N665 PolarHBondContact OE2-ND2 3.42Å |
| 615 | S | 89.9 | Confident | 92.1 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -69.1 | -26.4 | 177.6 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | S617 A618 Y659 D660 | S615-S617 PolarHBondContact O-N 3.07Å; S615-A618 VanDerWaalsContact O-CB 3.25Å; S615-A618 WeakPolarHBondContact O-CB 3.15Å; S615-A618 PolarHBondContact O-N 3.46Å; S615-Y659 PolarHBondContact N-O 3.42Å; S615-Y659 PolarHBondContact OG-O 2.86Å; S615-D660 WeakPolarHBondContact OG-CA 3.43Å; S615-D660 PolarHBondContact OG-O 3.1Å |
| 616 | L | 89 | Confident | 92.1 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -67.2 | -12.1 | 175.6 | -165.1 | 64.2 | 0 | 0 | 0 | 113.1 | E614 A618 Q661 N665 V668 K671 L680 | E614-L616 VanDerWaalsContact C-N 3.3Å; E614-L616 HydrophobicContact CG-CB 3.87Å; E614-L616 PolarHBondContact O-N 3.41Å; L616-A618 VanDerWaalsContact C-N 3.26Å; L616-Q661 HydrophobicContact CD2-CG 4.16Å; L616-N665 HydrophobicContact CD2-CB 4.25Å; L616-V668 HydrophobicContact CD1-CG2 4.21Å; L616-K671 HydrophobicContact CD1-CB 4.37Å; L616-K671 HydrophobicContact CD1-CD 4Å; L616-K671 HydrophobicContact CD2-CD 3.93Å; L616-K671 HydrophobicContact CG-CD 3.74Å; L616-L680 HydrophobicContact CD1-CD1 4.45Å |
| 617 | S | 87.2 | Confident | 91.9 | Very high | 66 Ų | 66 | 33 Ų | 33 | 46% | 0.462 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -74.1 | -18.1 | 171 | 72 | 0 | 0 | 0 | 0 | 113.1 | E614 S615 C619 Q627 | E614-S617 WeakPolarHBondContact O-CB 3.44Å; E614-S617 PolarHBondContact O-N 3.38Å; E614-S617 PolarHBondContact O-OG 3.05Å; S615-S617 PolarHBondContact O-N 3.07Å; S617-C619 PolarHBondContact O-N 3.3Å; S617-Q627 PolarHBondContact OG-NE2 3.32Å; S617-Q627 VanDerWaalsContact OG-NE2 3.08Å; S617-Q627 PolarHBondContact OG-OE1 3.02Å |
| 618 | A | 90.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | trans | -66.3 | 128.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S615 L616 D623 L624 F780 | S615-A618 VanDerWaalsContact O-CB 3.25Å; S615-A618 WeakPolarHBondContact O-CB 3.15Å; S615-A618 PolarHBondContact O-N 3.46Å; L616-A618 VanDerWaalsContact C-N 3.26Å; A618-D623 WeakPolarHBondContact CA-OD2 3.17Å; A618-D623 HydrophobicContact CB-CB 4.36Å; A618-L624 HydrophobicContact CB-CB 3.85Å; A618-L624 HydrophobicContact CB-CD1 4.45Å; A618-F780 HydrophobicContact CB-CE1 4.28Å; A618-F780 HydrophobicContact CB-CZ 4.3Å; A618-F780 WeakPolarHBondContact O-CE1 3.47Å | ||
| 619 | C | 89 | Confident | 91.4 | Very high | 108 Ų | 108 | 37.7 Ų | 37.7 | 73% | 0.73 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -77.7 | -24.9 | 178.5 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | S617 | S617-C619 PolarHBondContact O-N 3.3Š|
| 620 | D | 92.9 | Very high | 91 | Very high | 76 Ų | 76 | 43 Ų | 43 | 41% | 0.406 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -156.3 | -179.7 | -179.6 | 63.1 | 34.8 | 0 | 0 | 0 | 111.5 | H622 D623 L624 F780 | D620-H622 VanDerWaalsContact C-N 3.29Å; D620-H622 PolarHBondContact O-N 3.32Å; D620-H622 WeakPolarHBondContact OD1-CA 3.3Å; D620-H622 WeakPolarHBondContact OD1-CB 3.47Å; D620-H622 PolarHBondContact OD1-N 3.02Å; D620-D623 PolarHBondContact O-N 3.27Å; D620-D623 PolarHBondContact OD1-N 3.49Å; D620-L624 PolarHBondContact O-N 3.01Å; D620-L624 VanDerWaalsContact O-N 3.09Å; D620-F780 VanDerWaalsContact C-CE2 3.42Å; D620-F780 VanDerWaalsContact O-CZ 3.28Å; D620-F780 WeakPolarHBondContact O-CZ 3.37Å |
| 621 | C | 93.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -31.3 | -179.2 | -171.6 | 0 | 0 | 0 | 0 | 113.4 | G625 Q753 P756 T778 F780 | C621-G625 PolarHBondContact O-N 3.34Å; C621-Q753 PolarHBondContact O-OE1 3.18Å; C621-Q753 PolarHBondContact SG-NE2 3.11Å; C621-P756 WeakPolarHBondContact CB-O 3.48Å; C621-T778 HydrophobicContact CB-CG2 4.44Å; C621-F780 VanDerWaalsContact CA-CE2 3.47Å; C621-F780 HydrophobicContact CB-CD2 4.24Å; C621-F780 HydrophobicContact CB-CE2 3.98Å; C621-F780 VanDerWaalsContact N-CE2 3.27Å |
| 622 | H | 93.7 | Very high | 89.1 | Confident | 121 Ų | 121 | 45.4 Ų | 45.4 | 56% | 0.56 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -73.3 | -43.4 | -178.8 | 176.4 | -85.4 | 0 | 0 | 0 | 110.7 | D620 L624 G625 R626 | D620-H622 VanDerWaalsContact C-N 3.29Å; D620-H622 PolarHBondContact O-N 3.32Å; D620-H622 WeakPolarHBondContact OD1-CA 3.3Å; D620-H622 WeakPolarHBondContact OD1-CB 3.47Å; D620-H622 PolarHBondContact OD1-N 3.02Å; H622-L624 VanDerWaalsContact C-N 3.32Å; H622-L624 PolarHBondContact O-N 3.17Å; H622-G625 PolarHBondContact O-N 3.49Å; H622-R626 PolarHBondContact O-N 3.02Å |
| 623 | D | 93.5 | Very high | 87.8 | Confident | 39 Ų | 39 | 45.8 Ų | 45.8 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -38.1 | 173.6 | -166.7 | 54.5 | 0 | 0 | 0 | 111.5 | A618 D620 G625 R626 Q627 | A618-D623 WeakPolarHBondContact CA-OD2 3.17Å; A618-D623 HydrophobicContact CB-CB 4.36Å; D620-D623 PolarHBondContact O-N 3.27Å; D620-D623 PolarHBondContact OD1-N 3.49Å; D623-G625 VanDerWaalsContact C-N 3.34Å; D623-G625 PolarHBondContact O-N 2.89Å; D623-R626 WeakPolarHBondContact O-CB 3.22Å; D623-R626 PolarHBondContact O-N 3.34Å; D623-R626 VanDerWaalsContact O-N 3.16Å; D623-Q627 WeakPolarHBondContact O-CG 3.42Å; D623-Q627 PolarHBondContact O-N 3.34Å; D623-Q627 PolarHBondContact OD2-NE2 3.01Å |
| 624 | L | 94.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58 | -45.9 | 172.2 | 179 | 64 | 0 | 0 | 0 | 111.8 | A618 D620 H622 R626 Q627 V628 F658 L680 V683 T778 F780 | A618-L624 HydrophobicContact CB-CB 3.85Å; A618-L624 HydrophobicContact CB-CD1 4.45Å; D620-L624 PolarHBondContact O-N 3.01Å; D620-L624 VanDerWaalsContact O-N 3.09Å; H622-L624 VanDerWaalsContact C-N 3.32Å; H622-L624 PolarHBondContact O-N 3.17Å; L624-R626 VanDerWaalsContact C-N 3.33Å; L624-R626 PolarHBondContact O-N 3.15Å; L624-Q627 PolarHBondContact O-N 3.29Å; L624-V628 HydrophobicContact CD1-CG2 4.5Å; L624-V628 VanDerWaalsContact O-CG2 3.23Å; L624-V628 WeakPolarHBondContact O-CG2 3.22Å; L624-V628 PolarHBondContact O-N 3.35Å; L624-V628 VanDerWaalsContact O-N 3.08Å; L624-F658 HydrophobicContact CD1-CZ 4.41Å; L624-L680 HydrophobicContact CD1-CD2 4.16Å; L624-L680 HydrophobicContact CD2-CD2 3.8Å; L624-V683 HydrophobicContact CD1-CG1 4.03Å; L624-V683 HydrophobicContact CD2-CB 4.3Å; L624-V683 HydrophobicContact CD2-CG1 4.1Å; L624-V683 HydrophobicContact CD2-CG2 4.12Å; L624-V683 HydrophobicContact CG-CG1 3.93Å; L624-T778 HydrophobicContact CD2-CG2 4.28Å; L624-F780 HydrophobicContact CB-CZ 4.13Å; L624-F780 HydrophobicContact CD2-CE2 4.32Å; L624-F780 HydrophobicContact CD2-CZ 4.16Å |
| 625 | G | 92.8 | Very high | 86.2 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C621 H622 D623 V628 H629 | C621-G625 PolarHBondContact O-N 3.34Å; H622-G625 PolarHBondContact O-N 3.49Å; D623-G625 VanDerWaalsContact C-N 3.34Å; D623-G625 PolarHBondContact O-N 2.89Å; G625-V628 PolarHBondContact O-N 3.02Å; G625-H629 WeakPolarHBondContact O-CB 3.43Å; G625-H629 PolarHBondContact O-N 3.23Å |
| 626 | R | 91.3 | Very high | 85.9 | Confident | 160 Ų | 160 | 51.1 Ų | 51.1 | 60% | 0.604 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.1 | -42.9 | 176.1 | -176 | -172.2 | 175 | -162.4 | 1.1 | 112.5 | H622 D623 L624 H629 R630 | H622-R626 PolarHBondContact O-N 3.02Å; D623-R626 WeakPolarHBondContact O-CB 3.22Å; D623-R626 PolarHBondContact O-N 3.34Å; D623-R626 VanDerWaalsContact O-N 3.16Å; L624-R626 VanDerWaalsContact C-N 3.33Å; L624-R626 PolarHBondContact O-N 3.15Å; R626-H629 PolarHBondContact O-N 2.91Å; R626-R630 WeakPolarHBondContact O-CB 3.43Å; R626-R630 PolarHBondContact O-N 3.48Å |
| 627 | Q | 90.2 | Very high | 85.7 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 9% | 0.089 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 178.3 | -70 | -174.7 | 31.6 | 0 | 0 | 111.4 | E614 S617 D623 L624 R630 Y631 F658 | E614-Q627 PolarHBondContact O-OE1 3.25Å; S617-Q627 PolarHBondContact OG-NE2 3.32Å; S617-Q627 VanDerWaalsContact OG-NE2 3.08Å; S617-Q627 PolarHBondContact OG-OE1 3.02Å; D623-Q627 WeakPolarHBondContact O-CG 3.42Å; D623-Q627 PolarHBondContact O-N 3.34Å; D623-Q627 PolarHBondContact OD2-NE2 3.01Å; L624-Q627 PolarHBondContact O-N 3.29Å; Q627-R630 PolarHBondContact O-N 3.48Å; Q627-Y631 HydrophobicContact CB-CD2 4.32Å; Q627-Y631 HydrophobicContact CB-CE2 4.31Å; Q627-Y631 WeakPolarHBondContact O-CD2 3.4Å; Q627-Y631 PolarHBondContact O-N 3.37Å; Q627-F658 HydrophobicContact CB-CE2 4.44Å; Q627-F658 HydrophobicContact CB-CZ 4.16Å |
| 628 | V | 90.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 177.3 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | L624 G625 R630 G632 F658 V683 V751 V761 | L624-V628 HydrophobicContact CD1-CG2 4.5Å; L624-V628 VanDerWaalsContact O-CG2 3.23Å; L624-V628 WeakPolarHBondContact O-CG2 3.22Å; L624-V628 PolarHBondContact O-N 3.35Å; L624-V628 VanDerWaalsContact O-N 3.08Å; G625-V628 PolarHBondContact O-N 3.02Å; V628-R630 VanDerWaalsContact C-N 3.31Å; V628-R630 PolarHBondContact O-N 3.01Å; V628-G632 CarbonylContact O-C 3.51Å; V628-G632 WeakPolarHBondContact O-CA 3.48Å; V628-G632 PolarHBondContact O-N 3.21Å; V628-F658 HydrophobicContact CG2-CE1 3.82Å; V628-F658 HydrophobicContact CG2-CZ 4.34Å; V628-V683 HydrophobicContact CB-CG1 4.35Å; V628-V683 HydrophobicContact CG2-CG1 3.16Å; V628-V751 HydrophobicContact CG1-CG2 4.4Å; V628-V761 HydrophobicContact CG1-CG1 4.21Å; V628-V761 HydrophobicContact CG1-CG2 4.5Å |
| 629 | H | 87.2 | Confident | 85.5 | Confident | 102 Ų | 102 | 48.9 Ų | 48.9 | 47% | 0.472 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.5 | -42.7 | 173.6 | -175 | 70.7 | 0 | 0 | 0 | 111.3 | G625 R626 A633 V751 | G625-H629 WeakPolarHBondContact O-CB 3.43Å; G625-H629 PolarHBondContact O-N 3.23Å; R626-H629 PolarHBondContact O-N 2.91Å; H629-A633 WeakPolarHBondContact O-CB 3.12Å; H629-A633 PolarHBondContact O-N 3.03Å; H629-V751 HydrophobicContact CB-CB 4.49Å; H629-V751 HydrophobicContact CB-CG2 3.98Å |
| 630 | R | 84.2 | Confident | 85.5 | Confident | 119 Ų | 119 | 44.4 Ų | 44.4 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69.5 | -50 | -178.6 | -176.1 | 172.9 | -171.8 | 155 | 4.4 | 113.6 | E596 R626 Q627 V628 | E596-R630 IonicContact OE2-NH2 3.54Å; E596-R630 PolarHBondContact OE2-NH2 2.88Å; R626-R630 WeakPolarHBondContact O-CB 3.43Å; R626-R630 PolarHBondContact O-N 3.48Å; Q627-R630 PolarHBondContact O-N 3.48Å; V628-R630 VanDerWaalsContact C-N 3.31Å; V628-R630 PolarHBondContact O-N 3.01Å |
| 631 | Y | 78.3 | Confident | 85 | Confident | 52 Ų | 52 | 41 Ų | 41 | 20% | 0.204 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -90.4 | -22.5 | -174.4 | -57.5 | -55 | 0 | 0 | 0 | 112.9 | R613 Q627 A656 F658 C689 | R613-Y631 HydrophobicContact CB-CD2 4.38Å; R613-Y631 HydrophobicContact CB-CE2 4.13Å; R613-Y631 HydrophobicContact CG-CD1 4.32Å; R613-Y631 HydrophobicContact CG-CD2 4.42Å; R613-Y631 HydrophobicContact CG-CE1 3.94Å; R613-Y631 HydrophobicContact CG-CE2 4.05Å; Q627-Y631 HydrophobicContact CB-CD2 4.32Å; Q627-Y631 HydrophobicContact CB-CE2 4.31Å; Q627-Y631 WeakPolarHBondContact O-CD2 3.4Å; Q627-Y631 PolarHBondContact O-N 3.37Å; Y631-A656 HydrophobicContact CD1-CB 4.09Å; Y631-A656 HydrophobicContact CG-CB 4.13Å; Y631-F658 HydrophobicContact CD2-CD2 4.47Å; Y631-F658 HydrophobicContact CD2-CE2 4.45Å; Y631-C689 WeakPolarHBondContact O-CB 3.42Å |
| 632 | G | 70.6 | Confident | 84 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -108.4 | -6.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V628 C688 T749 | V628-G632 CarbonylContact O-C 3.51Å; V628-G632 WeakPolarHBondContact O-CA 3.48Å; V628-G632 PolarHBondContact O-N 3.21Å; G632-C688 VanDerWaalsContact CA-N 3.27Å; G632-C688 WeakPolarHBondContact O-CA 3.47Å; G632-C688 WeakPolarHBondContact O-CB 3.26Å; G632-C688 PolarHBondContact O-N 2.83Å; G632-T749 PolarHBondContact O-OG1 2.89Å |
| 633 | A | 66.5 | Low | 82.4 | Confident | 27 Ų | 27 | 40 Ų | 40 | 22% | 0.223 | 19% | 0.191 | C | C | . | . | trans | -99.4 | 98.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | H629 R635 | H629-A633 WeakPolarHBondContact O-CB 3.12Å; H629-A633 PolarHBondContact O-N 3.03Å; A633-R635 VanDerWaalsContact C-N 3.26Å | ||
| 634 | S | 67.7 | Low | 80.6 | Confident | 69 Ų | 69 | 41.3 Ų | 41.3 | 48% | 0.483 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -67.5 | -33.2 | 169.6 | 75.2 | 0 | 0 | 0 | 0 | 111.4 | S747 | S634-S747 PolarHBondContact OG-O 3.49Š|
| 635 | R | 78.2 | Confident | 78.5 | Confident | 69 Ų | 69 | 46.2 Ų | 46.2 | 26% | 0.26 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 148.2 | 173.1 | -62.9 | -173 | -164.4 | 175.7 | 13.8 | 110.2 | A633 A639 E642 E748 T749 | A633-R635 VanDerWaalsContact C-N 3.26Å; R635-A639 HydrophobicContact CB-CB 3.93Å; R635-E642 IonicContact CZ-OE1 3.07Å; R635-E642 IonicContact CZ-OE2 2.62Å; R635-E642 IonicContact NE-OE1 3.32Å; R635-E642 IonicContact NH1-OE1 3.44Å; R635-E642 PolarHBondContact NH1-OE1 2.92Å; R635-E642 IonicContact NH1-OE2 3.81Å; R635-E642 PolarHBondContact NH1-OE2 3.06Å; R635-E642 IonicContact NH2-OE1 3.56Å; R635-E642 PolarHBondContact NH2-OE1 2.7Å; R635-E642 IonicContact NH2-OE2 3.37Å; R635-E642 PolarHBondContact NH2-OE2 3.02Å; R635-E748 HydrophobicContact CB-CG 4.05Å; R635-E748 CarbonylContact O-C 3.51Å; R635-E748 VanDerWaalsContact O-CA 3.32Å; R635-E748 WeakPolarHBondContact O-CA 3.42Å; R635-T749 PolarHBondContact O-N 3.34Å |
| 636 | P | 84.1 | Confident | 76.8 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 155.7 | 169.5 | 30.3 | -35.2 | 0 | 0 | 0 | 111.1 | G638 A639 E748 N1001 L1003 | P636-G638 PolarHBondContact O-N 3.01Å; P636-A639 HydrophobicContact CG-CB 4.3Å; P636-A639 WeakPolarHBondContact O-CB 3.39Å; P636-A639 PolarHBondContact O-N 3.41Å; P636-E748 WeakPolarHBondContact O-CG 3.46Å; P636-N1001 VanDerWaalsContact CD-ND2 3.34Å; P636-N1001 WeakPolarHBondContact CD-ND2 3.43Å; P636-L1003 HydrophobicContact CB-CD1 3.97Å; P636-L1003 HydrophobicContact CG-CD1 3.52Å; P636-L1003 HydrophobicContact CG-CG 4.33Å |
| 637 | A | 84.5 | Confident | 75.9 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 17% | 0.174 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 131.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A639 T749 F750 F764 Y1060 | A637-A639 VanDerWaalsContact C-N 3.35Å; A637-T749 PolarHBondContact N-O 3.06Å; A637-F750 HydrophobicContact CB-CB 4.08Å; A637-F764 HydrophobicContact CB-CD2 3.76Å; A637-F764 HydrophobicContact CB-CE2 3.52Å; A637-F764 HydrophobicContact CB-CZ 4.22Å; A637-Y1060 HydrophobicContact CB-CE2 4.49Å |
| 638 | G | 86.5 | Confident | 75.3 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 22.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P636 E748 | P636-G638 PolarHBondContact O-N 3.01Å; G638-E748 PolarHBondContact N-OE2 3.04Å |
| 639 | A | 86 | Confident | 75.1 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -55.4 | 150.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R635 P636 A637 A1064 | R635-A639 HydrophobicContact CB-CB 3.93Å; P636-A639 HydrophobicContact CG-CB 4.3Å; P636-A639 WeakPolarHBondContact O-CB 3.39Å; P636-A639 PolarHBondContact O-N 3.41Å; A637-A639 VanDerWaalsContact C-N 3.35Å; A639-A1064 WeakPolarHBondContact O-CB 3.17Å |
| 640 | F | 88.6 | Confident | 74.8 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 6% | 0.057 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 153.4 | 178.7 | -70.5 | 12.2 | 0 | 0 | 0 | 110.9 | L994 I997 R998 L1003 P1063 A1064 E1067 | F640-L994 HydrophobicContact CE2-CD2 4.32Å; F640-L994 HydrophobicContact CZ-CD2 4.29Å; F640-I997 HydrophobicContact CE2-CB 4.13Å; F640-I997 HydrophobicContact CE2-CG2 3.74Å; F640-I997 HydrophobicContact CZ-CG2 3.79Å; F640-R998 HydrophobicContact CB-CB 4.46Å; F640-R998 HydrophobicContact CB-CG 3.92Å; F640-R998 HydrophobicContact CD2-CB 3.69Å; F640-R998 HydrophobicContact CD2-CG 4.06Å; F640-R998 HydrophobicContact CE2-CB 4.42Å; F640-L1003 HydrophobicContact CD1-CD2 3.75Å; F640-L1003 HydrophobicContact CE1-CD2 3.53Å; F640-L1003 HydrophobicContact CZ-CD2 4.33Å; F640-P1063 HydrophobicContact CE1-CB 3.73Å; F640-P1063 HydrophobicContact CZ-CB 4.31Å; F640-A1064 HydrophobicContact CD1-CB 4Å; F640-E1067 HydrophobicContact CD2-CB 4.06Å; F640-E1067 HydrophobicContact CD2-CG 3.53Å; F640-E1067 WeakPolarHBondContact CD2-OE2 3.45Å; F640-E1067 HydrophobicContact CE2-CB 3.91Å; F640-E1067 HydrophobicContact CE2-CG 3.48Å; F640-E1067 VanDerWaalsContact CE2-CG 3.48Å; F640-E1067 HydrophobicContact CG-CG 4.36Å; F640-E1067 HydrophobicContact CZ-CB 4.19Å; F640-E1067 HydrophobicContact CZ-CG 4.24Å |
| 641 | F | 82.9 | Confident | 74.8 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -75.5 | 143.4 | -177.3 | -56.3 | -92.7 | 0 | 0 | 0 | 112.3 | R643 L907 Y908 A1064 Y1065 A1068 | F641-R643 HydrophobicContact CB-CG 3.83Å; F641-R643 PolarHBondContact O-N 3.33Å; F641-L907 HydrophobicContact CB-CD2 4.18Å; F641-L907 HydrophobicContact CD1-CB 3.85Å; F641-L907 HydrophobicContact CD1-CD1 4.1Å; F641-L907 HydrophobicContact CD1-CD2 4.17Å; F641-L907 HydrophobicContact CD1-CG 4.26Å; F641-L907 HydrophobicContact CD2-CD1 4.41Å; F641-L907 HydrophobicContact CD2-CD2 4.4Å; F641-L907 HydrophobicContact CE1-CB 4.01Å; F641-L907 HydrophobicContact CE1-CD1 3.76Å; F641-L907 HydrophobicContact CE1-CG 4.36Å; F641-L907 HydrophobicContact CE2-CD1 4.12Å; F641-L907 HydrophobicContact CG-CD1 4.4Å; F641-L907 HydrophobicContact CG-CD2 4.02Å; F641-L907 HydrophobicContact CZ-CD1 3.79Å; F641-Y908 HydrophobicContact CD1-CE1 4.33Å; F641-Y908 AromaticContact CD1-CE2 3.92Å; F641-Y908 HydrophobicContact CD1-CE2 3.92Å; F641-Y908 AromaticContact CD1-CZ 3.58Å; F641-Y908 VanDerWaalsContact CD1-OH 3.25Å; F641-Y908 WeakPolarHBondContact CD1-OH 3.38Å; F641-Y908 AromaticContact CE1-CE2 3.46Å; F641-Y908 HydrophobicContact CE1-CE2 3.46Å; F641-Y908 VanDerWaalsContact CE1-CE2 3.46Å; F641-Y908 AromaticContact CE1-CZ 3.45Å; F641-Y908 VanDerWaalsContact CE1-CZ 3.45Å; F641-Y908 WeakPolarHBondContact CE1-OH 3.49Å; F641-A1064 HydrophobicContact CD2-CB 4.24Å; F641-A1064 WeakPolarHBondContact CD2-O 3.45Å; F641-A1064 HydrophobicContact CE2-CB 3.84Å; F641-A1064 WeakPolarHBondContact CE2-O 3.27Å; F641-Y1065 HydrophobicContact CE1-CE1 4.48Å; F641-Y1065 HydrophobicContact CE2-CD1 4.11Å; F641-Y1065 HydrophobicContact CE2-CD2 4.16Å; F641-Y1065 HydrophobicContact CE2-CE1 4.38Å; F641-Y1065 HydrophobicContact CE2-CE2 4.39Å; F641-Y1065 HydrophobicContact CE2-CG 4.02Å; F641-Y1065 AromaticContact CZ-CD1 3.82Å; F641-Y1065 HydrophobicContact CZ-CD1 3.82Å; F641-Y1065 AromaticContact CZ-CD2 3.92Å; F641-Y1065 HydrophobicContact CZ-CD2 3.92Å; F641-Y1065 AromaticContact CZ-CE1 3.64Å; F641-Y1065 HydrophobicContact CZ-CE1 3.64Å; F641-Y1065 AromaticContact CZ-CE2 3.7Å; F641-Y1065 HydrophobicContact CZ-CE2 3.7Å; F641-Y1065 AromaticContact CZ-CG 3.98Å; F641-Y1065 HydrophobicContact CZ-CG 3.98Å; F641-Y1065 AromaticContact CZ-CZ 3.56Å; F641-A1068 HydrophobicContact CD2-CB 3.7Å; F641-A1068 HydrophobicContact CE2-CB 3.85Å |
| 642 | E | 72 | Confident | 75 | Confident | 73 Ų | 73 | 45.2 Ų | 45.2 | 34% | 0.341 | 24% | 0.243 | S | C | . | . | trans | -87.8 | 92 | 171.7 | -67.2 | 176.1 | 173.2 | 0 | 0 | 109.1 | R635 R647 | R635-E642 IonicContact CZ-OE1 3.07Å; R635-E642 IonicContact CZ-OE2 2.62Å; R635-E642 IonicContact NE-OE1 3.32Å; R635-E642 IonicContact NH1-OE1 3.44Å; R635-E642 PolarHBondContact NH1-OE1 2.92Å; R635-E642 IonicContact NH1-OE2 3.81Å; R635-E642 PolarHBondContact NH1-OE2 3.06Å; R635-E642 IonicContact NH2-OE1 3.56Å; R635-E642 PolarHBondContact NH2-OE1 2.7Å; R635-E642 IonicContact NH2-OE2 3.37Å; R635-E642 PolarHBondContact NH2-OE2 3.02Å; E642-R647 VanDerWaalsContact CD-CZ 3.49Å; E642-R647 IonicContact OE1-CZ 3.87Å; E642-R647 IonicContact OE1-NE 3.6Å; E642-R647 IonicContact OE1-NH1 3.03Å; E642-R647 PolarHBondContact OE1-NH1 2.97Å; E642-R647 IonicContact OE1-NH2 3.57Å; E642-R647 PolarHBondContact OE1-NH2 3.09Å; E642-R647 IonicContact OE2-CZ 2.74Å; E642-R647 IonicContact OE2-NH1 3.51Å; E642-R647 PolarHBondContact OE2-NH1 3.45Å; E642-R647 VanDerWaalsContact OE2-NH1 3.09Å | ||
| 643 | R | 61.5 | Low | 75.5 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | trans | -100.2 | -25.9 | -168.4 | -75.8 | 175.6 | -77.7 | 145.2 | 4 | 115.2 | F641 L907 E1067 A1068 T1072 | F641-R643 HydrophobicContact CB-CG 3.83Å; F641-R643 PolarHBondContact O-N 3.33Å; R643-L907 HydrophobicContact CG-CD2 3.73Å; R643-E1067 IonicContact CZ-OE1 3.03Å; R643-E1067 IonicContact CZ-OE2 3.56Å; R643-E1067 PolarHBondContact NH1-O 2.69Å; R643-E1067 PolarHBondContact NH2-O 2.94Å; R643-E1067 IonicContact NH2-OE1 2.76Å; R643-E1067 PolarHBondContact NH2-OE1 3.47Å; R643-E1067 IonicContact NH2-OE2 2.68Å; R643-E1067 PolarHBondContact NH2-OE2 3.26Å; R643-A1068 VanDerWaalsContact NH1-CA 3.26Å; R643-A1068 PolarHBondContact NH1-O 2.89Å; R643-T1072 PolarHBondContact NH1-OG1 3.12Å | ||
| 644 | N | 54.2 | Low | 76.5 | Confident | 65 Ų | 65 | 47.5 Ų | 47.5 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | trans | -80.4 | 140.2 | -170.2 | -72.2 | -4.6 | 0 | 0 | 0 | 110.7 | A646 | N644-A646 WeakPolarHBondContact CB-O 3.44Å; N644-A646 PolarHBondContact O-N 3.38Å | ||
| 645 | S | 52 | Low | 77.6 | Confident | 103 Ų | 103 | 45 Ų | 45 | 72% | 0.72 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -58.1 | -26.6 | 168.6 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | V5 | V5-S645 WeakPolarHBondContact CB-O 3.48Å; V5-S645 WeakPolarHBondContact CG2-O 3.35Å; V5-S645 PolarHBondContact N-O 3.23Å; V5-S645 VanDerWaalsContact N-O 3.1Å |
| 646 | A | 55.8 | Low | 78.3 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 21% | 0.207 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 114.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V5 Q7 N644 | V5-A646 HydrophobicContact CB-CB 4.37Å; V5-A646 HydrophobicContact CG1-CB 4.43Å; V5-A646 CarbonylContact O-C 3.58Å; V5-A646 VanDerWaalsContact O-CA 3.23Å; V5-A646 WeakPolarHBondContact O-CA 3.42Å; Q7-A646 HydrophobicContact CG-CB 4.15Å; N644-A646 WeakPolarHBondContact CB-O 3.44Å; N644-A646 PolarHBondContact O-N 3.38Å |
| 647 | R | 71.8 | Confident | 78.8 | Confident | 88 Ų | 88 | 40.1 Ų | 40.1 | 33% | 0.332 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 136.4 | -179.2 | 170.3 | -165.2 | 169.4 | 164.6 | 13 | 110.2 | E4 V5 L6 Q7 E642 L649 | E4-R647 WeakPolarHBondContact OE1-CD 3.36Å; E4-R647 IonicContact OE1-NH1 3.78Å; V5-R647 PolarHBondContact O-N 3.43Å; L6-R647 CarbonylContact C-O 3.51Å; L6-R647 VanDerWaalsContact CA-O 3.26Å; L6-R647 WeakPolarHBondContact CA-O 3.46Å; L6-R647 HydrophobicContact CD2-CB 4.2Å; L6-R647 HydrophobicContact CD2-CG 4.39Å; Q7-R647 PolarHBondContact N-O 3.44Å; E642-R647 VanDerWaalsContact CD-CZ 3.49Å; E642-R647 IonicContact OE1-CZ 3.87Å; E642-R647 IonicContact OE1-NE 3.6Å; E642-R647 IonicContact OE1-NH1 3.03Å; E642-R647 PolarHBondContact OE1-NH1 2.97Å; E642-R647 IonicContact OE1-NH2 3.57Å; E642-R647 PolarHBondContact OE1-NH2 3.09Å; E642-R647 IonicContact OE2-CZ 2.74Å; E642-R647 IonicContact OE2-NH1 3.51Å; E642-R647 PolarHBondContact OE2-NH1 3.45Å; E642-R647 VanDerWaalsContact OE2-NH1 3.09Å; R647-L649 PolarHBondContact O-N 3.47Å |
| 648 | R | 78.5 | Confident | 79.3 | Confident | 116 Ų | 116 | 39.3 Ų | 39.3 | 44% | 0.438 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 129.6 | 171 | -173.8 | 161.1 | 177.8 | 172.8 | 2.8 | 111.7 | Y650 | R648-Y650 HydrophobicContact CB-CD2 4.45Å; R648-Y650 HydrophobicContact CB-CE2 3.72Å; R648-Y650 WeakPolarHBondContact CD-OH 3.37Å; R648-Y650 HydrophobicContact CG-CD2 4.37Å; R648-Y650 HydrophobicContact CG-CE1 4.27Å; R648-Y650 HydrophobicContact CG-CE2 3.81Å; R648-Y650 VanDerWaalsContact O-CD2 3.31Å; R648-Y650 WeakPolarHBondContact O-CD2 3.3Å |
| 649 | L | 85.4 | Confident | 79.7 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | trans | -83.7 | 124.1 | 174.9 | -167.2 | 63 | 0 | 0 | 0 | 109.3 | L6 Q7 Y8 F21 I23 R647 | L6-L649 HydrophobicContact CB-CB 4.47Å; L6-L649 HydrophobicContact CD1-CD1 4.18Å; Q7-L649 PolarHBondContact O-N 3.48Å; Y8-L649 HydrophobicContact CD2-CD2 3.97Å; F21-L649 HydrophobicContact CB-CD2 3.88Å; F21-L649 HydrophobicContact CB-CG 4.44Å; F21-L649 HydrophobicContact CD1-CB 4.43Å; F21-L649 HydrophobicContact CD1-CD2 3.94Å; F21-L649 HydrophobicContact CD1-CG 3.87Å; F21-L649 HydrophobicContact CG-CD2 4.41Å; I23-L649 HydrophobicContact CG2-CD1 4.19Å; I23-L649 HydrophobicContact CG2-CD2 3.78Å; R647-L649 PolarHBondContact O-N 3.47Å | ||
| 650 | Y | 81.8 | Confident | 80.1 | Confident | 81 Ų | 81 | 39.5 Ų | 39.5 | 32% | 0.318 | 21% | 0.206 | S | C | . | . | trans | -111.6 | 156.4 | 179.4 | -69.6 | -83.9 | 0 | 0 | 0 | 111.1 | R648 S652 D999 | R648-Y650 HydrophobicContact CB-CD2 4.45Å; R648-Y650 HydrophobicContact CB-CE2 3.72Å; R648-Y650 WeakPolarHBondContact CD-OH 3.37Å; R648-Y650 HydrophobicContact CG-CD2 4.37Å; R648-Y650 HydrophobicContact CG-CE1 4.27Å; R648-Y650 HydrophobicContact CG-CE2 3.81Å; R648-Y650 VanDerWaalsContact O-CD2 3.31Å; R648-Y650 WeakPolarHBondContact O-CD2 3.3Å; Y650-S652 PolarHBondContact O-N 3.48Å; Y650-D999 WeakPolarHBondContact CE1-O 3.45Å; Y650-D999 WeakPolarHBondContact CE2-O 3.48Å; Y650-D999 VanDerWaalsContact OH-CB 3.27Å; Y650-D999 WeakPolarHBondContact OH-CB 3.31Å; Y650-D999 PolarHBondContact OH-O 2.93Å | ||
| 651 | P | 84.4 | Confident | 80.3 | Confident | 71 Ų | 71 | 39.6 Ų | 39.6 | 46% | 0.461 | 21% | 0.206 | S | C | . | . | trans | -55.2 | 138.4 | 168.9 | -23.8 | 33.8 | 0 | 0 | 0 | 111.6 | Q19 L20 F21 | Q19-P651 HydrophobicContact CB-CB 4.38Å; Q19-P651 HydrophobicContact CB-CG 4.44Å; L20-P651 CarbonylContact O-C 3.58Å; L20-P651 WeakPolarHBondContact O-CA 3.37Å; F21-P651 HydrophobicContact CE1-CG 4.23Å; F21-P651 HydrophobicContact CE2-CG 4.26Å; F21-P651 HydrophobicContact CZ-CG 3.77Å | ||
| 652 | S | 81.2 | Confident | 80.8 | Confident | 39 Ų | 39 | 40 Ų | 40 | 27% | 0.273 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -116.6 | 160.5 | -179.8 | 61.5 | 0 | 0 | 0 | 0 | 111.4 | L20 R22 Y650 | L20-S652 PolarHBondContact O-N 3.29Å; L20-S652 PolarHBondContact O-OG 3.3Å; R22-S652 WeakPolarHBondContact CD-OG 3.43Å; Y650-S652 PolarHBondContact O-N 3.48Å |
| 653 | V | 82.8 | Confident | 81.7 | Confident | 63 Ų | 63 | 36.9 Ų | 36.9 | 38% | 0.382 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -78.2 | 150.3 | 170.4 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | H655 | V653-H655 PolarHBondContact O-N 2.79Š|
| 654 | S | 87 | Confident | 82.9 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 135.3 | 175.4 | 57.2 | 0 | 0 | 0 | 0 | 112 | I603 | I603-S654 VanDerWaalsContact CD1-CB 3.42Š|
| 655 | H | 91.5 | Very high | 84.6 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 8% | 0.079 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 140.2 | 173 | -167.7 | -96.9 | 0 | 0 | 0 | 109.8 | S609 S610 L611 V653 A690 | S609-H655 WeakPolarHBondContact O-CB 3.3Å; S610-H655 CarbonylContact C-O 3.23Å; S610-H655 WeakPolarHBondContact CA-O 3.45Å; S610-H655 PolarHBondContact OG-ND1 3.02Å; L611-H655 PolarHBondContact N-O 2.81Å; V653-H655 PolarHBondContact O-N 2.79Å; H655-A690 PolarHBondContact CE1-N 3.32Å |
| 656 | A | 92.1 | Very high | 86.3 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 148.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L611 R613 Y631 C689 A690 | L611-A656 CarbonylContact O-C 3.24Å; L611-A656 VanDerWaalsContact O-CA 3.29Å; L611-A656 WeakPolarHBondContact O-CA 3.27Å; R613-A656 HydrophobicContact CB-CB 4.23Å; R613-A656 HydrophobicContact CG-CB 3.82Å; Y631-A656 HydrophobicContact CD1-CB 4.09Å; Y631-A656 HydrophobicContact CG-CB 4.13Å; A656-C689 HydrophobicContact CB-CB 4.44Å; A656-C689 WeakPolarHBondContact O-CB 3.46Å; A656-A690 PolarHBondContact O-N 3.39Å |
| 657 | V | 94.5 | Very high | 88 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 106 | 146.7 | -175.6 | 0 | 0 | 0 | 0 | 106.3 | L154 Y586 V588 L611 R613 Y659 A690 | L154-V657 HydrophobicContact CD2-CG1 3.64Å; L154-V657 HydrophobicContact CG-CG1 4.24Å; Y586-V657 WeakPolarHBondContact OH-CG2 3.34Å; V588-V657 HydrophobicContact CG1-CG2 3.94Å; V588-V657 HydrophobicContact CG2-CG2 4.14Å; L611-V657 PolarHBondContact O-N 3.09Å; R613-V657 PolarHBondContact N-O 3.41Å; V657-Y659 HydrophobicContact CB-CD2 4.36Å; V657-Y659 HydrophobicContact CB-CE2 4.14Å; V657-Y659 HydrophobicContact CG1-CD2 3.72Å; V657-Y659 HydrophobicContact CG1-CE2 3.43Å; V657-Y659 VanDerWaalsContact CG1-CE2 3.43Å; V657-Y659 PolarHBondContact O-N 3.37Å; V657-A690 CarbonylContact C-O 3.54Å; V657-A690 WeakPolarHBondContact CA-O 3.36Å; V657-A690 HydrophobicContact CB-CB 4.36Å; V657-A690 HydrophobicContact CG1-CB 4.38Å; V657-A690 HydrophobicContact CG2-CB 4.01Å |
| 658 | F | 94.1 | Very high | 89 | Confident | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 101.4 | -177.9 | -165.7 | -140.6 | 0 | 0 | 0 | 110.3 | R613 L624 Q627 V628 Y631 A687 A690 I691 G692 | R613-F658 HydrophobicContact CB-CD2 4.05Å; R613-F658 WeakPolarHBondContact O-CA 3.33Å; L624-F658 HydrophobicContact CD1-CZ 4.41Å; Q627-F658 HydrophobicContact CB-CE2 4.44Å; Q627-F658 HydrophobicContact CB-CZ 4.16Å; V628-F658 HydrophobicContact CG2-CE1 3.82Å; V628-F658 HydrophobicContact CG2-CZ 4.34Å; Y631-F658 HydrophobicContact CD2-CD2 4.47Å; Y631-F658 HydrophobicContact CD2-CE2 4.45Å; F658-A687 HydrophobicContact CD1-CB 4.18Å; F658-A690 PolarHBondContact N-O 2.91Å; F658-I691 WeakPolarHBondContact O-CA 3.26Å; F658-G692 PolarHBondContact O-N 3.13Å |
| 659 | Y | 95.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 24 Ų | 24 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 140.6 | 179.7 | -85.2 | -99.7 | 0 | 0 | 0 | 112 | L154 S156 I612 R613 E614 S615 V657 Q661 T662 G692 | L154-Y659 HydrophobicContact CD1-CE1 3.72Å; L154-Y659 HydrophobicContact CD1-CE2 4.28Å; L154-Y659 VanDerWaalsContact CD1-CZ 3.48Å; L154-Y659 WeakPolarHBondContact CD1-OH 3.24Å; S156-Y659 PolarHBondContact OG-OH 3.49Å; I612-Y659 HydrophobicContact CG1-CE2 4.32Å; I612-Y659 HydrophobicContact CG2-CD2 3.89Å; I612-Y659 HydrophobicContact CG2-CE2 4.08Å; R613-Y659 PolarHBondContact O-N 2.91Å; E614-Y659 CarbonylContact C-O 3.53Å; E614-Y659 WeakPolarHBondContact CA-O 3.22Å; S615-Y659 PolarHBondContact N-O 3.42Å; S615-Y659 PolarHBondContact OG-O 2.86Å; V657-Y659 HydrophobicContact CB-CD2 4.36Å; V657-Y659 HydrophobicContact CB-CE2 4.14Å; V657-Y659 HydrophobicContact CG1-CD2 3.72Å; V657-Y659 HydrophobicContact CG1-CE2 3.43Å; V657-Y659 VanDerWaalsContact CG1-CE2 3.43Å; V657-Y659 PolarHBondContact O-N 3.37Å; Y659-Q661 WeakPolarHBondContact CD1-O 3.29Å; Y659-T662 HydrophobicContact CD1-CG2 4.02Å; Y659-T662 HydrophobicContact CD2-CG2 4.08Å; Y659-T662 HydrophobicContact CG-CG2 3.73Å; Y659-G692 CarbonylContact C-O 3.56Å; Y659-G692 VanDerWaalsContact CA-O 3.24Å; Y659-G692 WeakPolarHBondContact CA-O 3.4Å |
| 660 | D | 94.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -69.1 | -45.5 | 160.8 | 51.4 | 36.8 | 0 | 0 | 0 | 111.2 | S615 G692 S693 Y697 K731 | S615-D660 WeakPolarHBondContact OG-CA 3.43Å; S615-D660 PolarHBondContact OG-O 3.1Å; D660-G692 PolarHBondContact N-O 3.3Å; D660-S693 VanDerWaalsContact CG-OG 3.24Å; D660-S693 WeakPolarHBondContact OD1-CA 3.44Å; D660-S693 VanDerWaalsContact OD1-CB 3.28Å; D660-S693 WeakPolarHBondContact OD1-CB 3.38Å; D660-S693 PolarHBondContact OD1-OG 3.09Å; D660-S693 VanDerWaalsContact OD2-CB 3.23Å; D660-S693 WeakPolarHBondContact OD2-CB 3.38Å; D660-S693 PolarHBondContact OD2-OG 2.88Å; D660-Y697 HydrophobicContact CB-CE1 4.26Å; D660-Y697 HydrophobicContact CB-CE2 3.8Å; D660-K731 IonicContact OD2-NZ 2.76Å; D660-K731 PolarHBondContact OD2-NZ 3.12Å |
| 661 | Q | 93.6 | Very high | 89.9 | Confident | 14 Ų | 14 | 28.6 Ų | 28.6 | 7% | 0.065 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -151.4 | 126.8 | 174.1 | -172.5 | -171.3 | -49.6 | 0 | 0 | 109.9 | E614 L616 Y659 N665 T694 Y697 | E614-Q661 WeakPolarHBondContact OE1-CA 3.25Å; L616-Q661 HydrophobicContact CD2-CG 4.16Å; Y659-Q661 WeakPolarHBondContact CD1-O 3.29Å; Q661-N665 HydrophobicContact CG-CB 4.41Å; Q661-N665 PolarHBondContact NE2-O 2.89Å; Q661-T694 WeakPolarHBondContact O-CB 3.47Å; Q661-T694 PolarHBondContact O-OG1 2.8Å; Q661-Y697 HydrophobicContact CB-CD2 3.55Å; Q661-Y697 HydrophobicContact CB-CE2 3.86Å; Q661-Y697 HydrophobicContact CG-CD2 4.47Å |
| 662 | T | 93.6 | Very high | 90.2 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 7% | 0.074 | 14% | 0.142 | C | C | . | . | trans | -76.8 | 162.5 | 169.3 | 60 | 0 | 0 | 0 | 0 | 111.4 | I612 E614 Y659 D664 N665 | I612-T662 HydrophobicContact CG2-CG2 3.96Å; E614-T662 HydrophobicContact CG-CG2 4.42Å; E614-T662 PolarHBondContact OE1-N 3.26Å; E614-T662 PolarHBondContact OE1-OG1 2.84Å; Y659-T662 HydrophobicContact CD1-CG2 4.02Å; Y659-T662 HydrophobicContact CD2-CG2 4.08Å; Y659-T662 HydrophobicContact CG-CG2 3.73Å; T662-D664 WeakPolarHBondContact CB-OD1 3.4Å; T662-D664 PolarHBondContact O-N 2.88Å; T662-D664 PolarHBondContact OG1-OD1 2.94Å; T662-N665 PolarHBondContact O-N 3.13Å; T662-N665 PolarHBondContact OG1-ND2 3.4Å | ||
| 663 | H | 90.9 | Very high | 90.7 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.7 | -168.4 | 59.6 | -84.1 | 0 | 0 | 0 | 114.8 | L158 Y198 T694 | L158-H663 HydrophobicContact CD2-CB 4.35Å; Y198-H663 AromaticContact CE2-NE2 3.39Å; Y198-H663 WeakPolarHBondContact CE2-NE2 3.5Å; Y198-H663 AromaticContact CZ-NE2 3.42Å; Y198-H663 PolarHBondContact OH-CE1 3Å; Y198-H663 PolarHBondContact OH-NE2 2.86Å; H663-T694 HydrophobicContact CB-CG2 3.62Å; H663-T694 PolarHBondContact N-OG1 2.8Å |
| 664 | D | 86.9 | Confident | 91.1 | Very high | 65 Ų | 65 | 22 Ų | 22 | 35% | 0.348 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -3.3 | -179.5 | 60.9 | -31.2 | 0 | 0 | 0 | 113.2 | T662 Y704 V707 | T662-D664 WeakPolarHBondContact CB-OD1 3.4Å; T662-D664 PolarHBondContact O-N 2.88Å; T662-D664 PolarHBondContact OG1-OD1 2.94Å; D664-Y704 WeakPolarHBondContact O-CE2 3.35Å; D664-Y704 PolarHBondContact O-OH 2.93Å; D664-V707 HydrophobicContact CB-CG1 4.39Å |
| 665 | N | 88.9 | Confident | 91.5 | Very high | 36 Ų | 36 | 21.4 Ų | 21.4 | 19% | 0.193 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -94.4 | 152.7 | 179.2 | -95 | -49.9 | 0 | 0 | 0 | 113.2 | E614 L616 Q661 T662 Y704 | E614-N665 PolarHBondContact OE1-ND2 3.36Å; E614-N665 PolarHBondContact OE2-ND2 3.42Å; L616-N665 HydrophobicContact CD2-CB 4.25Å; Q661-N665 HydrophobicContact CG-CB 4.41Å; Q661-N665 PolarHBondContact NE2-O 2.89Å; T662-N665 PolarHBondContact O-N 3.13Å; T662-N665 PolarHBondContact OG1-ND2 3.4Å; N665-Y704 WeakPolarHBondContact O-CD2 3.21Å; N665-Y704 WeakPolarHBondContact O-CE2 3.39Å |
| 666 | P | 87.8 | Confident | 91.7 | Very high | 43 Ų | 43 | 20.6 Ų | 20.6 | 28% | 0.279 | 10% | 0.104 | S | C | . | . | P | Polyproline II helix | trans | -56.2 | 157.5 | 169.8 | -22.4 | 32.8 | 0 | 0 | 0 | 112.4 | E670 | P666-E670 HydrophobicContact CB-CB 4.11Š|
| 667 | S | 92 | Very high | 91.8 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | P | Polyproline II helix | trans | -63 | 152.1 | 177.1 | 70.7 | 0 | 0 | 0 | 0 | 111.7 | L669 E670 K671 Y677 V701 P702 | S667-L669 PolarHBondContact O-N 3.47Å; S667-L669 VanDerWaalsContact O-N 3.12Å; S667-E670 WeakPolarHBondContact CB-OE2 3.44Å; S667-E670 PolarHBondContact N-OE2 2.75Å; S667-E670 WeakPolarHBondContact O-CB 3.15Å; S667-E670 PolarHBondContact O-N 2.94Å; S667-E670 WeakPolarHBondContact OG-CG 3.43Å; S667-E670 PolarHBondContact OG-N 3.5Å; S667-E670 PolarHBondContact OG-OE2 3.02Å; S667-K671 PolarHBondContact O-N 3.09Å; S667-Y677 WeakPolarHBondContact CB-OH 3.39Å; S667-V701 WeakPolarHBondContact CB-O 3.39Å; S667-P702 PolarHBondContact OG-O 3.27Å |
| 668 | V | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.8 | -32.5 | 175.8 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | L616 E670 K671 H672 N676 Y677 L680 Y697 | L616-V668 HydrophobicContact CD1-CG2 4.21Å; V668-E670 VanDerWaalsContact C-N 3.31Å; V668-E670 PolarHBondContact O-N 3.14Å; V668-K671 PolarHBondContact O-N 3.39Å; V668-H672 HydrophobicContact CG1-CB 4.15Å; V668-H672 WeakPolarHBondContact O-CA 3.3Å; V668-H672 WeakPolarHBondContact O-CB 3.29Å; V668-H672 PolarHBondContact O-N 3.02Å; V668-N676 HydrophobicContact CG1-CB 4.03Å; V668-Y677 HydrophobicContact CB-CD1 4.02Å; V668-Y677 HydrophobicContact CB-CD2 3.94Å; V668-Y677 HydrophobicContact CB-CE1 3.74Å; V668-Y677 HydrophobicContact CB-CE2 3.69Å; V668-Y677 HydrophobicContact CB-CG 4.1Å; V668-Y677 HydrophobicContact CG1-CD2 4.2Å; V668-Y677 HydrophobicContact CG1-CE2 4.34Å; V668-Y677 HydrophobicContact CG1-CG 4.43Å; V668-Y677 HydrophobicContact CG2-CD1 3.82Å; V668-Y677 HydrophobicContact CG2-CE1 3.68Å; V668-Y677 HydrophobicContact CG2-CG 4.28Å; V668-Y677 PolarHBondContact N-OH 3.4Å; V668-L680 HydrophobicContact CG1-CD1 3.94Å; V668-L680 HydrophobicContact CG2-CD1 4.17Å; V668-Y697 HydrophobicContact CG2-CD2 4.05Å; V668-Y697 HydrophobicContact CG2-CE2 3.34Å |
| 669 | L | 91.5 | Very high | 92 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 6% | 0.063 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.2 | -26.6 | 178.2 | -177.7 | 59.1 | 0 | 0 | 0 | 113.3 | S667 V674 Y677 P702 P818 Q819 L832 | S667-L669 PolarHBondContact O-N 3.47Å; S667-L669 VanDerWaalsContact O-N 3.12Å; L669-V674 HydrophobicContact CD1-CB 4Å; L669-Y677 HydrophobicContact CB-CE2 4.1Å; L669-P702 HydrophobicContact CD2-CB 3.46Å; L669-P702 VanDerWaalsContact CD2-CB 3.46Å; L669-P818 HydrophobicContact CD1-CG 4.02Å; L669-P818 HydrophobicContact CD2-CG 4.09Å; L669-Q819 HydrophobicContact CD2-CG 3.81Å; L669-Q819 HydrophobicContact CG-CG 4.45Å; L669-L832 HydrophobicContact CD2-CD1 3.98Å |
| 670 | E | 88.8 | Confident | 92 | Very high | 97 Ų | 97 | 20.4 Ų | 20.4 | 45% | 0.453 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -75.6 | -27.3 | 175.6 | -75.3 | 164.2 | 125 | 0 | 0 | 112.4 | P666 S667 V668 Y704 | P666-E670 HydrophobicContact CB-CB 4.11Å; S667-E670 WeakPolarHBondContact CB-OE2 3.44Å; S667-E670 PolarHBondContact N-OE2 2.75Å; S667-E670 WeakPolarHBondContact O-CB 3.15Å; S667-E670 PolarHBondContact O-N 2.94Å; S667-E670 WeakPolarHBondContact OG-CG 3.43Å; S667-E670 PolarHBondContact OG-N 3.5Å; S667-E670 PolarHBondContact OG-OE2 3.02Å; V668-E670 VanDerWaalsContact C-N 3.31Å; V668-E670 PolarHBondContact O-N 3.14Å; E670-Y704 PolarHBondContact OE1-N 3.27Å; E670-Y704 PolarHBondContact OE2-N 3.38Å |
| 671 | K | 85.1 | Confident | 92.1 | Very high | 95 Ų | 95 | 20.2 Ų | 20.2 | 41% | 0.413 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -98.1 | -37 | 178.5 | -73.5 | -173.9 | 177.8 | 176.1 | 0 | 114.1 | L616 S667 V668 | L616-K671 HydrophobicContact CD1-CB 4.37Å; L616-K671 HydrophobicContact CD1-CD 4Å; L616-K671 HydrophobicContact CD2-CD 3.93Å; L616-K671 HydrophobicContact CG-CD 3.74Å; S667-K671 PolarHBondContact O-N 3.09Å; V668-K671 PolarHBondContact O-N 3.39Å |
| 672 | H | 89.9 | Confident | 92.2 | Very high | 32 Ų | 32 | 19.5 Ų | 19.5 | 15% | 0.148 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -126.8 | -119.9 | -170.6 | -57.1 | 153.7 | 0 | 0 | 0 | 110.9 | V668 N676 F780 | V668-H672 HydrophobicContact CG1-CB 4.15Å; V668-H672 WeakPolarHBondContact O-CA 3.3Å; V668-H672 WeakPolarHBondContact O-CB 3.29Å; V668-H672 PolarHBondContact O-N 3.02Å; H672-N676 HydrophobicContact CB-CB 4.12Å; H672-N676 PolarHBondContact ND1-ND2 3.45Å; H672-N676 VanDerWaalsContact ND1-ND2 3.15Å; H672-F780 AromaticContact CD2-CD1 3.88Å; H672-F780 AromaticContact CE1-CD1 3.61Å; H672-F780 AromaticContact CE1-CE1 3.57Å; H672-F780 AromaticContact NE2-CD1 3.45Å; H672-F780 WeakPolarHBondContact NE2-CD1 3.5Å; H672-F780 AromaticContact NE2-CE1 3.78Å |
| 673 | S | 90.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -138.8 | 158.4 | -180 | -178 | 0 | 0 | 0 | 0 | 110.5 | F675 N676 D782 P783 | S673-F675 PolarHBondContact O-N 2.76Å; S673-F675 VanDerWaalsContact O-N 3.17Å; S673-N676 WeakPolarHBondContact O-CB 3.17Å; S673-N676 PolarHBondContact O-N 3.2Å; S673-D782 WeakPolarHBondContact CB-OD1 3.48Å; S673-D782 PolarHBondContact OG-OD1 3.15Å; S673-P783 VanDerWaalsContact OG-CD 3.29Å; S673-P783 WeakPolarHBondContact OG-CD 3.47Å | ||
| 674 | V | 92.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -59.1 | -27.4 | 174.7 | 69.4 | 0 | 0 | 0 | 0 | 111.8 | L669 N676 P818 L832 M835 | L669-V674 HydrophobicContact CD1-CB 4Å; V674-N676 PolarHBondContact O-N 3.31Å; V674-P818 HydrophobicContact CB-CG 3.99Å; V674-P818 HydrophobicContact CG1-CG 3.97Å; V674-L832 HydrophobicContact CG2-CD1 3.79Å; V674-M835 HydrophobicContact CG1-SD 3.94Å; V674-M835 HydrophobicContact CG2-CG 3.69Å; V674-M835 HydrophobicContact CG2-SD 4.02Å |
| 675 | F | 94.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -73.2 | -12.3 | 177.5 | -65.7 | -80.3 | 0 | 0 | 0 | 113.4 | S673 P679 A779 P783 G784 P787 F812 Y816 M835 G875 | S673-F675 PolarHBondContact O-N 2.76Å; S673-F675 VanDerWaalsContact O-N 3.17Å; F675-P679 WeakPolarHBondContact O-CD 3.41Å; F675-P679 WeakPolarHBondContact O-CG 3.43Å; F675-A779 HydrophobicContact CB-CB 3.8Å; F675-P783 HydrophobicContact CB-CG 4.42Å; F675-P783 HydrophobicContact CD2-CG 3.56Å; F675-P783 HydrophobicContact CE2-CG 4.08Å; F675-P783 HydrophobicContact CG-CG 4.16Å; F675-G784 VanDerWaalsContact CE2-O 3.29Å; F675-G784 WeakPolarHBondContact CE2-O 3.36Å; F675-P787 HydrophobicContact CD1-CG 4.05Å; F675-P787 HydrophobicContact CE1-CG 3.55Å; F675-P787 HydrophobicContact CE2-CG 4.09Å; F675-P787 HydrophobicContact CZ-CG 3.57Å; F675-F812 HydrophobicContact CE1-CB 4.21Å; F675-F812 HydrophobicContact CZ-CB 3.63Å; F675-F812 HydrophobicContact CZ-CG 4.49Å; F675-Y816 HydrophobicContact CE2-CE2 4.47Å; F675-M835 HydrophobicContact CD1-CE 3.71Å; F675-M835 HydrophobicContact CE1-CE 3.71Å; F675-M835 HydrophobicContact CE1-SD 4.28Å; F675-M835 HydrophobicContact CG-CE 4.48Å; F675-M835 HydrophobicContact CZ-CE 4.49Å; F675-G875 WeakPolarHBondContact O-CA 3.43Å |
| 676 | N | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -91.2 | -12.4 | -174.6 | -146.1 | 26.7 | 0 | 0 | 0 | 114.6 | V668 H672 S673 V674 L678 P679 L680 A779 | V668-N676 HydrophobicContact CG1-CB 4.03Å; H672-N676 HydrophobicContact CB-CB 4.12Å; H672-N676 PolarHBondContact ND1-ND2 3.45Å; H672-N676 VanDerWaalsContact ND1-ND2 3.15Å; S673-N676 WeakPolarHBondContact O-CB 3.17Å; S673-N676 PolarHBondContact O-N 3.2Å; V674-N676 PolarHBondContact O-N 3.31Å; N676-L678 PolarHBondContact O-N 3.47Å; N676-P679 WeakPolarHBondContact O-CD 3.34Å; N676-L680 WeakPolarHBondContact O-CG 3.38Å; N676-L680 PolarHBondContact O-N 2.92Å; N676-L680 VanDerWaalsContact O-N 3.16Å; N676-A779 HydrophobicContact CB-CB 4.17Å; N676-A779 WeakPolarHBondContact CB-O 3.5Å; N676-A779 PolarHBondContact OD1-N 3.29Å |
| 677 | Y | 95.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 0% | 0.004 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.1 | -46.8 | 176.4 | -80.7 | -91.6 | 0 | 0 | 0 | 112.4 | S667 V668 L669 S681 Y697 L700 V701 | S667-Y677 WeakPolarHBondContact CB-OH 3.39Å; V668-Y677 HydrophobicContact CB-CD1 4.02Å; V668-Y677 HydrophobicContact CB-CD2 3.94Å; V668-Y677 HydrophobicContact CB-CE1 3.74Å; V668-Y677 HydrophobicContact CB-CE2 3.69Å; V668-Y677 HydrophobicContact CB-CG 4.1Å; V668-Y677 HydrophobicContact CG1-CD2 4.2Å; V668-Y677 HydrophobicContact CG1-CE2 4.34Å; V668-Y677 HydrophobicContact CG1-CG 4.43Å; V668-Y677 HydrophobicContact CG2-CD1 3.82Å; V668-Y677 HydrophobicContact CG2-CE1 3.68Å; V668-Y677 HydrophobicContact CG2-CG 4.28Å; V668-Y677 PolarHBondContact N-OH 3.4Å; L669-Y677 HydrophobicContact CB-CE2 4.1Å; Y677-S681 PolarHBondContact O-N 3.48Å; Y677-S681 PolarHBondContact O-OG 2.98Å; Y677-Y697 WeakPolarHBondContact CA-OH 3.21Å; Y677-Y697 AromaticContact CD1-CD1 3.94Å; Y677-Y697 HydrophobicContact CD1-CD1 3.94Å; Y677-Y697 AromaticContact CD1-CD2 3.76Å; Y677-Y697 HydrophobicContact CD1-CD2 3.76Å; Y677-Y697 AromaticContact CD1-CE1 3.72Å; Y677-Y697 HydrophobicContact CD1-CE1 3.72Å; Y677-Y697 AromaticContact CD1-CE2 3.63Å; Y677-Y697 HydrophobicContact CD1-CE2 3.63Å; Y677-Y697 AromaticContact CD1-CG 3.94Å; Y677-Y697 HydrophobicContact CD1-CG 3.94Å; Y677-Y697 AromaticContact CD1-CZ 3.59Å; Y677-Y697 AromaticContact CE1-CD2 3.8Å; Y677-Y697 HydrophobicContact CE1-CD2 3.8Å; Y677-Y697 AromaticContact CE1-CE2 4Å; Y677-Y697 HydrophobicContact CE1-CE2 4Å; Y677-Y697 HydrophobicContact CE1-CG 4.13Å; Y677-Y697 PolarHBondContact O-OH 3.37Å; Y677-L700 HydrophobicContact CD1-CD2 3.77Å; Y677-L700 HydrophobicContact CD2-CD2 3.63Å; Y677-L700 HydrophobicContact CE1-CD2 4.33Å; Y677-L700 HydrophobicContact CE2-CD2 4.16Å; Y677-L700 HydrophobicContact CG-CD2 3.4Å; Y677-L700 VanDerWaalsContact CG-CD2 3.4Å; Y677-V701 PolarHBondContact OH-O 3Å; Y677-V701 VanDerWaalsContact OH-O 3.11Å |
| 678 | L | 96.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -70.3 | -48 | -177.8 | 176.8 | 66.1 | 0 | 0 | 0 | 112.4 | N676 L680 S681 A682 I727 P730 L734 I808 Y837 V877 | N676-L678 PolarHBondContact O-N 3.47Å; L678-L680 PolarHBondContact O-N 2.73Å; L678-S681 WeakPolarHBondContact O-CB 3.34Å; L678-S681 PolarHBondContact O-N 2.93Å; L678-A682 WeakPolarHBondContact O-CB 3.37Å; L678-A682 PolarHBondContact O-N 3.05Å; L678-I727 HydrophobicContact CB-CG2 4.33Å; L678-P730 HydrophobicContact CD1-CB 3.72Å; L678-L734 HydrophobicContact CD1-CD1 3.81Å; L678-I808 HydrophobicContact CD1-CD1 4.36Å; L678-I808 HydrophobicContact CD1-CG2 4.49Å; L678-I808 HydrophobicContact CD2-CB 3.91Å; L678-I808 HydrophobicContact CD2-CG2 3.36Å; L678-Y837 HydrophobicContact CD2-CD1 4.09Å; L678-Y837 HydrophobicContact CD2-CE1 4.02Å; L678-V877 HydrophobicContact CD1-CG2 4.45Å; L678-V877 HydrophobicContact CD2-CB 4.43Å; L678-V877 HydrophobicContact CD2-CG2 4.07Å; L678-V877 HydrophobicContact CG-CG2 3.76Å |
| 679 | P | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -53.2 | -47.4 | 173.7 | -32.7 | 37.3 | 0 | 0 | 0 | 115 | F675 N676 S681 A682 V683 T776 H777 T778 | F675-P679 WeakPolarHBondContact O-CD 3.41Å; F675-P679 WeakPolarHBondContact O-CG 3.43Å; N676-P679 WeakPolarHBondContact O-CD 3.34Å; P679-S681 VanDerWaalsContact C-N 3.34Å; P679-S681 PolarHBondContact O-N 3.28Å; P679-A682 PolarHBondContact O-N 2.82Å; P679-V683 WeakPolarHBondContact O-CG2 3.42Å; P679-V683 PolarHBondContact O-N 3.01Å; P679-T776 WeakPolarHBondContact CA-OG1 3.41Å; P679-T776 VanDerWaalsContact CB-OG1 3.26Å; P679-T776 WeakPolarHBondContact CB-OG1 3.39Å; P679-H777 VanDerWaalsContact CG-O 3.25Å; P679-H777 WeakPolarHBondContact CG-O 3.35Å; P679-T778 HydrophobicContact CB-CG2 4.16Å |
| 680 | L | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 179.4 | -69.3 | 175.9 | 0 | 0 | 0 | 111.3 | L616 L624 V668 N676 L678 A682 V683 G684 F780 | L616-L680 HydrophobicContact CD1-CD1 4.45Å; L624-L680 HydrophobicContact CD1-CD2 4.16Å; L624-L680 HydrophobicContact CD2-CD2 3.8Å; V668-L680 HydrophobicContact CG1-CD1 3.94Å; V668-L680 HydrophobicContact CG2-CD1 4.17Å; N676-L680 WeakPolarHBondContact O-CG 3.38Å; N676-L680 PolarHBondContact O-N 2.92Å; N676-L680 VanDerWaalsContact O-N 3.16Å; L678-L680 PolarHBondContact O-N 2.73Å; L680-A682 PolarHBondContact O-N 2.79Å; L680-V683 PolarHBondContact O-N 3Å; L680-G684 PolarHBondContact O-N 3.46Å; L680-F780 HydrophobicContact CD2-CZ 4.47Å |
| 681 | S | 95.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 8 Ų | 8 | 2% | 0.021 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 174.3 | -75.7 | 0 | 0 | 0 | 0 | 113.2 | Y677 L678 P679 G684 S685 Y697 K731 | Y677-S681 PolarHBondContact O-N 3.48Å; Y677-S681 PolarHBondContact O-OG 2.98Å; L678-S681 WeakPolarHBondContact O-CB 3.34Å; L678-S681 PolarHBondContact O-N 2.93Å; P679-S681 VanDerWaalsContact C-N 3.34Å; P679-S681 PolarHBondContact O-N 3.28Å; S681-G684 PolarHBondContact O-N 2.78Å; S681-S685 PolarHBondContact O-N 3.28Å; S681-Y697 VanDerWaalsContact OG-CE1 3.23Å; S681-Y697 WeakPolarHBondContact OG-CE1 3.47Å; S681-K731 PolarHBondContact OG-NZ 2.87Å |
| 682 | A | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -66.4 | -45.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L678 P679 L680 G684 S685 F686 L734 L774 V877 | L678-A682 WeakPolarHBondContact O-CB 3.37Å; L678-A682 PolarHBondContact O-N 3.05Å; P679-A682 PolarHBondContact O-N 2.82Å; L680-A682 PolarHBondContact O-N 2.79Å; A682-G684 PolarHBondContact O-N 3.17Å; A682-S685 PolarHBondContact O-N 3.25Å; A682-S685 PolarHBondContact O-OG 3.29Å; A682-F686 PolarHBondContact O-N 2.77Å; A682-L734 HydrophobicContact CB-CD1 3.99Å; A682-L734 HydrophobicContact CB-CD2 4.06Å; A682-L774 VanDerWaalsContact C-CD2 3.46Å; A682-L774 HydrophobicContact CB-CD1 3.81Å; A682-L774 HydrophobicContact CB-CD2 4.16Å; A682-L774 VanDerWaalsContact O-CD2 3.3Å; A682-L774 WeakPolarHBondContact O-CD2 3.46Å; A682-V877 HydrophobicContact CB-CB 4.4Å; A682-V877 HydrophobicContact CB-CG1 3.8Å; A682-V877 HydrophobicContact CB-CG2 3.64Å |
| 683 | V | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 176.2 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | L624 V628 P679 L680 S685 F686 L759 L774 T776 | L624-V683 HydrophobicContact CD1-CG1 4.03Å; L624-V683 HydrophobicContact CD2-CB 4.3Å; L624-V683 HydrophobicContact CD2-CG1 4.1Å; L624-V683 HydrophobicContact CD2-CG2 4.12Å; L624-V683 HydrophobicContact CG-CG1 3.93Å; V628-V683 HydrophobicContact CB-CG1 4.35Å; V628-V683 HydrophobicContact CG2-CG1 3.16Å; P679-V683 WeakPolarHBondContact O-CG2 3.42Å; P679-V683 PolarHBondContact O-N 3.01Å; L680-V683 PolarHBondContact O-N 3Å; V683-S685 VanDerWaalsContact C-N 3.29Å; V683-S685 PolarHBondContact O-N 3.5Å; V683-F686 PolarHBondContact O-N 3.48Å; V683-F686 VanDerWaalsContact O-N 3.1Å; V683-L759 HydrophobicContact CG1-CD2 4.13Å; V683-L759 HydrophobicContact CG2-CD2 3.84Å; V683-L774 HydrophobicContact CG2-CD2 4.13Å; V683-T776 HydrophobicContact CG2-CG2 3.46Å; V683-T776 VanDerWaalsContact CG2-CG2 3.46Å |
| 684 | G | 93 | Very high | 94.6 | Very high | 10 Ų | 10 | 2.4 Ų | 2.4 | 10% | 0.103 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -55.7 | -42.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | L680 S681 A682 F686 A687 I691 | L680-G684 PolarHBondContact O-N 3.46Å; S681-G684 PolarHBondContact O-N 2.78Å; A682-G684 PolarHBondContact O-N 3.17Å; G684-F686 PolarHBondContact O-N 2.9Å; G684-A687 WeakPolarHBondContact O-CB 3.23Å; G684-A687 PolarHBondContact O-N 3.18Å; G684-I691 VanDerWaalsContact O-CG2 3.25Å; G684-I691 WeakPolarHBondContact O-CG2 3.49Å |
| 685 | S | 94.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -61.2 | -19.8 | 179.6 | 74.8 | 0 | 0 | 0 | 0 | 114.4 | S681 A682 V683 L734 H738 | S681-S685 PolarHBondContact O-N 3.28Å; A682-S685 PolarHBondContact O-N 3.25Å; A682-S685 PolarHBondContact O-OG 3.29Å; V683-S685 VanDerWaalsContact C-N 3.29Å; V683-S685 PolarHBondContact O-N 3.5Å; S685-L734 WeakPolarHBondContact CB-O 3.17Å; S685-H738 WeakPolarHBondContact O-CB 3.4Å; S685-H738 PolarHBondContact O-ND1 3.09Å |
| 686 | F | 94.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 2% | 0.019 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -4 | 177.4 | -85.3 | -114.6 | 0 | 0 | 0 | 114.3 | A682 V683 G684 L737 L741 V761 R763 V772 L774 V879 | A682-F686 PolarHBondContact O-N 2.77Å; V683-F686 PolarHBondContact O-N 3.48Å; V683-F686 VanDerWaalsContact O-N 3.1Å; G684-F686 PolarHBondContact O-N 2.9Å; F686-L737 HydrophobicContact CE2-CD2 3.51Å; F686-L737 HydrophobicContact CE2-CG 4.33Å; F686-L737 HydrophobicContact CZ-CD2 4Å; F686-L741 HydrophobicContact CD2-CD1 4.42Å; F686-L741 HydrophobicContact CE1-CD1 4.37Å; F686-L741 HydrophobicContact CE2-CD1 4.21Å; F686-L741 HydrophobicContact CZ-CD1 4.16Å; F686-V761 HydrophobicContact CB-CB 4.07Å; F686-V761 HydrophobicContact CB-CG1 3.66Å; F686-V761 HydrophobicContact CD1-CB 4.26Å; F686-V761 HydrophobicContact CD1-CG1 4.18Å; F686-V761 VanDerWaalsContact CD1-O 3.27Å; F686-V761 WeakPolarHBondContact CD1-O 3.37Å; F686-V761 WeakPolarHBondContact CE1-O 3.33Å; F686-V761 HydrophobicContact CG-CB 4.4Å; F686-V761 HydrophobicContact CG-CG1 4.33Å; F686-R763 HydrophobicContact CD1-CG 3.89Å; F686-R763 WeakPolarHBondContact O-CD 3.17Å; F686-V772 HydrophobicContact CE1-CB 4.38Å; F686-V772 HydrophobicContact CE1-CG1 3.88Å; F686-V772 WeakPolarHBondContact CE1-O 3.48Å; F686-V772 HydrophobicContact CZ-CG1 3.67Å; F686-L774 HydrophobicContact CB-CD2 4.32Å; F686-L774 HydrophobicContact CD1-CB 3.76Å; F686-L774 HydrophobicContact CD2-CB 3.77Å; F686-L774 HydrophobicContact CD2-CD2 3.78Å; F686-L774 HydrophobicContact CD2-CG 4.29Å; F686-L774 HydrophobicContact CE1-CB 3.61Å; F686-L774 HydrophobicContact CE2-CB 3.62Å; F686-L774 HydrophobicContact CE2-CD1 4.44Å; F686-L774 HydrophobicContact CE2-CD2 4.3Å; F686-L774 HydrophobicContact CE2-CG 4.34Å; F686-L774 HydrophobicContact CG-CB 3.86Å; F686-L774 HydrophobicContact CG-CD2 4.02Å; F686-L774 HydrophobicContact CZ-CB 3.55Å; F686-V879 HydrophobicContact CE2-CG1 4.37Å; F686-V879 HydrophobicContact CE2-CG2 4.05Å; F686-V879 HydrophobicContact CZ-CG1 3.74Å; F686-V879 HydrophobicContact CZ-CG2 4.13Å |
| 687 | A | 91.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.019 | C | C | . | . | S | Bend | trans | -71.4 | 137.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F658 G684 C689 H738 R763 | F658-A687 HydrophobicContact CD1-CB 4.18Å; G684-A687 WeakPolarHBondContact O-CB 3.23Å; G684-A687 PolarHBondContact O-N 3.18Å; A687-C689 PolarHBondContact O-N 3.42Å; A687-C689 VanDerWaalsContact O-N 3.09Å; A687-H738 PolarHBondContact O-CE1 3.25Å; A687-H738 VanDerWaalsContact O-CE1 3.25Å; A687-R763 PolarHBondContact O-NH1 3.32Å |
| 688 | C | 90.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 2.6 Ų | 2.6 | 10% | 0.101 | 2% | 0.019 | C | C | . | . | S | Bend | trans | -80.8 | 45.4 | 172.4 | -164.9 | 0 | 0 | 0 | 0 | 113.4 | S150 G632 R763 | S150-C688 PolarHBondContact OG-O 2.95Å; G632-C688 VanDerWaalsContact CA-N 3.27Å; G632-C688 WeakPolarHBondContact O-CA 3.47Å; G632-C688 WeakPolarHBondContact O-CB 3.26Å; G632-C688 PolarHBondContact O-N 2.83Å; C688-R763 VanDerWaalsContact CA-NH2 3.33Å; C688-R763 PolarHBondContact SG-NH2 2.88Å |
| 689 | C | 92.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 2.6 Ų | 2.6 | 1% | 0.007 | 2% | 0.019 | C | C | . | . | S | Bend | trans | -142 | 178.4 | 177.1 | 62.7 | 0 | 0 | 0 | 0 | 110.2 | Y631 A656 A687 H738 | Y631-C689 WeakPolarHBondContact O-CB 3.42Å; A656-C689 HydrophobicContact CB-CB 4.44Å; A656-C689 WeakPolarHBondContact O-CB 3.46Å; A687-C689 PolarHBondContact O-N 3.42Å; A687-C689 VanDerWaalsContact O-N 3.09Å; C689-H738 PolarHBondContact O-CE1 3.11Å; C689-H738 PolarHBondContact O-NE2 3.35Å |
| 690 | A | 94.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.019 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 143.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L149 V152 H655 A656 V657 F658 | L149-A690 WeakPolarHBondContact O-CB 3.46Å; V152-A690 HydrophobicContact CB-CB 3.71Å; V152-A690 HydrophobicContact CG1-CB 4.12Å; V152-A690 WeakPolarHBondContact O-CA 3.23Å; H655-A690 PolarHBondContact CE1-N 3.32Å; A656-A690 PolarHBondContact O-N 3.39Å; V657-A690 CarbonylContact C-O 3.54Å; V657-A690 WeakPolarHBondContact CA-O 3.36Å; V657-A690 HydrophobicContact CB-CB 4.36Å; V657-A690 HydrophobicContact CG1-CB 4.38Å; V657-A690 HydrophobicContact CG2-CB 4.01Å; F658-A690 PolarHBondContact N-O 2.91Å |
| 691 | I | 95.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 2.8 Ų | 2.8 | 4% | 0.041 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 143 | 174.8 | 62.6 | 170.3 | 0 | 0 | 0 | 111.3 | V152 V153 L154 F658 G684 H738 | V152-I691 PolarHBondContact O-N 3.25Å; V153-I691 HydrophobicContact CB-CD1 4.47Å; V153-I691 HydrophobicContact CB-CG1 4.19Å; V153-I691 HydrophobicContact CG1-CD1 3.92Å; V153-I691 HydrophobicContact CG1-CG1 4Å; V153-I691 HydrophobicContact CG2-CD1 4.03Å; V153-I691 HydrophobicContact CG2-CG1 3.92Å; L154-I691 PolarHBondContact N-O 3.16Å; F658-I691 WeakPolarHBondContact O-CA 3.26Å; G684-I691 VanDerWaalsContact O-CG2 3.25Å; G684-I691 WeakPolarHBondContact O-CG2 3.49Å; I691-H738 HydrophobicContact CD1-CB 3.86Å |
| 692 | G | 95.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 3 Ų | 3 | 4% | 0.041 | 2% | 0.022 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 150.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L154 F658 Y659 D660 | L154-G692 CarbonylContact O-C 3.59Å; L154-G692 WeakPolarHBondContact O-CA 3.31Å; F658-G692 PolarHBondContact O-N 3.13Å; Y659-G692 CarbonylContact C-O 3.56Å; Y659-G692 VanDerWaalsContact CA-O 3.24Å; Y659-G692 WeakPolarHBondContact CA-O 3.4Å; D660-G692 PolarHBondContact N-O 3.3Å |
| 693 | S | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 174.2 | 167.7 | -166.3 | 0 | 0 | 0 | 0 | 110.8 | L154 Q155 S156 D660 | L154-S693 PolarHBondContact O-N 2.68Å; Q155-S693 CarbonylContact C-O 3.6Å; Q155-S693 WeakPolarHBondContact CA-O 3.29Å; S156-S693 PolarHBondContact N-O 3.07Å; D660-S693 VanDerWaalsContact CG-OG 3.24Å; D660-S693 WeakPolarHBondContact OD1-CA 3.44Å; D660-S693 VanDerWaalsContact OD1-CB 3.28Å; D660-S693 WeakPolarHBondContact OD1-CB 3.38Å; D660-S693 PolarHBondContact OD1-OG 3.09Å; D660-S693 VanDerWaalsContact OD2-CB 3.23Å; D660-S693 WeakPolarHBondContact OD2-CB 3.38Å; D660-S693 PolarHBondContact OD2-OG 2.88Å |
| 694 | T | 95.8 | Very high | 94 | Very high | 5 Ų | 5 | 7.7 Ų | 7.7 | 3% | 0.031 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 139 | 175.3 | -61.2 | 0 | 0 | 0 | 0 | 110.4 | Q661 H663 G696 Y697 | Q661-T694 WeakPolarHBondContact O-CB 3.47Å; Q661-T694 PolarHBondContact O-OG1 2.8Å; H663-T694 HydrophobicContact CB-CG2 3.62Å; H663-T694 PolarHBondContact N-OG1 2.8Å; T694-G696 PolarHBondContact O-N 2.82Å; T694-Y697 WeakPolarHBondContact O-CB 3.43Å; T694-Y697 PolarHBondContact O-N 3.13Å |
| 695 | R | 95.4 | Very high | 94 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 0% | 0.004 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 129.3 | 175 | -171.6 | 63 | 166.7 | 140.1 | 17.4 | 111.5 | S156 Y157 T174 E699 I705 Y714 | S156-R695 WeakPolarHBondContact O-CB 3.45Å; S156-R695 PolarHBondContact O-N 2.81Å; Y157-R695 HydrophobicContact CD1-CB 3.86Å; Y157-R695 HydrophobicContact CD1-CG 3.81Å; Y157-R695 HydrophobicContact CD2-CB 4.35Å; Y157-R695 HydrophobicContact CE1-CB 3.81Å; Y157-R695 HydrophobicContact CE1-CG 3.43Å; Y157-R695 VanDerWaalsContact CE1-CG 3.43Å; Y157-R695 HydrophobicContact CE2-CB 4.28Å; Y157-R695 HydrophobicContact CG-CB 4.13Å; Y157-R695 WeakPolarHBondContact OH-CD 3.07Å; Y157-R695 PolarHBondContact OH-NE 2.82Å; T174-R695 VanDerWaalsContact CB-CZ 3.44Å; T174-R695 VanDerWaalsContact CB-NH1 3.27Å; T174-R695 VanDerWaalsContact CG2-NH1 3.33Å; T174-R695 PolarHBondContact OG1-NE 2.81Å; T174-R695 PolarHBondContact OG1-NH1 2.97Å; T174-R695 PolarHBondContact OG1-NH2 2.93Å; R695-E699 VanDerWaalsContact CZ-CD 3.49Å; R695-E699 IonicContact CZ-OE1 3.54Å; R695-E699 IonicContact CZ-OE2 3.97Å; R695-E699 IonicContact NE-OE1 3.38Å; R695-E699 PolarHBondContact NE-OE1 2.96Å; R695-E699 IonicContact NH1-OE1 3.63Å; R695-E699 PolarHBondContact NH1-OE1 2.8Å; R695-E699 IonicContact NH1-OE2 2.78Å; R695-E699 PolarHBondContact NH1-OE2 3.46Å; R695-E699 IonicContact NH2-OE1 2.66Å; R695-E699 PolarHBondContact NH2-OE1 3.14Å; R695-I705 WeakPolarHBondContact O-CD1 3.41Å; R695-Y714 HydrophobicContact CB-CD1 4.18Å; R695-Y714 HydrophobicContact CB-CE1 3.67Å; R695-Y714 HydrophobicContact CB-CE2 4.33Å; R695-Y714 HydrophobicContact CG-CD1 3.37Å; R695-Y714 HydrophobicContact CG-CD2 4.24Å; R695-Y714 HydrophobicContact CG-CE1 3.39Å; R695-Y714 HydrophobicContact CG-CE2 4.24Å; R695-Y714 HydrophobicContact CG-CG 3.81Å |
| 696 | G | 94.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 9.7 Ų | 9.7 | 3% | 0.031 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.4 | -28.2 | -169 | 0 | 0 | 0 | 0 | 0 | 113 | T694 E699 L700 V701 | T694-G696 PolarHBondContact O-N 2.82Å; G696-E699 VanDerWaalsContact CA-OE2 3.26Å; G696-E699 WeakPolarHBondContact CA-OE2 3.17Å; G696-E699 PolarHBondContact N-OE2 3.5Å; G696-L700 PolarHBondContact O-N 3.17Å; G696-V701 WeakPolarHBondContact O-CB 3.32Å; G696-V701 VanDerWaalsContact O-CG2 3.28Å; G696-V701 WeakPolarHBondContact O-CG2 3.42Å; G696-V701 PolarHBondContact O-N 3.5Å |
| 697 | Y | 95.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.008 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -50.5 | 171.7 | -173.1 | -82.4 | 0 | 0 | 0 | 110.7 | D660 Q661 V668 Y677 S681 T694 E699 L700 I727 | D660-Y697 HydrophobicContact CB-CE1 4.26Å; D660-Y697 HydrophobicContact CB-CE2 3.8Å; Q661-Y697 HydrophobicContact CB-CD2 3.55Å; Q661-Y697 HydrophobicContact CB-CE2 3.86Å; Q661-Y697 HydrophobicContact CG-CD2 4.47Å; V668-Y697 HydrophobicContact CG2-CD2 4.05Å; V668-Y697 HydrophobicContact CG2-CE2 3.34Å; Y677-Y697 WeakPolarHBondContact CA-OH 3.21Å; Y677-Y697 AromaticContact CD1-CD1 3.94Å; Y677-Y697 HydrophobicContact CD1-CD1 3.94Å; Y677-Y697 AromaticContact CD1-CD2 3.76Å; Y677-Y697 HydrophobicContact CD1-CD2 3.76Å; Y677-Y697 AromaticContact CD1-CE1 3.72Å; Y677-Y697 HydrophobicContact CD1-CE1 3.72Å; Y677-Y697 AromaticContact CD1-CE2 3.63Å; Y677-Y697 HydrophobicContact CD1-CE2 3.63Å; Y677-Y697 AromaticContact CD1-CG 3.94Å; Y677-Y697 HydrophobicContact CD1-CG 3.94Å; Y677-Y697 AromaticContact CD1-CZ 3.59Å; Y677-Y697 AromaticContact CE1-CD2 3.8Å; Y677-Y697 HydrophobicContact CE1-CD2 3.8Å; Y677-Y697 AromaticContact CE1-CE2 4Å; Y677-Y697 HydrophobicContact CE1-CE2 4Å; Y677-Y697 HydrophobicContact CE1-CG 4.13Å; Y677-Y697 PolarHBondContact O-OH 3.37Å; S681-Y697 VanDerWaalsContact OG-CE1 3.23Å; S681-Y697 WeakPolarHBondContact OG-CE1 3.47Å; T694-Y697 WeakPolarHBondContact O-CB 3.43Å; T694-Y697 PolarHBondContact O-N 3.13Å; Y697-E699 PolarHBondContact O-N 3.41Å; Y697-L700 PolarHBondContact O-N 3.14Å; Y697-I727 HydrophobicContact CD1-CD1 3.87Å; Y697-I727 HydrophobicContact CE1-CD1 3.6Å |
| 698 | D | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -30 | -177.3 | -62.7 | -9.5 | 0 | 0 | 0 | 112.4 | Q155 Y180 L700 G726 I727 I728 K731 | Q155-D698 PolarHBondContact NE2-OD2 2.85Å; Y180-D698 WeakPolarHBondContact CE2-OD2 3.33Å; Y180-D698 PolarHBondContact OH-OD1 2.89Å; Y180-D698 PolarHBondContact OH-OD2 3.43Å; D698-L700 VanDerWaalsContact C-N 3.32Å; D698-G726 CarbonylContact O-C 3.49Å; D698-G726 WeakPolarHBondContact O-CA 3.46Å; D698-I727 HydrophobicContact CB-CG1 4.46Å; D698-I727 WeakPolarHBondContact O-CG1 3.3Å; D698-I727 PolarHBondContact O-N 3.19Å; D698-I728 HydrophobicContact CB-CG1 3.73Å; D698-I728 PolarHBondContact O-N 3.07Å; D698-K731 WeakPolarHBondContact OD1-CG 3.48Å |
| 699 | E | 94.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.009 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -5.5 | 175.6 | -63.9 | 102.3 | 133.5 | 0 | 0 | 114.4 | R695 G696 Y697 V701 V721 I725 I728 G831 L832 | R695-E699 VanDerWaalsContact CZ-CD 3.49Å; R695-E699 IonicContact CZ-OE1 3.54Å; R695-E699 IonicContact CZ-OE2 3.97Å; R695-E699 IonicContact NE-OE1 3.38Å; R695-E699 PolarHBondContact NE-OE1 2.96Å; R695-E699 IonicContact NH1-OE1 3.63Å; R695-E699 PolarHBondContact NH1-OE1 2.8Å; R695-E699 IonicContact NH1-OE2 2.78Å; R695-E699 PolarHBondContact NH1-OE2 3.46Å; R695-E699 IonicContact NH2-OE1 2.66Å; R695-E699 PolarHBondContact NH2-OE1 3.14Å; G696-E699 VanDerWaalsContact CA-OE2 3.26Å; G696-E699 WeakPolarHBondContact CA-OE2 3.17Å; G696-E699 PolarHBondContact N-OE2 3.5Å; Y697-E699 PolarHBondContact O-N 3.41Å; E699-V701 HydrophobicContact CB-CG2 4.28Å; E699-V721 HydrophobicContact CG-CG2 4.12Å; E699-I725 HydrophobicContact CB-CG2 4.4Å; E699-I725 HydrophobicContact CG-CG2 4.26Å; E699-I728 HydrophobicContact CG-CD1 4.14Å; E699-G831 CarbonylContact O-C 3.49Å; E699-G831 VanDerWaalsContact O-CA 3.24Å; E699-G831 WeakPolarHBondContact O-CA 3.26Å; E699-L832 PolarHBondContact O-N 2.87Å |
| 700 | L | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 48.1 | -173.4 | -49.6 | 175.3 | 0 | 0 | 0 | 112.1 | Y677 G696 Y697 D698 P702 I727 L832 M835 Y837 | Y677-L700 HydrophobicContact CD1-CD2 3.77Å; Y677-L700 HydrophobicContact CD2-CD2 3.63Å; Y677-L700 HydrophobicContact CE1-CD2 4.33Å; Y677-L700 HydrophobicContact CE2-CD2 4.16Å; Y677-L700 HydrophobicContact CG-CD2 3.4Å; Y677-L700 VanDerWaalsContact CG-CD2 3.4Å; G696-L700 PolarHBondContact O-N 3.17Å; Y697-L700 PolarHBondContact O-N 3.14Å; D698-L700 VanDerWaalsContact C-N 3.32Å; L700-P702 WeakPolarHBondContact O-CD 3.28Å; L700-I727 HydrophobicContact CD2-CG1 4.35Å; L700-I727 HydrophobicContact CD2-CG2 3.98Å; L700-L832 HydrophobicContact CB-CB 4.1Å; L700-L832 HydrophobicContact CB-CD1 4.45Å; L700-L832 WeakPolarHBondContact O-CG 3.3Å; L700-L832 PolarHBondContact O-N 3.32Å; L700-L832 VanDerWaalsContact O-N 3.08Å; L700-M835 HydrophobicContact CD1-CB 3.72Å; L700-M835 HydrophobicContact CD1-CG 3.68Å; L700-Y837 WeakPolarHBondContact CD1-OH 3.38Å |
| 701 | V | 95 | Very high | 93.1 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | trans | -62.6 | 119.6 | 173.8 | 179 | 0 | 0 | 0 | 0 | 108.6 | S667 Y677 G696 E699 H703 I705 I829 | S667-V701 WeakPolarHBondContact CB-O 3.39Å; Y677-V701 PolarHBondContact OH-O 3Å; Y677-V701 VanDerWaalsContact OH-O 3.11Å; G696-V701 WeakPolarHBondContact O-CB 3.32Å; G696-V701 VanDerWaalsContact O-CG2 3.28Å; G696-V701 WeakPolarHBondContact O-CG2 3.42Å; G696-V701 PolarHBondContact O-N 3.5Å; E699-V701 HydrophobicContact CB-CG2 4.28Å; V701-H703 VanDerWaalsContact C-N 3.25Å; V701-H703 VanDerWaalsContact CG1-CE1 3.47Å; V701-H703 WeakPolarHBondContact CG1-CE1 3.5Å; V701-H703 WeakPolarHBondContact CG1-O 3.39Å; V701-H703 PolarHBondContact O-N 2.82Å; V701-I705 HydrophobicContact CB-CD1 4.27Å; V701-I705 HydrophobicContact CG1-CD1 4.13Å; V701-I705 HydrophobicContact CG1-CG1 3.94Å; V701-I705 HydrophobicContact CG2-CD1 4.24Å; V701-I829 HydrophobicContact CG1-CG2 4.3Å; V701-I829 HydrophobicContact CG2-CG2 3.65Å | ||
| 702 | P | 92.7 | Very high | 93.1 | Very high | 8 Ų | 8 | 25 Ų | 25 | 5% | 0.052 | 12% | 0.12 | C | C | . | . | trans | -83.2 | 1.9 | -167 | 32.3 | -35.8 | 0 | 0 | 0 | 114.5 | S667 L669 L700 Q819 F822 L832 | S667-P702 PolarHBondContact OG-O 3.27Å; L669-P702 HydrophobicContact CD2-CB 3.46Å; L669-P702 VanDerWaalsContact CD2-CB 3.46Å; L700-P702 WeakPolarHBondContact O-CD 3.28Å; P702-Q819 HydrophobicContact CB-CG 4.47Å; P702-F822 HydrophobicContact CG-CB 4.07Å; P702-F822 HydrophobicContact CG-CD1 3.46Å; P702-F822 VanDerWaalsContact CG-CD1 3.46Å; P702-F822 HydrophobicContact CG-CD2 3.74Å; P702-F822 HydrophobicContact CG-CE1 3.71Å; P702-F822 HydrophobicContact CG-CE2 3.99Å; P702-F822 HydrophobicContact CG-CG 3.47Å; P702-F822 VanDerWaalsContact CG-CG 3.47Å; P702-F822 HydrophobicContact CG-CZ 3.97Å; P702-L832 HydrophobicContact CB-CD1 4.05Å; P702-L832 HydrophobicContact CB-CD2 4.25Å; P702-L832 HydrophobicContact CB-CG 4.06Å; P702-L832 HydrophobicContact CG-CD2 4.21Å; P702-L832 HydrophobicContact CG-CG 4.18Å | ||
| 703 | H | 91.2 | Very high | 93.1 | Very high | 36 Ų | 36 | 28.6 Ų | 28.6 | 17% | 0.167 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -138.3 | 155.4 | -173.8 | 63.2 | -89.6 | 0 | 0 | 0 | 109.9 | V701 I705 E710 R712 F822 | V701-H703 VanDerWaalsContact C-N 3.25Å; V701-H703 VanDerWaalsContact CG1-CE1 3.47Å; V701-H703 WeakPolarHBondContact CG1-CE1 3.5Å; V701-H703 WeakPolarHBondContact CG1-O 3.39Å; V701-H703 PolarHBondContact O-N 2.82Å; H703-I705 PolarHBondContact O-N 2.54Å; H703-E710 IonicContact NE2-OE2 3.65Å; H703-R712 PolarHBondContact NE2-NH2 3.2Å; H703-R712 VanDerWaalsContact NE2-NH2 3.16Å; H703-F822 AromaticContact CE1-CE1 3.76Å; H703-F822 AromaticContact CE1-CZ 3.88Å; H703-F822 AromaticContact ND1-CE1 3.52Å; H703-F822 AromaticContact ND1-CZ 3.98Å |
| 704 | Y | 90 | Very high | 93.1 | Very high | 63 Ų | 63 | 28.6 Ų | 28.6 | 25% | 0.247 | 14% | 0.135 | C | C | . | . | trans | -57.4 | 122.7 | 176 | 177.6 | -137.6 | 0 | 0 | 0 | 112.2 | D664 N665 E670 D706 | D664-Y704 WeakPolarHBondContact O-CE2 3.35Å; D664-Y704 PolarHBondContact O-OH 2.93Å; N665-Y704 WeakPolarHBondContact O-CD2 3.21Å; N665-Y704 WeakPolarHBondContact O-CE2 3.39Å; E670-Y704 PolarHBondContact OE1-N 3.27Å; E670-Y704 PolarHBondContact OE2-N 3.38Å; Y704-D706 VanDerWaalsContact C-N 3.3Å; Y704-D706 HydrophobicContact CD1-CB 4.07Å; Y704-D706 HydrophobicContact CE1-CB 3.96Å; Y704-D706 PolarHBondContact O-N 3.23Å | ||
| 705 | I | 92.5 | Very high | 93.1 | Very high | 14 Ų | 14 | 28.5 Ų | 28.5 | 7% | 0.072 | 13% | 0.134 | C | C | . | . | trans | -79.3 | 85.3 | 170.9 | -60.5 | 178.9 | 0 | 0 | 0 | 107.3 | L158 R695 V701 H703 V707 E710 I829 | L158-I705 HydrophobicContact CD1-CG2 3.77Å; R695-I705 WeakPolarHBondContact O-CD1 3.41Å; V701-I705 HydrophobicContact CB-CD1 4.27Å; V701-I705 HydrophobicContact CG1-CD1 4.13Å; V701-I705 HydrophobicContact CG1-CG1 3.94Å; V701-I705 HydrophobicContact CG2-CD1 4.24Å; H703-I705 PolarHBondContact O-N 2.54Å; I705-V707 PolarHBondContact O-N 3.39Å; I705-E710 HydrophobicContact CG2-CB 4.28Å; I705-E710 HydrophobicContact CG2-CG 4.02Å; I705-I829 HydrophobicContact CD1-CD1 4.5Å; I705-I829 HydrophobicContact CD1-CG2 4.05Å; I705-I829 HydrophobicContact CG2-CD1 4.13Å | ||
| 706 | D | 89.7 | Confident | 93.1 | Very high | 37 Ų | 37 | 32.2 Ų | 32.2 | 20% | 0.198 | 15% | 0.148 | C | C | . | . | trans | -60.5 | 119.6 | -173.6 | -171.6 | -49.6 | 0 | 0 | 0 | 112 | Y704 V708 K709 E710 | Y704-D706 VanDerWaalsContact C-N 3.3Å; Y704-D706 HydrophobicContact CD1-CB 4.07Å; Y704-D706 HydrophobicContact CE1-CB 3.96Å; Y704-D706 PolarHBondContact O-N 3.23Å; D706-V708 PolarHBondContact O-N 3.13Å; D706-V708 WeakPolarHBondContact OD1-CA 3.33Å; D706-V708 WeakPolarHBondContact OD1-CB 3.09Å; D706-V708 PolarHBondContact OD1-N 3Å; D706-K709 HydrophobicContact CB-CB 4.07Å; D706-K709 PolarHBondContact O-N 2.94Å; D706-K709 PolarHBondContact OD1-N 3.15Å; D706-E710 VanDerWaalsContact O-CB 3.27Å; D706-E710 WeakPolarHBondContact O-CB 3.18Å; D706-E710 PolarHBondContact O-N 2.98Å | ||
| 707 | V | 88.3 | Confident | 93.1 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 12% | 0.115 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.8 | -179.4 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | L158 K160 A197 D664 I705 | L158-V707 HydrophobicContact CD2-CG1 4.1Å; K160-V707 VanDerWaalsContact CE-O 3.32Å; K160-V707 WeakPolarHBondContact CE-O 3.18Å; K160-V707 PolarHBondContact NZ-O 2.88Å; A197-V707 PolarHBondContact N-O 2.62Å; D664-V707 HydrophobicContact CB-CG1 4.39Å; I705-V707 PolarHBondContact O-N 3.39Å |
| 708 | V | 87.3 | Confident | 92.9 | Very high | 50 Ų | 50 | 37.3 Ų | 37.3 | 30% | 0.303 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -54.9 | 177.2 | -170.4 | 0 | 0 | 0 | 0 | 110.9 | K160 S194 D706 | K160-V708 PolarHBondContact NZ-O 3.01Å; S194-V708 WeakPolarHBondContact O-CG1 3.31Å; D706-V708 PolarHBondContact O-N 3.13Å; D706-V708 WeakPolarHBondContact OD1-CA 3.33Å; D706-V708 WeakPolarHBondContact OD1-CB 3.09Å; D706-V708 PolarHBondContact OD1-N 3Å |
| 709 | K | 88.3 | Confident | 92.6 | Very high | 167 Ų | 167 | 43.7 Ų | 43.7 | 73% | 0.726 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -14.9 | -165.5 | -61.3 | 178.1 | -176.8 | 170.9 | 0 | 115.5 | D706 E711 | D706-K709 HydrophobicContact CB-CB 4.07Å; D706-K709 PolarHBondContact O-N 2.94Å; D706-K709 PolarHBondContact OD1-N 3.15Å; K709-E711 PolarHBondContact O-N 2.57Å |
| 710 | E | 93.2 | Very high | 92.6 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | trans | -81.4 | 109.3 | -178.2 | -172 | 58.3 | -98.2 | 0 | 0 | 111.5 | K160 N161 H703 I705 D706 R712 K824 I829 | K160-E710 WeakPolarHBondContact CE-O 3.36Å; N161-E710 PolarHBondContact ND2-O 3.31Å; H703-E710 IonicContact NE2-OE2 3.65Å; I705-E710 HydrophobicContact CG2-CB 4.28Å; I705-E710 HydrophobicContact CG2-CG 4.02Å; D706-E710 VanDerWaalsContact O-CB 3.27Å; D706-E710 WeakPolarHBondContact O-CB 3.18Å; D706-E710 PolarHBondContact O-N 2.98Å; E710-R712 VanDerWaalsContact OE1-CB 3.24Å; E710-R712 WeakPolarHBondContact OE1-CB 3.18Å; E710-R712 WeakPolarHBondContact OE1-CG 3.26Å; E710-R712 IonicContact OE1-CZ 2.73Å; E710-R712 PolarHBondContact OE1-N 2.94Å; E710-R712 VanDerWaalsContact OE1-N 3.12Å; E710-R712 IonicContact OE1-NE 3.19Å; E710-R712 PolarHBondContact OE1-NE 3.43Å; E710-R712 IonicContact OE1-NH2 3.74Å; E710-R712 IonicContact OE2-CZ 2.66Å; E710-R712 IonicContact OE2-NE 2.87Å; E710-R712 PolarHBondContact OE2-NE 3.3Å; E710-R712 IonicContact OE2-NH2 3.73Å; E710-R712 PolarHBondContact OE2-NH2 2.97Å; E710-K824 IonicContact OE2-NZ 2.68Å; E710-K824 PolarHBondContact OE2-NZ 2.87Å; E710-I829 HydrophobicContact CG-CD1 3.84Å; E710-I829 HydrophobicContact CG-CG1 4.25Å | ||
| 711 | E | 91.7 | Very high | 92.5 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | trans | -103.7 | -8.5 | -179.1 | -72.1 | -67.3 | 146.2 | 0 | 0 | 113.2 | R195 K709 | R195-E711 IonicContact CZ-OE1 3.26Å; R195-E711 IonicContact CZ-OE2 2.73Å; R195-E711 IonicContact NE-OE1 3.96Å; R195-E711 PolarHBondContact NE-OE1 3.21Å; R195-E711 IonicContact NE-OE2 3.91Å; R195-E711 IonicContact NH1-OE1 3.5Å; R195-E711 IonicContact NH1-OE2 3.78Å; R195-E711 PolarHBondContact NH1-OE2 3.2Å; R195-E711 IonicContact NH2-OE1 3.78Å; R195-E711 IonicContact NH2-OE2 2.8Å; R195-E711 PolarHBondContact NH2-OE2 2.7Å; K709-E711 PolarHBondContact O-N 2.57Å | ||
| 712 | R | 95.4 | Very high | 92.5 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -73.4 | 146.6 | -179.8 | -61 | 177 | -63.5 | 143.3 | 12.9 | 110.8 | N161 H703 E710 K824 N825 Y828 I829 | N161-R712 PolarHBondContact ND2-O 2.94Å; H703-R712 PolarHBondContact NE2-NH2 3.2Å; H703-R712 VanDerWaalsContact NE2-NH2 3.16Å; E710-R712 VanDerWaalsContact OE1-CB 3.24Å; E710-R712 WeakPolarHBondContact OE1-CB 3.18Å; E710-R712 WeakPolarHBondContact OE1-CG 3.26Å; E710-R712 IonicContact OE1-CZ 2.73Å; E710-R712 PolarHBondContact OE1-N 2.94Å; E710-R712 VanDerWaalsContact OE1-N 3.12Å; E710-R712 IonicContact OE1-NE 3.19Å; E710-R712 PolarHBondContact OE1-NE 3.43Å; E710-R712 IonicContact OE1-NH2 3.74Å; E710-R712 IonicContact OE2-CZ 2.66Å; E710-R712 IonicContact OE2-NE 2.87Å; E710-R712 PolarHBondContact OE2-NE 3.3Å; E710-R712 IonicContact OE2-NH2 3.73Å; E710-R712 PolarHBondContact OE2-NH2 2.97Å; R712-K824 VanDerWaalsContact NE-CE 3.26Å; R712-N825 WeakPolarHBondContact CD-O 3.1Å; R712-N825 PolarHBondContact NH1-O 2.74Å; R712-Y828 PolarHBondContact NH1-O 2.77Å; R712-Y828 VanDerWaalsContact NH1-O 3.13Å; R712-I829 HydrophobicContact CB-CG1 3.94Å |
| 713 | F | 96.1 | Very high | 92.3 | Very high | 80 Ų | 80 | 51.2 Ų | 51.2 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 150.7 | 180 | -56.3 | -45 | 0 | 0 | 0 | 112.8 | N161 G163 R171 S715 Q827 Y828 I829 | N161-F713 CarbonylContact O-C 3.58Å; N161-F713 WeakPolarHBondContact O-CA 3.48Å; G163-F713 VanDerWaalsContact CA-CD1 3.49Å; R171-F713 VanDerWaalsContact CZ-CB 3.45Å; R171-F713 VanDerWaalsContact NH1-CB 3.33Å; F713-S715 PolarHBondContact O-N 3.31Å; F713-Q827 PolarHBondContact N-O 3.31Å; F713-Y828 CarbonylContact O-C 3.26Å; F713-Y828 WeakPolarHBondContact O-CA 3.33Å; F713-Y828 WeakPolarHBondContact O-CB 3.21Å; F713-I829 PolarHBondContact O-N 3.29Å |
| 714 | Y | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 132.1 | 173 | -73.3 | -59.2 | 0 | 0 | 0 | 111.7 | Y157 L158 N161 L162 R171 R695 R716 I829 | Y157-Y714 AromaticContact CD1-CD2 3.77Å; Y157-Y714 HydrophobicContact CD1-CD2 3.77Å; Y157-Y714 AromaticContact CD1-CE2 3.77Å; Y157-Y714 HydrophobicContact CD1-CE2 3.77Å; Y157-Y714 HydrophobicContact CD1-CG 4.48Å; Y157-Y714 HydrophobicContact CE1-CD2 4.42Å; Y157-Y714 HydrophobicContact CG-CE2 4.37Å; L158-Y714 HydrophobicContact CB-CE2 4.34Å; L158-Y714 PolarHBondContact N-OH 3.31Å; L158-Y714 VanDerWaalsContact N-OH 3.08Å; L158-Y714 WeakPolarHBondContact O-CE2 3.36Å; N161-Y714 HydrophobicContact CB-CD2 3.78Å; N161-Y714 HydrophobicContact CB-CE2 3.65Å; N161-Y714 HydrophobicContact CB-CG 4.39Å; N161-Y714 PolarHBondContact O-N 3.26Å; L162-Y714 HydrophobicContact CD2-CD2 4.26Å; R171-Y714 WeakPolarHBondContact CD-O 3.47Å; R171-Y714 WeakPolarHBondContact CG-O 3.2Å; R171-Y714 PolarHBondContact NH1-O 2.82Å; R695-Y714 HydrophobicContact CB-CD1 4.18Å; R695-Y714 HydrophobicContact CB-CE1 3.67Å; R695-Y714 HydrophobicContact CB-CE2 4.33Å; R695-Y714 HydrophobicContact CG-CD1 3.37Å; R695-Y714 HydrophobicContact CG-CD2 4.24Å; R695-Y714 HydrophobicContact CG-CE1 3.39Å; R695-Y714 HydrophobicContact CG-CE2 4.24Å; R695-Y714 HydrophobicContact CG-CG 3.81Å; Y714-R716 PolarHBondContact O-N 3.41Å; Y714-I829 HydrophobicContact CD1-CB 4.49Å; Y714-I829 HydrophobicContact CD1-CD1 3.8Å; Y714-I829 HydrophobicContact CE1-CD1 3.8Å |
| 715 | S | 95.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -46.6 | 136.7 | -179.3 | -66.1 | 0 | 0 | 0 | 0 | 115 | F713 V721 Y828 I829 | F713-S715 PolarHBondContact O-N 3.31Å; S715-V721 VanDerWaalsContact O-CG1 3.29Å; S715-V721 WeakPolarHBondContact O-CG1 3.49Å; S715-Y828 WeakPolarHBondContact OG-CD2 3.13Å; S715-I829 PolarHBondContact OG-O 2.88Å |
| 716 | R | 95.2 | Very high | 92.4 | Very high | 80 Ų | 80 | 53.2 Ų | 53.2 | 30% | 0.302 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -81 | 139.1 | 175.6 | -60 | -176.1 | -59.3 | 178.2 | 13.2 | 112.3 | E167 S170 R171 Y714 Q720 V721 | E167-R716 IonicContact OE1-CZ 3.77Å; E167-R716 IonicContact OE1-NH1 2.79Å; E167-R716 PolarHBondContact OE1-NH1 3.13Å; S170-R716 WeakPolarHBondContact OG-CG 3.26Å; R171-R716 HydrophobicContact CG-CG 3.83Å; Y714-R716 PolarHBondContact O-N 3.41Å; R716-Q720 WeakPolarHBondContact O-CA 3.42Å; R716-Q720 WeakPolarHBondContact O-CB 3.37Å; R716-Q720 PolarHBondContact O-N 3.27Å; R716-V721 PolarHBondContact O-N 3.42Å |
| 717 | W | 93.9 | Very high | 92.6 | Very high | 46 Ų | 46 | 51.4 Ų | 51.4 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 143.2 | 173.3 | -175.3 | -81.7 | 0 | 0 | 0 | 112.2 | S170 H173 T174 N177 V721 N722 Y723 I728 | S170-W717 WeakPolarHBondContact O-CB 3.2Å; S170-W717 PolarHBondContact O-N 3.2Å; H173-W717 HydrophobicContact CB-CB 3.67Å; H173-W717 HydrophobicContact CB-CD2 4.44Å; H173-W717 HydrophobicContact CB-CG 3.77Å; T174-W717 HydrophobicContact CG2-CE3 3.71Å; T174-W717 HydrophobicContact CG2-CZ3 4.15Å; N177-W717 HydrophobicContact CB-CH2 3.67Å; N177-W717 HydrophobicContact CB-CZ2 3.94Å; N177-W717 HydrophobicContact CB-CZ3 4.13Å; N177-W717 VanDerWaalsContact CG-CZ2 3.47Å; W717-V721 WeakPolarHBondContact CA-O 3.48Å; W717-V721 HydrophobicContact CB-CG1 4.42Å; W717-V721 HydrophobicContact CE3-CG1 4.39Å; W717-V721 VanDerWaalsContact CE3-O 3.32Å; W717-N722 VanDerWaalsContact CZ3-C 3.41Å; W717-N722 VanDerWaalsContact CZ3-CA 3.43Å; W717-Y723 HydrophobicContact CH2-CD2 4.26Å; W717-Y723 VanDerWaalsContact CH2-N 3.27Å; W717-I728 HydrophobicContact CZ3-CG2 4.44Å |
| 718 | P | 91.9 | Very high | 92.9 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 43% | 0.429 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -89.3 | -6.3 | -8.6 | 34.6 | -32.9 | 0 | 0 | 0 | 113.5 | V721 N722 | P718-V721 CarbonylContact C-O 3.4Å; P718-V721 VanDerWaalsContact C-O 3.26Å; P718-V721 VanDerWaalsContact CA-O 3.22Å; P718-V721 WeakPolarHBondContact CA-O 2.93Å; P718-V721 CarbonylContact O-C 3.55Å; P718-V721 VanDerWaalsContact O-O 3.1Å; P718-N722 HydrophobicContact CB-CB 4.47Å |
| 719 | D | 90.1 | Very high | 93.3 | Very high | 134 Ų | 134 | 51.6 Ų | 51.6 | 72% | 0.717 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -37 | -164.1 | -60.4 | -21.7 | 0 | 0 | 0 | 114.1 | ||
| 720 | Q | 94.2 | Very high | 93.6 | Very high | 45 Ų | 45 | 43.8 Ų | 43.8 | 21% | 0.21 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -30.9 | -178.4 | -61.7 | 170.2 | -14.9 | 0 | 0 | 111.6 | R716 Y828 | R716-Q720 WeakPolarHBondContact O-CA 3.42Å; R716-Q720 WeakPolarHBondContact O-CB 3.37Å; R716-Q720 PolarHBondContact O-N 3.27Å; Q720-Y828 HydrophobicContact CB-CE2 4.33Å; Q720-Y828 HydrophobicContact CG-CE1 4.32Å |
| 721 | V | 93.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -135.2 | 135.2 | 173.4 | 64.7 | 0 | 0 | 0 | 0 | 110 | T174 E699 S715 R716 W717 P718 I725 I728 | T174-V721 HydrophobicContact CG2-CG1 3.93Å; T174-V721 HydrophobicContact CG2-CG2 4.33Å; E699-V721 HydrophobicContact CG-CG2 4.12Å; S715-V721 VanDerWaalsContact O-CG1 3.29Å; S715-V721 WeakPolarHBondContact O-CG1 3.49Å; R716-V721 PolarHBondContact O-N 3.42Å; W717-V721 WeakPolarHBondContact CA-O 3.48Å; W717-V721 HydrophobicContact CB-CG1 4.42Å; W717-V721 HydrophobicContact CE3-CG1 4.39Å; W717-V721 VanDerWaalsContact CE3-O 3.32Å; P718-V721 CarbonylContact C-O 3.4Å; P718-V721 VanDerWaalsContact C-O 3.26Å; P718-V721 VanDerWaalsContact CA-O 3.22Å; P718-V721 WeakPolarHBondContact CA-O 2.93Å; P718-V721 CarbonylContact O-C 3.55Å; P718-V721 VanDerWaalsContact O-O 3.1Å; V721-I725 HydrophobicContact CG2-CB 4.39Å; V721-I725 HydrophobicContact CG2-CD1 4.47Å; V721-I725 HydrophobicContact CG2-CG2 4.41Å; V721-I728 HydrophobicContact CG2-CD1 3.28Å |
| 722 | N | 93.6 | Very high | 94 | Very high | 52 Ų | 52 | 39.9 Ų | 39.9 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | trans | -143 | -178.2 | 176.3 | 61.9 | 62.1 | 0 | 0 | 0 | 109.7 | W717 P718 N724 I725 | W717-N722 VanDerWaalsContact CZ3-C 3.41Å; W717-N722 VanDerWaalsContact CZ3-CA 3.43Å; P718-N722 HydrophobicContact CB-CB 4.47Å; N722-N724 PolarHBondContact O-N 3.19Å; N722-N724 VanDerWaalsContact O-N 3.1Å; N722-N724 WeakPolarHBondContact OD1-CB 3.22Å; N722-N724 PolarHBondContact OD1-N 3.15Å; N722-I725 PolarHBondContact O-N 2.99Å | ||
| 723 | Y | 90.1 | Very high | 93.9 | Very high | 74 Ų | 74 | 39 Ų | 39 | 29% | 0.29 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.3 | -173.7 | -155.2 | -122 | 0 | 0 | 0 | 114.3 | W717 I728 K729 S732 | W717-Y723 HydrophobicContact CH2-CD2 4.26Å; W717-Y723 VanDerWaalsContact CH2-N 3.27Å; Y723-I728 HydrophobicContact CD2-CG2 4.18Å; Y723-K729 HydrophobicContact CD1-CB 3.58Å; Y723-K729 HydrophobicContact CD1-CD 3.58Å; Y723-K729 HydrophobicContact CD1-CG 3.7Å; Y723-K729 HydrophobicContact CD2-CB 4.19Å; Y723-K729 HydrophobicContact CE1-CB 3.46Å; Y723-K729 VanDerWaalsContact CE1-CB 3.46Å; Y723-K729 HydrophobicContact CE1-CD 3.33Å; Y723-K729 HydrophobicContact CE1-CG 3.16Å; Y723-K729 HydrophobicContact CE2-CB 4.05Å; Y723-K729 HydrophobicContact CE2-CG 4.43Å; Y723-K729 HydrophobicContact CG-CB 3.95Å; Y723-K729 WeakPolarHBondContact O-CB 3.38Å; Y723-K729 PolarHBondContact O-N 3.42Å; Y723-S732 WeakPolarHBondContact CE2-OG 3.36Å; Y723-S732 PolarHBondContact OH-OG 3.15Å |
| 724 | N | 89.7 | Confident | 94 | Very high | 130 Ų | 130 | 35.2 Ų | 35.2 | 70% | 0.695 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2 | -176.3 | -60.4 | -38.3 | 0 | 0 | 0 | 113.7 | N722 | N722-N724 PolarHBondContact O-N 3.19Å; N722-N724 VanDerWaalsContact O-N 3.1Å; N722-N724 WeakPolarHBondContact OD1-CB 3.22Å; N722-N724 PolarHBondContact OD1-N 3.15Å |
| 725 | I | 91.6 | Very high | 94 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 9% | 0.092 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -94 | 133.3 | -179.1 | -70.1 | 168.8 | 0 | 0 | 0 | 110.1 | E699 V721 N722 I728 M833 | E699-I725 HydrophobicContact CB-CG2 4.4Å; E699-I725 HydrophobicContact CG-CG2 4.26Å; V721-I725 HydrophobicContact CG2-CB 4.39Å; V721-I725 HydrophobicContact CG2-CD1 4.47Å; V721-I725 HydrophobicContact CG2-CG2 4.41Å; N722-I725 PolarHBondContact O-N 2.99Å; I725-I728 HydrophobicContact CB-CD1 4.46Å; I725-I728 WeakPolarHBondContact O-CB 3.41Å; I725-I728 WeakPolarHBondContact O-CG1 3.25Å; I725-I728 PolarHBondContact O-N 2.98Å; I725-M833 HydrophobicContact CD1-CE 3.84Å; I725-M833 HydrophobicContact CG1-CE 3.91Å; I725-M833 HydrophobicContact CG1-SD 3.95Å; I725-M833 HydrophobicContact CG2-CE 4.07Å; I725-M833 HydrophobicContact CG2-SD 4.28Å |
| 726 | G | 93.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 6% | 0.062 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | -139.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | D698 Y837 | D698-G726 CarbonylContact O-C 3.49Å; D698-G726 WeakPolarHBondContact O-CA 3.46Å; G726-Y837 WeakPolarHBondContact O-CD2 3.18Å; G726-Y837 WeakPolarHBondContact O-CE2 3.31Å |
| 727 | I | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 13 | 174.8 | 62.2 | 163.2 | 0 | 0 | 0 | 113.1 | L678 Y697 D698 L700 K729 P730 K731 Y837 | L678-I727 HydrophobicContact CB-CG2 4.33Å; Y697-I727 HydrophobicContact CD1-CD1 3.87Å; Y697-I727 HydrophobicContact CE1-CD1 3.6Å; D698-I727 HydrophobicContact CB-CG1 4.46Å; D698-I727 WeakPolarHBondContact O-CG1 3.3Å; D698-I727 PolarHBondContact O-N 3.19Å; L700-I727 HydrophobicContact CD2-CG1 4.35Å; L700-I727 HydrophobicContact CD2-CG2 3.98Å; I727-K729 VanDerWaalsContact C-N 3.3Å; I727-K729 PolarHBondContact O-N 3.27Å; I727-P730 HydrophobicContact CB-CB 4.22Å; I727-P730 HydrophobicContact CB-CG 4.33Å; I727-P730 VanDerWaalsContact O-CD 3.23Å; I727-P730 WeakPolarHBondContact O-CD 3.39Å; I727-K731 HydrophobicContact CD1-CB 4.4Å; I727-K731 HydrophobicContact CG1-CB 4.45Å; I727-K731 WeakPolarHBondContact O-CB 3.21Å; I727-K731 PolarHBondContact O-N 3.49Å; I727-Y837 HydrophobicContact CG2-CE1 3.88Å; I727-Y837 HydrophobicContact CG2-CE2 3.78Å; I727-Y837 WeakPolarHBondContact CG2-OH 3.36Å |
| 728 | I | 95.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -51.6 | -48.8 | -176 | -68.9 | 171.7 | 0 | 0 | 0 | 112 | D698 E699 W717 V721 Y723 I725 S732 | D698-I728 HydrophobicContact CB-CG1 3.73Å; D698-I728 PolarHBondContact O-N 3.07Å; E699-I728 HydrophobicContact CG-CD1 4.14Å; W717-I728 HydrophobicContact CZ3-CG2 4.44Å; V721-I728 HydrophobicContact CG2-CD1 3.28Å; Y723-I728 HydrophobicContact CD2-CG2 4.18Å; I725-I728 HydrophobicContact CB-CD1 4.46Å; I725-I728 WeakPolarHBondContact O-CB 3.41Å; I725-I728 WeakPolarHBondContact O-CG1 3.25Å; I725-I728 PolarHBondContact O-N 2.98Å; I728-S732 WeakPolarHBondContact O-CB 3.46Å; I728-S732 PolarHBondContact O-N 3.01Å |
| 729 | K | 94.7 | Very high | 93.9 | Very high | 72 Ų | 72 | 28.9 Ų | 28.9 | 31% | 0.313 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.4 | -57.2 | 175.8 | 169.8 | 172.4 | -168.1 | -178.5 | 0 | 112.3 | Y723 I727 K731 S732 I733 I839 | Y723-K729 HydrophobicContact CD1-CB 3.58Å; Y723-K729 HydrophobicContact CD1-CD 3.58Å; Y723-K729 HydrophobicContact CD1-CG 3.7Å; Y723-K729 HydrophobicContact CD2-CB 4.19Å; Y723-K729 HydrophobicContact CE1-CB 3.46Å; Y723-K729 VanDerWaalsContact CE1-CB 3.46Å; Y723-K729 HydrophobicContact CE1-CD 3.33Å; Y723-K729 HydrophobicContact CE1-CG 3.16Å; Y723-K729 HydrophobicContact CE2-CB 4.05Å; Y723-K729 HydrophobicContact CE2-CG 4.43Å; Y723-K729 HydrophobicContact CG-CB 3.95Å; Y723-K729 WeakPolarHBondContact O-CB 3.38Å; Y723-K729 PolarHBondContact O-N 3.42Å; I727-K729 VanDerWaalsContact C-N 3.3Å; I727-K729 PolarHBondContact O-N 3.27Å; K729-K731 VanDerWaalsContact C-N 3.3Å; K729-K731 PolarHBondContact O-N 2.93Å; K729-S732 PolarHBondContact O-N 3.44Å; K729-S732 PolarHBondContact O-OG 3.13Å; K729-I733 PolarHBondContact O-N 2.94Å; K729-I839 HydrophobicContact CB-CD1 4.43Å; K729-I839 HydrophobicContact CD-CD1 3.68Å; K729-I839 HydrophobicContact CG-CD1 3.53Å |
| 730 | P | 95.9 | Very high | 94 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.013 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -47.9 | -47.2 | 171.9 | -30.8 | 33.2 | 0 | 0 | 0 | 114.7 | L678 I727 S732 I733 L734 I808 Y837 I839 | L678-P730 HydrophobicContact CD1-CB 3.72Å; I727-P730 HydrophobicContact CB-CB 4.22Å; I727-P730 HydrophobicContact CB-CG 4.33Å; I727-P730 VanDerWaalsContact O-CD 3.23Å; I727-P730 WeakPolarHBondContact O-CD 3.39Å; P730-S732 PolarHBondContact O-N 3.43Å; P730-I733 WeakPolarHBondContact O-CB 3.31Å; P730-I733 PolarHBondContact O-N 3.41Å; P730-L734 WeakPolarHBondContact O-CG 3.3Å; P730-L734 PolarHBondContact O-N 3.26Å; P730-L734 VanDerWaalsContact O-N 3.14Å; P730-I808 HydrophobicContact CB-CD1 3.92Å; P730-I808 HydrophobicContact CB-CG2 4.22Å; P730-I808 HydrophobicContact CG-CG2 4.12Å; P730-Y837 HydrophobicContact CG-CD1 4.1Å; P730-Y837 HydrophobicContact CG-CD2 4.03Å; P730-Y837 HydrophobicContact CG-CG 3.75Å; P730-I839 HydrophobicContact CG-CD1 3.9Å |
| 731 | K | 95.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 2% | 0.022 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | -178.6 | -174.4 | 67.4 | 165.9 | -175.9 | 0 | 111.8 | Y180 D660 S681 D698 I727 K729 I733 L734 N735 | Y180-K731 WeakPolarHBondContact OH-CE 3.47Å; D660-K731 IonicContact OD2-NZ 2.76Å; D660-K731 PolarHBondContact OD2-NZ 3.12Å; S681-K731 PolarHBondContact OG-NZ 2.87Å; D698-K731 WeakPolarHBondContact OD1-CG 3.48Å; I727-K731 HydrophobicContact CD1-CB 4.4Å; I727-K731 HydrophobicContact CG1-CB 4.45Å; I727-K731 WeakPolarHBondContact O-CB 3.21Å; I727-K731 PolarHBondContact O-N 3.49Å; K729-K731 VanDerWaalsContact C-N 3.3Å; K729-K731 PolarHBondContact O-N 2.93Å; K731-I733 PolarHBondContact O-N 2.97Å; K731-L734 PolarHBondContact O-N 3.34Å; K731-L734 VanDerWaalsContact O-N 3.15Å; K731-N735 WeakPolarHBondContact O-CB 3.45Å; K731-N735 VanDerWaalsContact O-CG 3.31Å; K731-N735 PolarHBondContact O-N 3.02Å |
| 732 | S | 95.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 3% | 0.028 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59 | -35.3 | 176.4 | 75.5 | 0 | 0 | 0 | 0 | 113 | N177 G178 S179 Y723 I728 K729 P730 E736 | N177-S732 VanDerWaalsContact O-CB 3.31Å; N177-S732 WeakPolarHBondContact O-CB 3.47Å; G178-S732 WeakPolarHBondContact O-CA 3.39Å; S179-S732 WeakPolarHBondContact CB-O 3.32Å; S179-S732 PolarHBondContact OG-O 3.45Å; S179-S732 VanDerWaalsContact OG-O 3.09Å; Y723-S732 WeakPolarHBondContact CE2-OG 3.36Å; Y723-S732 PolarHBondContact OH-OG 3.15Å; I728-S732 WeakPolarHBondContact O-CB 3.46Å; I728-S732 PolarHBondContact O-N 3.01Å; K729-S732 PolarHBondContact O-N 3.44Å; K729-S732 PolarHBondContact O-OG 3.13Å; P730-S732 PolarHBondContact O-N 3.43Å; S732-E736 WeakPolarHBondContact O-CB 3.48Å; S732-E736 PolarHBondContact O-N 2.74Å |
| 733 | I | 95.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.7 | -44.4 | 177.1 | -61.3 | 168.4 | 0 | 0 | 0 | 109.8 | K729 P730 K731 E736 L737 C806 I839 Q841 | K729-I733 PolarHBondContact O-N 2.94Å; P730-I733 WeakPolarHBondContact O-CB 3.31Å; P730-I733 PolarHBondContact O-N 3.41Å; K731-I733 PolarHBondContact O-N 2.97Å; I733-E736 PolarHBondContact O-N 3.43Å; I733-L737 VanDerWaalsContact O-CB 3.25Å; I733-L737 WeakPolarHBondContact O-CB 3.38Å; I733-L737 PolarHBondContact O-N 3.49Å; I733-C806 HydrophobicContact CG2-CB 3.96Å; I733-I839 HydrophobicContact CD1-CD1 4.46Å; I733-I839 HydrophobicContact CD1-CG2 3.7Å; I733-Q841 HydrophobicContact CG2-CG 4.49Å |
| 734 | L | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.3 | -38.6 | 178.5 | -65.4 | 174 | 0 | 0 | 0 | 112.5 | L678 A682 S685 P730 K731 L737 H738 | L678-L734 HydrophobicContact CD1-CD1 3.81Å; A682-L734 HydrophobicContact CB-CD1 3.99Å; A682-L734 HydrophobicContact CB-CD2 4.06Å; S685-L734 WeakPolarHBondContact CB-O 3.17Å; P730-L734 WeakPolarHBondContact O-CG 3.3Å; P730-L734 PolarHBondContact O-N 3.26Å; P730-L734 VanDerWaalsContact O-N 3.14Å; K731-L734 PolarHBondContact O-N 3.34Å; K731-L734 VanDerWaalsContact O-N 3.15Å; L734-L737 WeakPolarHBondContact O-CB 3.44Å; L734-L737 PolarHBondContact O-N 3.32Å; L734-H738 WeakPolarHBondContact O-CB 3.29Å; L734-H738 PolarHBondContact O-N 3.49Å |
| 735 | N | 96.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.011 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.4 | -41.1 | 176.6 | -76.8 | -5.7 | 0 | 0 | 0 | 112.1 | V153 G178 Y180 K731 H738 S739 | V153-N735 HydrophobicContact CG1-CB 3.81Å; V153-N735 VanDerWaalsContact CG1-CG 3.48Å; G178-N735 WeakPolarHBondContact O-CB 3.41Å; G178-N735 PolarHBondContact O-ND2 3.5Å; Y180-N735 VanDerWaalsContact CE1-ND2 3.26Å; Y180-N735 WeakPolarHBondContact CE1-ND2 3.2Å; Y180-N735 WeakPolarHBondContact CE2-ND2 3.25Å; K731-N735 WeakPolarHBondContact O-CB 3.45Å; K731-N735 VanDerWaalsContact O-CG 3.31Å; K731-N735 PolarHBondContact O-N 3.02Å; N735-H738 PolarHBondContact O-N 3.11Å; N735-S739 WeakPolarHBondContact O-CB 3.4Å; N735-S739 PolarHBondContact O-N 3.31Å; N735-S739 PolarHBondContact O-OG 2.89Å |
| 736 | E | 93.8 | Very high | 92.8 | Very high | 50 Ų | 50 | 11 Ų | 11 | 23% | 0.234 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | 171.6 | -177.4 | 177.9 | -174.1 | 0 | 0 | 110.7 | S732 I733 S739 W740 G917 | S732-E736 WeakPolarHBondContact O-CB 3.48Å; S732-E736 PolarHBondContact O-N 2.74Å; I733-E736 PolarHBondContact O-N 3.43Å; E736-S739 PolarHBondContact O-N 3.44Å; E736-W740 VanDerWaalsContact O-CB 3.28Å; E736-W740 WeakPolarHBondContact O-CB 3.3Å; E736-W740 PolarHBondContact O-N 2.94Å; E736-G917 VanDerWaalsContact OE1-CA 3.23Å; E736-G917 WeakPolarHBondContact OE1-CA 3.21Å; E736-G917 PolarHBondContact OE1-N 3.32Å |
| 737 | L | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.8 | -48.2 | 176.3 | 177 | 62 | 0 | 0 | 0 | 111.7 | F686 I733 L734 S739 W740 L741 V772 L805 V879 M916 | F686-L737 HydrophobicContact CE2-CD2 3.51Å; F686-L737 HydrophobicContact CE2-CG 4.33Å; F686-L737 HydrophobicContact CZ-CD2 4Å; I733-L737 VanDerWaalsContact O-CB 3.25Å; I733-L737 WeakPolarHBondContact O-CB 3.38Å; I733-L737 PolarHBondContact O-N 3.49Å; L734-L737 WeakPolarHBondContact O-CB 3.44Å; L734-L737 PolarHBondContact O-N 3.32Å; L737-S739 PolarHBondContact O-N 3.33Å; L737-W740 HydrophobicContact CD1-CE3 4.03Å; L737-W740 HydrophobicContact CD1-CZ3 4.26Å; L737-W740 PolarHBondContact O-N 3.09Å; L737-L741 HydrophobicContact CD1-CD1 3.86Å; L737-L741 HydrophobicContact CD1-CD2 4.44Å; L737-L741 HydrophobicContact CD1-CG 3.93Å; L737-L741 HydrophobicContact CG-CD1 3.77Å; L737-L741 HydrophobicContact CG-CG 4.28Å; L737-L741 WeakPolarHBondContact O-CB 3.11Å; L737-L741 VanDerWaalsContact O-CG 3.23Å; L737-L741 WeakPolarHBondContact O-CG 3.42Å; L737-L741 PolarHBondContact O-N 3.26Å; L737-V772 HydrophobicContact CD1-CG1 4.48Å; L737-L805 HydrophobicContact CD1-CD1 4.26Å; L737-V879 HydrophobicContact CD2-CB 4.42Å; L737-V879 HydrophobicContact CD2-CG1 3.96Å; L737-V879 HydrophobicContact CD2-CG2 4.02Å; L737-M916 HydrophobicContact CB-CE 3.69Å; L737-M916 HydrophobicContact CD1-CE 3.63Å; L737-M916 HydrophobicContact CD1-SD 3.67Å; L737-M916 HydrophobicContact CG-CE 4.16Å |
| 738 | H | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.4 | -49.9 | 176.7 | 177.7 | 84.6 | 0 | 0 | 0 | 111.9 | S150 V153 S685 A687 C689 I691 L734 N735 W740 L741 S742 | S150-H738 PolarHBondContact O-NE2 2.96Å; V153-H738 VanDerWaalsContact CG2-CD2 3.41Å; V153-H738 WeakPolarHBondContact CG2-CD2 3.4Å; S685-H738 WeakPolarHBondContact O-CB 3.4Å; S685-H738 PolarHBondContact O-ND1 3.09Å; A687-H738 PolarHBondContact O-CE1 3.25Å; A687-H738 VanDerWaalsContact O-CE1 3.25Å; C689-H738 PolarHBondContact O-CE1 3.11Å; C689-H738 PolarHBondContact O-NE2 3.35Å; I691-H738 HydrophobicContact CD1-CB 3.86Å; L734-H738 WeakPolarHBondContact O-CB 3.29Å; L734-H738 PolarHBondContact O-N 3.49Å; N735-H738 PolarHBondContact O-N 3.11Å; H738-W740 VanDerWaalsContact C-N 3.26Å; H738-W740 PolarHBondContact O-N 3.06Å; H738-L741 PolarHBondContact O-N 2.87Å; H738-S742 WeakPolarHBondContact O-CB 3.41Å; H738-S742 PolarHBondContact O-N 2.67Å |
| 739 | S | 92.4 | Very high | 92.1 | Very high | 10 Ų | 10 | 12.1 Ų | 12.1 | 7% | 0.07 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.3 | -41.7 | 177.6 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | V153 N735 E736 L737 S743 | V153-S739 WeakPolarHBondContact CG2-OG 3.2Å; N735-S739 WeakPolarHBondContact O-CB 3.4Å; N735-S739 PolarHBondContact O-N 3.31Å; N735-S739 PolarHBondContact O-OG 2.89Å; E736-S739 PolarHBondContact O-N 3.44Å; L737-S739 PolarHBondContact O-N 3.33Å; S739-S743 WeakPolarHBondContact O-CB 3.47Å; S739-S743 PolarHBondContact O-N 2.78Å; S739-S743 PolarHBondContact O-OG 2.96Å |
| 740 | W | 91.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 13.5 Ų | 13.5 | 3% | 0.034 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.7 | -48.3 | 179 | 176.4 | 82.6 | 0 | 0 | 0 | 111.6 | E736 L737 H738 S742 S743 E744 F746 V772 L805 Q914 M916 Y923 P925 | E736-W740 VanDerWaalsContact O-CB 3.28Å; E736-W740 WeakPolarHBondContact O-CB 3.3Å; E736-W740 PolarHBondContact O-N 2.94Å; L737-W740 HydrophobicContact CD1-CE3 4.03Å; L737-W740 HydrophobicContact CD1-CZ3 4.26Å; L737-W740 PolarHBondContact O-N 3.09Å; H738-W740 VanDerWaalsContact C-N 3.26Å; H738-W740 PolarHBondContact O-N 3.06Å; W740-S742 VanDerWaalsContact C-N 3.35Å; W740-S742 PolarHBondContact O-N 2.92Å; W740-S743 WeakPolarHBondContact CA-OG 3.24Å; W740-S743 CarbonylContact O-C 3.58Å; W740-S743 PolarHBondContact O-N 3.44Å; W740-S743 PolarHBondContact O-OG 2.72Å; W740-E744 HydrophobicContact CD2-CG 4.26Å; W740-E744 HydrophobicContact CG-CG 4.26Å; W740-E744 VanDerWaalsContact O-CB 3.31Å; W740-E744 WeakPolarHBondContact O-CB 3.35Å; W740-E744 WeakPolarHBondContact O-CG 3.32Å; W740-E744 PolarHBondContact O-N 3.07Å; W740-F746 AromaticContact CH2-CE2 3.88Å; W740-F746 HydrophobicContact CH2-CE2 3.88Å; W740-F746 AromaticContact CH2-CZ 3.97Å; W740-F746 HydrophobicContact CH2-CZ 3.97Å; W740-F746 HydrophobicContact CZ2-CE2 4.39Å; W740-F746 AromaticContact CZ3-CE2 3.96Å; W740-F746 HydrophobicContact CZ3-CE2 3.96Å; W740-F746 HydrophobicContact CZ3-CZ 4.24Å; W740-V772 HydrophobicContact CH2-CG2 4.33Å; W740-V772 HydrophobicContact CZ3-CG2 3.99Å; W740-L805 HydrophobicContact CZ3-CD1 4.38Å; W740-Q914 PolarHBondContact NE1-O 3.29Å; W740-M916 HydrophobicContact CB-CG 4.47Å; W740-M916 HydrophobicContact CD2-CB 3.83Å; W740-M916 HydrophobicContact CD2-CG 4.28Å; W740-M916 HydrophobicContact CD2-SD 4.34Å; W740-M916 HydrophobicContact CE3-CB 4.49Å; W740-M916 HydrophobicContact CE3-SD 4.09Å; W740-M916 HydrophobicContact CG-CB 3.83Å; W740-M916 HydrophobicContact CG-CG 4.23Å; W740-M916 HydrophobicContact CZ2-CB 4.29Å; W740-M916 HydrophobicContact CZ3-SD 4.37Å; W740-Y923 AromaticContact CH2-CD1 3.93Å; W740-Y923 HydrophobicContact CH2-CD1 3.93Å; W740-Y923 AromaticContact CH2-CE1 3.9Å; W740-Y923 HydrophobicContact CH2-CE1 3.9Å; W740-Y923 AromaticContact CZ2-CD1 3.79Å; W740-Y923 HydrophobicContact CZ2-CD1 3.79Å; W740-Y923 AromaticContact CZ2-CE1 3.99Å; W740-Y923 HydrophobicContact CZ2-CE1 3.99Å; W740-P925 HydrophobicContact CH2-CG 4.27Å; W740-P925 HydrophobicContact CZ2-CB 4.38Å; W740-P925 HydrophobicContact CZ2-CG 3.41Å; W740-P925 VanDerWaalsContact CZ2-CG 3.41Å |
| 741 | L | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.5 | -47.6 | 176.9 | -73.5 | 167.6 | 0 | 0 | 0 | 111.7 | F686 L737 H738 G745 F746 V772 | F686-L741 HydrophobicContact CD2-CD1 4.42Å; F686-L741 HydrophobicContact CE1-CD1 4.37Å; F686-L741 HydrophobicContact CE2-CD1 4.21Å; F686-L741 HydrophobicContact CZ-CD1 4.16Å; L737-L741 HydrophobicContact CD1-CD1 3.86Å; L737-L741 HydrophobicContact CD1-CD2 4.44Å; L737-L741 HydrophobicContact CD1-CG 3.93Å; L737-L741 HydrophobicContact CG-CD1 3.77Å; L737-L741 HydrophobicContact CG-CG 4.28Å; L737-L741 WeakPolarHBondContact O-CB 3.11Å; L737-L741 VanDerWaalsContact O-CG 3.23Å; L737-L741 WeakPolarHBondContact O-CG 3.42Å; L737-L741 PolarHBondContact O-N 3.26Å; H738-L741 PolarHBondContact O-N 2.87Å; L741-G745 PolarHBondContact O-N 3.29Å; L741-G745 VanDerWaalsContact O-N 3.17Å; L741-F746 HydrophobicContact CB-CB 4.17Å; L741-F746 HydrophobicContact CD2-CB 3.75Å; L741-F746 HydrophobicContact CD2-CD1 3.98Å; L741-F746 HydrophobicContact CD2-CD2 3.77Å; L741-F746 HydrophobicContact CD2-CE2 4.34Å; L741-F746 HydrophobicContact CD2-CG 3.57Å; L741-F746 WeakPolarHBondContact O-CB 3.31Å; L741-F746 PolarHBondContact O-N 2.82Å; L741-V772 HydrophobicContact CD2-CB 3.85Å; L741-V772 HydrophobicContact CD2-CG1 4.17Å; L741-V772 HydrophobicContact CD2-CG2 3.83Å |
| 742 | S | 89.4 | Confident | 91.5 | Very high | 18 Ų | 18 | 17.7 Ų | 17.7 | 13% | 0.126 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.9 | -49.5 | 176 | 177.2 | 0 | 0 | 0 | 0 | 111 | S150 G151 H738 W740 E744 G745 | S150-S742 WeakPolarHBondContact O-CB 3.27Å; S150-S742 PolarHBondContact O-OG 3.47Å; G151-S742 VanDerWaalsContact CA-OG 3.29Å; G151-S742 WeakPolarHBondContact CA-OG 3.38Å; G151-S742 PolarHBondContact N-OG 3.12Å; G151-S742 VanDerWaalsContact N-OG 3.17Å; H738-S742 WeakPolarHBondContact O-CB 3.41Å; H738-S742 PolarHBondContact O-N 2.67Å; W740-S742 VanDerWaalsContact C-N 3.35Å; W740-S742 PolarHBondContact O-N 2.92Å; S742-E744 PolarHBondContact O-N 2.8Å; S742-G745 PolarHBondContact O-N 3.22Å |
| 743 | S | 85.4 | Confident | 91.5 | Very high | 29 Ų | 29 | 20.4 Ų | 20.4 | 20% | 0.203 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57 | -54.1 | 178.6 | 75.4 | 0 | 0 | 0 | 0 | 109.2 | S739 W740 G745 R911 | S739-S743 WeakPolarHBondContact O-CB 3.47Å; S739-S743 PolarHBondContact O-N 2.78Å; S739-S743 PolarHBondContact O-OG 2.96Å; W740-S743 WeakPolarHBondContact CA-OG 3.24Å; W740-S743 CarbonylContact O-C 3.58Å; W740-S743 PolarHBondContact O-N 3.44Å; W740-S743 PolarHBondContact O-OG 2.72Å; S743-G745 PolarHBondContact O-N 2.94Å; S743-R911 PolarHBondContact O-NH1 3.42Å; S743-R911 PolarHBondContact O-NH2 3.02Å |
| 744 | E | 86.5 | Confident | 91.5 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.019 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -73.5 | 0.7 | -174.2 | -67.7 | -57 | 113.9 | 0 | 0 | 115 | W740 S742 F746 R911 S913 Q914 P925 | W740-E744 HydrophobicContact CD2-CG 4.26Å; W740-E744 HydrophobicContact CG-CG 4.26Å; W740-E744 VanDerWaalsContact O-CB 3.31Å; W740-E744 WeakPolarHBondContact O-CB 3.35Å; W740-E744 WeakPolarHBondContact O-CG 3.32Å; W740-E744 PolarHBondContact O-N 3.07Å; S742-E744 PolarHBondContact O-N 2.8Å; E744-F746 HydrophobicContact CB-CD2 3.78Å; E744-F746 HydrophobicContact CB-CE2 3.69Å; E744-R911 IonicContact OE1-CZ 2.61Å; E744-R911 IonicContact OE1-NE 3.32Å; E744-R911 IonicContact OE1-NH2 3.05Å; E744-R911 PolarHBondContact OE1-NH2 2.75Å; E744-R911 VanDerWaalsContact OE1-NH2 3.13Å; E744-R911 IonicContact OE2-NE 3.13Å; E744-S913 WeakPolarHBondContact OE2-CA 3.17Å; E744-S913 WeakPolarHBondContact OE2-CB 3.47Å; E744-S913 PolarHBondContact OE2-OG 2.91Å; E744-Q914 PolarHBondContact OE1-N 3.41Å; E744-P925 HydrophobicContact CB-CG 4.43Å; E744-P925 HydrophobicContact CG-CG 3.94Å |
| 745 | G | 84.6 | Confident | 91.4 | Very high | 16 Ų | 16 | 22.6 Ų | 22.6 | 17% | 0.165 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 21.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L741 S742 S743 S747 P766 | L741-G745 PolarHBondContact O-N 3.29Å; L741-G745 VanDerWaalsContact O-N 3.17Å; S742-G745 PolarHBondContact O-N 3.22Å; S743-G745 PolarHBondContact O-N 2.94Å; G745-S747 PolarHBondContact O-N 3.44Å; G745-S747 PolarHBondContact O-OG 3.3Å; G745-P766 WeakPolarHBondContact O-CD 3.27Å |
| 746 | F | 90.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | trans | -69.5 | 73.5 | 172.6 | -71.6 | -96.6 | 0 | 0 | 0 | 110.8 | W740 L741 E744 R763 F764 C765 E770 V772 | W740-F746 AromaticContact CH2-CE2 3.88Å; W740-F746 HydrophobicContact CH2-CE2 3.88Å; W740-F746 AromaticContact CH2-CZ 3.97Å; W740-F746 HydrophobicContact CH2-CZ 3.97Å; W740-F746 HydrophobicContact CZ2-CE2 4.39Å; W740-F746 AromaticContact CZ3-CE2 3.96Å; W740-F746 HydrophobicContact CZ3-CE2 3.96Å; W740-F746 HydrophobicContact CZ3-CZ 4.24Å; L741-F746 HydrophobicContact CB-CB 4.17Å; L741-F746 HydrophobicContact CD2-CB 3.75Å; L741-F746 HydrophobicContact CD2-CD1 3.98Å; L741-F746 HydrophobicContact CD2-CD2 3.77Å; L741-F746 HydrophobicContact CD2-CE2 4.34Å; L741-F746 HydrophobicContact CD2-CG 3.57Å; L741-F746 WeakPolarHBondContact O-CB 3.31Å; L741-F746 PolarHBondContact O-N 2.82Å; E744-F746 HydrophobicContact CB-CD2 3.78Å; E744-F746 HydrophobicContact CB-CE2 3.69Å; F746-R763 HydrophobicContact CB-CB 3.87Å; F746-R763 PolarHBondContact O-NE 3.45Å; F746-R763 PolarHBondContact O-NH2 3.12Å; F746-F764 CarbonylContact C-O 3.52Å; F746-F764 VanDerWaalsContact CA-O 3.3Å; F746-F764 WeakPolarHBondContact CA-O 3.44Å; F746-C765 HydrophobicContact CD1-CB 3.71Å; F746-C765 VanDerWaalsContact CD1-N 3.34Å; F746-C765 HydrophobicContact CD2-CB 4.16Å; F746-C765 HydrophobicContact CE1-CB 3.72Å; F746-C765 HydrophobicContact CE2-CB 4.19Å; F746-C765 HydrophobicContact CG-CB 3.94Å; F746-C765 HydrophobicContact CZ-CB 3.97Å; F746-E770 HydrophobicContact CE1-CB 4.14Å; F746-E770 HydrophobicContact CE1-CG 4.37Å; F746-E770 VanDerWaalsContact CE1-O 3.32Å; F746-E770 WeakPolarHBondContact CE1-O 3.41Å; F746-E770 HydrophobicContact CZ-CB 4.25Å; F746-E770 HydrophobicContact CZ-CG 4.41Å; F746-V772 HydrophobicContact CD1-CG2 4.09Å; F746-V772 HydrophobicContact CE1-CG2 3.6Å; F746-V772 HydrophobicContact CZ-CG2 3.98Å | ||
| 747 | S | 87.2 | Confident | 91.2 | Very high | 26 Ų | 26 | 28.2 Ų | 28.2 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | trans | -102.3 | -21.6 | -165 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | S634 G745 F764 P766 | S634-S747 PolarHBondContact OG-O 3.49Å; G745-S747 PolarHBondContact O-N 3.44Å; G745-S747 PolarHBondContact O-OG 3.3Å; S747-F764 PolarHBondContact N-O 3.25Å; S747-F764 VanDerWaalsContact N-O 3.12Å; S747-P766 WeakPolarHBondContact OG-CG 3.47Å | ||
| 748 | E | 89.7 | Confident | 91.3 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 135.1 | 173.8 | -79.4 | 177 | -149.9 | 0 | 0 | 109.8 | R635 P636 G638 R763 F764 P766 R769 | R635-E748 HydrophobicContact CB-CG 4.05Å; R635-E748 CarbonylContact O-C 3.51Å; R635-E748 VanDerWaalsContact O-CA 3.32Å; R635-E748 WeakPolarHBondContact O-CA 3.42Å; P636-E748 WeakPolarHBondContact O-CG 3.46Å; G638-E748 PolarHBondContact N-OE2 3.04Å; E748-R763 CarbonylContact O-C 3.28Å; E748-R763 VanDerWaalsContact O-CA 3.26Å; E748-R763 WeakPolarHBondContact O-CA 3.43Å; E748-F764 HydrophobicContact CB-CB 3.93Å; E748-F764 HydrophobicContact CB-CD2 4.48Å; E748-F764 PolarHBondContact N-O 2.72Å; E748-F764 PolarHBondContact O-N 2.89Å; E748-P766 HydrophobicContact CG-CG 4.03Å; E748-R769 IonicContact OE1-NH1 3.81Å; E748-R769 PolarHBondContact OE1-NH1 2.55Å; E748-R769 IonicContact OE2-NH1 3.21Å |
| 749 | T | 90.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.8 | -176.4 | -50.9 | 0 | 0 | 0 | 0 | 112.2 | G632 R635 A637 V751 V761 T762 | G632-T749 PolarHBondContact O-OG1 2.89Å; R635-T749 PolarHBondContact O-N 3.34Å; A637-T749 PolarHBondContact N-O 3.06Å; T749-V751 HydrophobicContact CG2-CG2 4.3Å; T749-V761 HydrophobicContact CG2-CG1 3.98Å; T749-T762 CarbonylContact C-O 3.42Å; T749-T762 VanDerWaalsContact CA-O 3.3Å; T749-T762 WeakPolarHBondContact CA-O 3.42Å |
| 750 | F | 90.8 | Very high | 91.5 | Very high | 100 Ų | 100 | 27.9 Ų | 27.9 | 44% | 0.439 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 131.7 | 169.4 | 178.8 | -113 | 0 | 0 | 0 | 109.2 | A637 D752 T762 F764 | A637-F750 HydrophobicContact CB-CB 4.08Å; F750-D752 HydrophobicContact CD1-CB 4.4Å; F750-D752 HydrophobicContact CE1-CB 3.77Å; F750-D752 HydrophobicContact CZ-CB 4.32Å; F750-T762 PolarHBondContact N-O 3.01Å; F750-T762 PolarHBondContact O-N 3.29Å; F750-F764 HydrophobicContact CB-CE2 3.89Å |
| 751 | V | 92.1 | Very high | 91.7 | Very high | 31 Ų | 31 | 27.4 Ų | 27.4 | 19% | 0.188 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.8 | 179.4 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | V628 H629 T749 L759 V761 | V628-V751 HydrophobicContact CG1-CG2 4.4Å; H629-V751 HydrophobicContact CB-CB 4.49Å; H629-V751 HydrophobicContact CB-CG2 3.98Å; T749-V751 HydrophobicContact CG2-CG2 4.3Å; V751-L759 HydrophobicContact CG1-CD1 3.84Å; V751-V761 HydrophobicContact CG2-CG1 4.32Å |
| 752 | D | 92.3 | Very high | 91.7 | Very high | 64 Ų | 64 | 28 Ų | 28 | 34% | 0.342 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.3 | -175.8 | -170.5 | 18.5 | 0 | 0 | 0 | 110.9 | F750 I754 G760 | F750-D752 HydrophobicContact CD1-CB 4.4Å; F750-D752 HydrophobicContact CE1-CB 3.77Å; F750-D752 HydrophobicContact CZ-CB 4.32Å; D752-I754 PolarHBondContact O-N 3.33Å; D752-G760 PolarHBondContact N-O 3.31Å; D752-G760 PolarHBondContact O-N 3.39Å |
| 753 | Q | 95 | Very high | 91.9 | Very high | 61 Ų | 61 | 27.2 Ų | 27.2 | 29% | 0.285 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 90.4 | 177.8 | -170.5 | 71.7 | 49.3 | 0 | 0 | 109 | C621 T755 | C621-Q753 PolarHBondContact O-OE1 3.18Å; C621-Q753 PolarHBondContact SG-NE2 3.11Å; Q753-T755 PolarHBondContact NE2-O 2.87Å |
| 754 | I | 94.4 | Very high | 92.2 | Very high | 14 Ų | 14 | 26.9 Ų | 26.9 | 7% | 0.072 | 15% | 0.15 | C | C | . | . | trans | -71.4 | -45 | -172.3 | -60.7 | 153.1 | 0 | 0 | 0 | 111.3 | D752 V758 I775 F792 H793 I795 | D752-I754 PolarHBondContact O-N 3.33Å; I754-V758 HydrophobicContact CB-CB 4.29Å; I754-V758 HydrophobicContact CB-CG1 4.05Å; I754-V758 HydrophobicContact CD1-CG1 3.86Å; I754-V758 HydrophobicContact CG2-CG1 4.3Å; I754-V758 PolarHBondContact N-O 3.05Å; I754-V758 VanDerWaalsContact N-O 3.1Å; I754-I775 HydrophobicContact CD1-CG1 4.47Å; I754-I775 HydrophobicContact CD1-CG2 4.23Å; I754-F792 HydrophobicContact CG2-CD2 3.73Å; I754-F792 HydrophobicContact CG2-CE2 4.13Å; I754-F792 HydrophobicContact CG2-CG 4.35Å; I754-H793 PolarHBondContact O-CE1 3.37Å; I754-I795 HydrophobicContact CD1-CD1 3.51Å; I754-I795 HydrophobicContact CD1-CG1 4.3Å; I754-I795 HydrophobicContact CG1-CD1 4.26Å; I754-I795 HydrophobicContact CG2-CD1 4.29Å; I754-I795 HydrophobicContact CG2-CG1 4.31Å | ||
| 755 | T | 94.3 | Very high | 92.3 | Very high | 33 Ų | 33 | 26.8 Ų | 26.8 | 20% | 0.202 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -140.5 | 171.1 | 171.7 | 78.5 | 0 | 0 | 0 | 0 | 108.7 | Q753 N757 V758 F792 | Q753-T755 PolarHBondContact NE2-O 2.87Å; T755-N757 PolarHBondContact O-N 2.91Å; T755-N757 PolarHBondContact OG1-N 3.47Å; T755-V758 HydrophobicContact CG2-CB 4.15Å; T755-V758 HydrophobicContact CG2-CG2 4.24Å; T755-V758 PolarHBondContact N-O 3.38Å; T755-V758 PolarHBondContact O-N 3.3Å; T755-V758 VanDerWaalsContact OG1-CB 3.31Å; T755-V758 WeakPolarHBondContact OG1-CB 3.17Å; T755-V758 VanDerWaalsContact OG1-CG2 3.31Å; T755-V758 WeakPolarHBondContact OG1-CG2 3.23Å; T755-V758 PolarHBondContact OG1-N 3.06Å; T755-F792 HydrophobicContact CG2-CB 3.5Å; T755-F792 VanDerWaalsContact CG2-CB 3.5Å; T755-F792 HydrophobicContact CG2-CD1 4.08Å; T755-F792 HydrophobicContact CG2-CG 3.84Å |
| 756 | P | 93.2 | Very high | 92.3 | Very high | 108 Ų | 108 | 26.2 Ų | 26.2 | 70% | 0.701 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -54.3 | -18.8 | 175.2 | -28.4 | 36.8 | 0 | 0 | 0 | 115.7 | C621 | C621-P756 WeakPolarHBondContact CB-O 3.48Š|
| 757 | N | 94.6 | Very high | 91.7 | Very high | 63 Ų | 63 | 29.1 Ų | 29.1 | 34% | 0.337 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -123 | -8.7 | 179.8 | -64 | -52.4 | 0 | 0 | 0 | 114.3 | T755 T778 | T755-N757 PolarHBondContact O-N 2.91Å; T755-N757 PolarHBondContact OG1-N 3.47Å; N757-T778 WeakPolarHBondContact O-CB 3.38Å; N757-T778 PolarHBondContact O-N 3.38Å; N757-T778 PolarHBondContact O-OG1 3.16Å |
| 758 | V | 95.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.2 | -179.3 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | I754 T755 I775 T776 H777 F792 F872 | I754-V758 HydrophobicContact CB-CB 4.29Å; I754-V758 HydrophobicContact CB-CG1 4.05Å; I754-V758 HydrophobicContact CD1-CG1 3.86Å; I754-V758 HydrophobicContact CG2-CG1 4.3Å; I754-V758 PolarHBondContact N-O 3.05Å; I754-V758 VanDerWaalsContact N-O 3.1Å; T755-V758 HydrophobicContact CG2-CB 4.15Å; T755-V758 HydrophobicContact CG2-CG2 4.24Å; T755-V758 PolarHBondContact N-O 3.38Å; T755-V758 PolarHBondContact O-N 3.3Å; T755-V758 VanDerWaalsContact OG1-CB 3.31Å; T755-V758 WeakPolarHBondContact OG1-CB 3.17Å; T755-V758 VanDerWaalsContact OG1-CG2 3.31Å; T755-V758 WeakPolarHBondContact OG1-CG2 3.23Å; T755-V758 PolarHBondContact OG1-N 3.06Å; V758-I775 HydrophobicContact CG1-CG2 3.94Å; V758-T776 WeakPolarHBondContact CA-O 3.34Å; V758-H777 HydrophobicContact CG2-CB 4.31Å; V758-F792 HydrophobicContact CG1-CE1 4.46Å; V758-F792 HydrophobicContact CG1-CZ 4.28Å; V758-F792 HydrophobicContact CG2-CD1 4.31Å; V758-F792 HydrophobicContact CG2-CE1 4.03Å; V758-F872 HydrophobicContact CG1-CE1 4.3Å |
| 759 | L | 95.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.8 | -178.5 | -170.6 | 70 | 0 | 0 | 0 | 110.3 | V683 V751 V761 I775 T776 | V683-L759 HydrophobicContact CG1-CD2 4.13Å; V683-L759 HydrophobicContact CG2-CD2 3.84Å; V751-L759 HydrophobicContact CG1-CD1 3.84Å; L759-V761 HydrophobicContact CD2-CG2 3.98Å; L759-V761 HydrophobicContact CG-CG2 4.1Å; L759-I775 WeakPolarHBondContact O-CA 3.23Å; L759-T776 HydrophobicContact CB-CG2 4.09Å; L759-T776 PolarHBondContact N-O 2.94Å; L759-T776 PolarHBondContact O-N 3.17Å |
| 760 | G | 95.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 127.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | D752 L774 | D752-G760 PolarHBondContact N-O 3.31Å; D752-G760 PolarHBondContact O-N 3.39Å; G760-L774 CarbonylContact C-O 3.56Å; G760-L774 VanDerWaalsContact CA-O 3.24Å; G760-L774 WeakPolarHBondContact CA-O 3.48Å |
| 761 | V | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 119.9 | 171.6 | -171.8 | 0 | 0 | 0 | 0 | 108.8 | V628 F686 T749 V751 L759 L774 | V628-V761 HydrophobicContact CG1-CG1 4.21Å; V628-V761 HydrophobicContact CG1-CG2 4.5Å; F686-V761 HydrophobicContact CB-CB 4.07Å; F686-V761 HydrophobicContact CB-CG1 3.66Å; F686-V761 HydrophobicContact CD1-CB 4.26Å; F686-V761 HydrophobicContact CD1-CG1 4.18Å; F686-V761 VanDerWaalsContact CD1-O 3.27Å; F686-V761 WeakPolarHBondContact CD1-O 3.37Å; F686-V761 WeakPolarHBondContact CE1-O 3.33Å; F686-V761 HydrophobicContact CG-CB 4.4Å; F686-V761 HydrophobicContact CG-CG1 4.33Å; T749-V761 HydrophobicContact CG2-CG1 3.98Å; V751-V761 HydrophobicContact CG2-CG1 4.32Å; L759-V761 HydrophobicContact CD2-CG2 3.98Å; L759-V761 HydrophobicContact CG-CG2 4.1Å; V761-L774 HydrophobicContact CB-CB 4.39Å; V761-L774 HydrophobicContact CB-CD2 4.36Å; V761-L774 HydrophobicContact CG2-CD2 4.45Å; V761-L774 PolarHBondContact N-O 2.85Å; V761-L774 WeakPolarHBondContact O-CB 3.46Å; V761-L774 PolarHBondContact O-N 3.28Å |
| 762 | T | 94.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 23 Ų | 23 | 8% | 0.08 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.9 | 178.9 | -47.1 | 0 | 0 | 0 | 0 | 109.9 | T749 F750 F764 A771 V772 L773 | T749-T762 CarbonylContact C-O 3.42Å; T749-T762 VanDerWaalsContact CA-O 3.3Å; T749-T762 WeakPolarHBondContact CA-O 3.42Å; F750-T762 PolarHBondContact N-O 3.01Å; F750-T762 PolarHBondContact O-N 3.29Å; T762-F764 HydrophobicContact CG2-CD1 4.49Å; T762-F764 HydrophobicContact CG2-CD2 4.03Å; T762-F764 HydrophobicContact CG2-CE1 3.96Å; T762-F764 HydrophobicContact CG2-CE2 3.43Å; T762-F764 VanDerWaalsContact CG2-CE2 3.43Å; T762-F764 HydrophobicContact CG2-CZ 3.4Å; T762-A771 HydrophobicContact CG2-CB 3.85Å; T762-V772 CarbonylContact C-O 3.47Å; T762-V772 VanDerWaalsContact CA-O 3.3Å; T762-V772 WeakPolarHBondContact CA-O 3.39Å; T762-L773 HydrophobicContact CG2-CB 4.46Å; T762-L773 VanDerWaalsContact OG1-CD1 3.28Å; T762-L773 WeakPolarHBondContact OG1-CD1 3.42Å |
| 763 | R | 93.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.7 | 164.6 | -59.6 | -175.1 | 85.2 | 171 | -9 | 109.8 | F686 A687 C688 F746 E748 A771 V772 | F686-R763 HydrophobicContact CD1-CG 3.89Å; F686-R763 WeakPolarHBondContact O-CD 3.17Å; A687-R763 PolarHBondContact O-NH1 3.32Å; C688-R763 VanDerWaalsContact CA-NH2 3.33Å; C688-R763 PolarHBondContact SG-NH2 2.88Å; F746-R763 HydrophobicContact CB-CB 3.87Å; F746-R763 PolarHBondContact O-NE 3.45Å; F746-R763 PolarHBondContact O-NH2 3.12Å; E748-R763 CarbonylContact O-C 3.28Å; E748-R763 VanDerWaalsContact O-CA 3.26Å; E748-R763 WeakPolarHBondContact O-CA 3.43Å; R763-A771 CarbonylContact O-C 3.57Å; R763-A771 WeakPolarHBondContact O-CA 3.18Å; R763-V772 PolarHBondContact N-O 3.01Å; R763-V772 PolarHBondContact O-N 3.45Å |
| 764 | F | 91.5 | Very high | 91.9 | Very high | 21 Ų | 21 | 17.5 Ų | 17.5 | 9% | 0.092 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.8 | 177.1 | -56.4 | -100.2 | 0 | 0 | 0 | 109.5 | A637 F746 S747 E748 F750 T762 P766 A771 Y1060 | A637-F764 HydrophobicContact CB-CD2 3.76Å; A637-F764 HydrophobicContact CB-CE2 3.52Å; A637-F764 HydrophobicContact CB-CZ 4.22Å; F746-F764 CarbonylContact C-O 3.52Å; F746-F764 VanDerWaalsContact CA-O 3.3Å; F746-F764 WeakPolarHBondContact CA-O 3.44Å; S747-F764 PolarHBondContact N-O 3.25Å; S747-F764 VanDerWaalsContact N-O 3.12Å; E748-F764 HydrophobicContact CB-CB 3.93Å; E748-F764 HydrophobicContact CB-CD2 4.48Å; E748-F764 PolarHBondContact N-O 2.72Å; E748-F764 PolarHBondContact O-N 2.89Å; F750-F764 HydrophobicContact CB-CE2 3.89Å; T762-F764 HydrophobicContact CG2-CD1 4.49Å; T762-F764 HydrophobicContact CG2-CD2 4.03Å; T762-F764 HydrophobicContact CG2-CE1 3.96Å; T762-F764 HydrophobicContact CG2-CE2 3.43Å; T762-F764 VanDerWaalsContact CG2-CE2 3.43Å; T762-F764 HydrophobicContact CG2-CZ 3.4Å; F764-P766 WeakPolarHBondContact O-CD 3.32Å; F764-A771 HydrophobicContact CD1-CB 3.4Å; F764-A771 HydrophobicContact CE1-CB 3.5Å; F764-A771 VanDerWaalsContact CE1-CB 3.5Å; F764-A771 HydrophobicContact CG-CB 4.18Å; F764-A771 HydrophobicContact CZ-CB 4.34Å; F764-Y1060 WeakPolarHBondContact CD1-OH 3.26Å; F764-Y1060 HydrophobicContact CE1-CE2 4.24Å; F764-Y1060 AromaticContact CE1-CZ 3.84Å; F764-Y1060 VanDerWaalsContact CE1-OH 3.25Å; F764-Y1060 WeakPolarHBondContact CE1-OH 3.34Å |
| 765 | C | 89.3 | Confident | 92 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.02 | 10% | 0.097 | C | C | . | . | trans | -84.5 | 115.9 | 166.6 | 174 | 0 | 0 | 0 | 0 | 108.2 | F746 E767 T768 R769 E770 | F746-C765 HydrophobicContact CD1-CB 3.71Å; F746-C765 VanDerWaalsContact CD1-N 3.34Å; F746-C765 HydrophobicContact CD2-CB 4.16Å; F746-C765 HydrophobicContact CE1-CB 3.72Å; F746-C765 HydrophobicContact CE2-CB 4.19Å; F746-C765 HydrophobicContact CG-CB 3.94Å; F746-C765 HydrophobicContact CZ-CB 3.97Å; C765-E767 PolarHBondContact O-N 3.47Å; C765-E767 PolarHBondContact SG-OE2 3.22Å; C765-T768 WeakPolarHBondContact CB-OG1 3.29Å; C765-T768 PolarHBondContact SG-N 3.36Å; C765-T768 VanDerWaalsContact SG-N 3.39Å; C765-T768 PolarHBondContact SG-OG1 2.65Å; C765-T768 VanDerWaalsContact SG-OG1 3.33Å; C765-R769 WeakPolarHBondContact O-CA 3.17Å; C765-R769 PolarHBondContact O-N 3.37Å; C765-E770 PolarHBondContact N-O 2.75Å | ||
| 766 | P | 83.4 | Confident | 92.2 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 3% | 0.026 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -36.4 | 177.8 | -25.3 | 35.9 | 0 | 0 | 0 | 112.5 | G745 S747 E748 F764 R769 Y908 | G745-P766 WeakPolarHBondContact O-CD 3.27Å; S747-P766 WeakPolarHBondContact OG-CG 3.47Å; E748-P766 HydrophobicContact CG-CG 4.03Å; F764-P766 WeakPolarHBondContact O-CD 3.32Å; P766-R769 VanDerWaalsContact O-CD 3.25Å; P766-R769 WeakPolarHBondContact O-CD 3.08Å; P766-R769 PolarHBondContact O-NE 3.44Å; P766-R769 VanDerWaalsContact O-NE 3.08Å; P766-Y908 HydrophobicContact CB-CD1 4.49Å; P766-Y908 HydrophobicContact CB-CE1 3.46Å; P766-Y908 VanDerWaalsContact CB-CE1 3.46Å; P766-Y908 VanDerWaalsContact CB-OH 3.23Å; P766-Y908 WeakPolarHBondContact CB-OH 3.28Å; P766-Y908 WeakPolarHBondContact O-CE2 3.39Å; P766-Y908 PolarHBondContact O-OH 2.98Å; P766-Y908 VanDerWaalsContact O-OH 3.09Å |
| 767 | E | 79.5 | Confident | 92.3 | Very high | 62 Ų | 62 | 10.5 Ų | 10.5 | 29% | 0.29 | 6% | 0.055 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -52.4 | -175.5 | -62.7 | 71.4 | -161.7 | 0 | 0 | 113 | C765 Y908 L928 | C765-E767 PolarHBondContact O-N 3.47Å; C765-E767 PolarHBondContact SG-OE2 3.22Å; E767-Y908 HydrophobicContact CB-CD1 4.42Å; E767-Y908 HydrophobicContact CB-CG 4.23Å; E767-Y908 HydrophobicContact CG-CD1 3.67Å; E767-Y908 HydrophobicContact CG-CE1 4.4Å; E767-Y908 HydrophobicContact CG-CG 3.8Å; E767-L928 WeakPolarHBondContact O-CD1 3.36Å |
| 768 | T | 81.7 | Confident | 92.4 | Very high | 22 Ų | 22 | 7.6 Ų | 7.6 | 14% | 0.135 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -18.5 | -176.7 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | C765 E770 L926 | C765-T768 WeakPolarHBondContact CB-OG1 3.29Å; C765-T768 PolarHBondContact SG-N 3.36Å; C765-T768 VanDerWaalsContact SG-N 3.39Å; C765-T768 PolarHBondContact SG-OG1 2.65Å; C765-T768 VanDerWaalsContact SG-OG1 3.33Å; T768-E770 PolarHBondContact O-N 3.36Å; T768-E770 VanDerWaalsContact O-N 3.12Å; T768-E770 VanDerWaalsContact OG1-CB 3.3Å; T768-E770 WeakPolarHBondContact OG1-CB 3.47Å; T768-E770 PolarHBondContact OG1-N 2.77Å; T768-L926 WeakPolarHBondContact CB-O 3.34Å; T768-L926 WeakPolarHBondContact CG2-O 3.41Å |
| 769 | R | 87.3 | Confident | 92.3 | Very high | 3 Ų | 3 | 7.7 Ų | 7.7 | 1% | 0.011 | 4% | 0.041 | C | C | . | . | trans | 58.5 | 12.2 | -169.5 | -56.7 | -60.5 | -168.1 | -175.3 | -3.1 | 114.3 | E748 C765 P766 L884 I892 Y908 L1061 Y1065 | E748-R769 IonicContact OE1-NH1 3.81Å; E748-R769 PolarHBondContact OE1-NH1 2.55Å; E748-R769 IonicContact OE2-NH1 3.21Å; C765-R769 WeakPolarHBondContact O-CA 3.17Å; C765-R769 PolarHBondContact O-N 3.37Å; P766-R769 VanDerWaalsContact O-CD 3.25Å; P766-R769 WeakPolarHBondContact O-CD 3.08Å; P766-R769 PolarHBondContact O-NE 3.44Å; P766-R769 VanDerWaalsContact O-NE 3.08Å; R769-L884 HydrophobicContact CB-CD1 3.78Å; R769-I892 HydrophobicContact CB-CD1 4.21Å; R769-I892 HydrophobicContact CG-CD1 3.93Å; R769-Y908 PolarHBondContact NH2-OH 3.17Å; R769-L1061 HydrophobicContact CG-CD1 4.48Å; R769-Y1065 PolarHBondContact NE-OH 3.41Å; R769-Y1065 VanDerWaalsContact NE-OH 3.12Å | ||
| 770 | E | 89.6 | Confident | 92.2 | Very high | 5 Ų | 5 | 8.2 Ų | 8.2 | 2% | 0.023 | 4% | 0.043 | C | C | . | . | trans | -65.2 | 140.9 | 165.9 | -165.5 | 178.7 | 152.1 | 0 | 0 | 109.2 | F746 C765 T768 S881 I882 Y923 P925 L926 | F746-E770 HydrophobicContact CE1-CB 4.14Å; F746-E770 HydrophobicContact CE1-CG 4.37Å; F746-E770 VanDerWaalsContact CE1-O 3.32Å; F746-E770 WeakPolarHBondContact CE1-O 3.41Å; F746-E770 HydrophobicContact CZ-CB 4.25Å; F746-E770 HydrophobicContact CZ-CG 4.41Å; C765-E770 PolarHBondContact N-O 2.75Å; T768-E770 PolarHBondContact O-N 3.36Å; T768-E770 VanDerWaalsContact O-N 3.12Å; T768-E770 VanDerWaalsContact OG1-CB 3.3Å; T768-E770 WeakPolarHBondContact OG1-CB 3.47Å; T768-E770 PolarHBondContact OG1-N 2.77Å; E770-S881 PolarHBondContact OE1-OG 2.98Å; E770-I882 WeakPolarHBondContact CG-O 3.17Å; E770-Y923 WeakPolarHBondContact OE1-CE1 3.45Å; E770-Y923 VanDerWaalsContact OE1-CZ 3.25Å; E770-Y923 PolarHBondContact OE1-OH 2.96Å; E770-Y923 PolarHBondContact OE2-OH 3.42Å; E770-P925 VanDerWaalsContact OE2-CA 3.23Å; E770-P925 WeakPolarHBondContact OE2-CA 3.24Å; E770-P925 WeakPolarHBondContact OE2-CB 3.46Å; E770-L926 PolarHBondContact OE2-N 3.28Å | ||
| 771 | A | 92.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 4% | 0.041 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 145.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T762 R763 F764 I882 | T762-A771 HydrophobicContact CG2-CB 3.85Å; R763-A771 CarbonylContact O-C 3.57Å; R763-A771 WeakPolarHBondContact O-CA 3.18Å; F764-A771 HydrophobicContact CD1-CB 3.4Å; F764-A771 HydrophobicContact CE1-CB 3.5Å; F764-A771 VanDerWaalsContact CE1-CB 3.5Å; F764-A771 HydrophobicContact CG-CB 4.18Å; F764-A771 HydrophobicContact CZ-CB 4.34Å; A771-I882 HydrophobicContact CB-CB 4.24Å; A771-I882 PolarHBondContact N-O 3.07Å; A771-I882 PolarHBondContact O-N 2.88Å |
| 772 | V | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.3 | 171.5 | -180 | 0 | 0 | 0 | 0 | 106.2 | F686 L737 W740 L741 F746 T762 R763 L805 V879 V880 | F686-V772 HydrophobicContact CE1-CB 4.38Å; F686-V772 HydrophobicContact CE1-CG1 3.88Å; F686-V772 WeakPolarHBondContact CE1-O 3.48Å; F686-V772 HydrophobicContact CZ-CG1 3.67Å; L737-V772 HydrophobicContact CD1-CG1 4.48Å; W740-V772 HydrophobicContact CH2-CG2 4.33Å; W740-V772 HydrophobicContact CZ3-CG2 3.99Å; L741-V772 HydrophobicContact CD2-CB 3.85Å; L741-V772 HydrophobicContact CD2-CG1 4.17Å; L741-V772 HydrophobicContact CD2-CG2 3.83Å; F746-V772 HydrophobicContact CD1-CG2 4.09Å; F746-V772 HydrophobicContact CE1-CG2 3.6Å; F746-V772 HydrophobicContact CZ-CG2 3.98Å; T762-V772 CarbonylContact C-O 3.47Å; T762-V772 VanDerWaalsContact CA-O 3.3Å; T762-V772 WeakPolarHBondContact CA-O 3.39Å; R763-V772 PolarHBondContact N-O 3.01Å; R763-V772 PolarHBondContact O-N 3.45Å; V772-L805 HydrophobicContact CG1-CD1 3.8Å; V772-L805 HydrophobicContact CG2-CD1 4.22Å; V772-V879 HydrophobicContact CG1-CG1 3.52Å; V772-V880 WeakPolarHBondContact CA-O 3.48Å |
| 773 | L | 96.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 5% | 0.047 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.5 | -176.6 | 168.7 | 63.7 | 0 | 0 | 0 | 109.4 | T762 I775 I795 L797 L867 V879 V880 I882 | T762-L773 HydrophobicContact CG2-CB 4.46Å; T762-L773 VanDerWaalsContact OG1-CD1 3.28Å; T762-L773 WeakPolarHBondContact OG1-CD1 3.42Å; L773-I775 HydrophobicContact CD1-CG1 4.11Å; L773-I775 HydrophobicContact CD2-CD1 3.81Å; L773-I775 HydrophobicContact CD2-CG1 4.13Å; L773-I775 HydrophobicContact CG-CD1 4.13Å; L773-I775 HydrophobicContact CG-CG1 3.95Å; L773-I795 HydrophobicContact CD2-CG2 4.37Å; L773-L797 HydrophobicContact CD2-CD2 3.48Å; L773-L797 VanDerWaalsContact CD2-CD2 3.48Å; L773-L867 HydrophobicContact CD2-CD1 4.4Å; L773-V879 VanDerWaalsContact O-CA 3.28Å; L773-V879 WeakPolarHBondContact O-CA 3.47Å; L773-V880 HydrophobicContact CB-CG2 4.03Å; L773-V880 HydrophobicContact CD2-CG2 4.3Å; L773-V880 HydrophobicContact CG-CG2 4.43Å; L773-V880 PolarHBondContact N-O 3.04Å; L773-V880 PolarHBondContact O-N 3.48Å; L773-I882 HydrophobicContact CB-CD1 3.66Å; L773-I882 HydrophobicContact CB-CG1 4.49Å; L773-I882 HydrophobicContact CD2-CD1 4Å; L773-I882 HydrophobicContact CG-CD1 4.49Å |
| 774 | L | 97.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131.7 | 162.9 | 170 | 66.8 | 0 | 0 | 0 | 109.5 | A682 V683 F686 G760 V761 T776 V877 V879 | A682-L774 VanDerWaalsContact C-CD2 3.46Å; A682-L774 HydrophobicContact CB-CD1 3.81Å; A682-L774 HydrophobicContact CB-CD2 4.16Å; A682-L774 VanDerWaalsContact O-CD2 3.3Å; A682-L774 WeakPolarHBondContact O-CD2 3.46Å; V683-L774 HydrophobicContact CG2-CD2 4.13Å; F686-L774 HydrophobicContact CB-CD2 4.32Å; F686-L774 HydrophobicContact CD1-CB 3.76Å; F686-L774 HydrophobicContact CD2-CB 3.77Å; F686-L774 HydrophobicContact CD2-CD2 3.78Å; F686-L774 HydrophobicContact CD2-CG 4.29Å; F686-L774 HydrophobicContact CE1-CB 3.61Å; F686-L774 HydrophobicContact CE2-CB 3.62Å; F686-L774 HydrophobicContact CE2-CD1 4.44Å; F686-L774 HydrophobicContact CE2-CD2 4.3Å; F686-L774 HydrophobicContact CE2-CG 4.34Å; F686-L774 HydrophobicContact CG-CB 3.86Å; F686-L774 HydrophobicContact CG-CD2 4.02Å; F686-L774 HydrophobicContact CZ-CB 3.55Å; G760-L774 CarbonylContact C-O 3.56Å; G760-L774 VanDerWaalsContact CA-O 3.24Å; G760-L774 WeakPolarHBondContact CA-O 3.48Å; V761-L774 HydrophobicContact CB-CB 4.39Å; V761-L774 HydrophobicContact CB-CD2 4.36Å; V761-L774 HydrophobicContact CG2-CD2 4.45Å; V761-L774 PolarHBondContact N-O 2.85Å; V761-L774 WeakPolarHBondContact O-CB 3.46Å; V761-L774 PolarHBondContact O-N 3.28Å; L774-T776 HydrophobicContact CD2-CG2 4.42Å; L774-T776 HydrophobicContact CG-CG2 4.49Å; L774-V877 HydrophobicContact CD1-CG1 3.64Å; L774-V879 HydrophobicContact CB-CG2 4.46Å; L774-V879 HydrophobicContact CD1-CG2 3.78Å |
| 775 | I | 97.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.7 | 163.2 | -61.6 | 157.3 | 0 | 0 | 0 | 106.8 | I754 V758 L759 L773 I795 L867 F869 F872 V878 | I754-I775 HydrophobicContact CD1-CG1 4.47Å; I754-I775 HydrophobicContact CD1-CG2 4.23Å; V758-I775 HydrophobicContact CG1-CG2 3.94Å; L759-I775 WeakPolarHBondContact O-CA 3.23Å; L773-I775 HydrophobicContact CD1-CG1 4.11Å; L773-I775 HydrophobicContact CD2-CD1 3.81Å; L773-I775 HydrophobicContact CD2-CG1 4.13Å; L773-I775 HydrophobicContact CG-CD1 4.13Å; L773-I775 HydrophobicContact CG-CG1 3.95Å; I775-I795 HydrophobicContact CD1-CD1 3.51Å; I775-I795 HydrophobicContact CD1-CG2 4.44Å; I775-I795 HydrophobicContact CG1-CD1 3.97Å; I775-I795 HydrophobicContact CG2-CD1 4.08Å; I775-L867 HydrophobicContact CD1-CD1 3.63Å; I775-F869 HydrophobicContact CB-CZ 4.27Å; I775-F869 HydrophobicContact CD1-CE2 3.7Å; I775-F869 HydrophobicContact CD1-CZ 3.54Å; I775-F869 HydrophobicContact CG2-CZ 4.05Å; I775-F872 HydrophobicContact CG2-CE1 3.82Å; I775-F872 HydrophobicContact CG2-CZ 3.89Å; I775-F872 WeakPolarHBondContact O-CZ 3.08Å; I775-V878 PolarHBondContact N-O 3.02Å; I775-V878 PolarHBondContact O-N 3.26Å |
| 776 | T | 97 | Very high | 91 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140.1 | -179.4 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | P679 V683 V758 L759 L774 S876 | P679-T776 WeakPolarHBondContact CA-OG1 3.41Å; P679-T776 VanDerWaalsContact CB-OG1 3.26Å; P679-T776 WeakPolarHBondContact CB-OG1 3.39Å; V683-T776 HydrophobicContact CG2-CG2 3.46Å; V683-T776 VanDerWaalsContact CG2-CG2 3.46Å; V758-T776 WeakPolarHBondContact CA-O 3.34Å; L759-T776 HydrophobicContact CB-CG2 4.09Å; L759-T776 PolarHBondContact N-O 2.94Å; L759-T776 PolarHBondContact O-N 3.17Å; L774-T776 HydrophobicContact CD2-CG2 4.42Å; L774-T776 HydrophobicContact CG-CG2 4.49Å; T776-S876 WeakPolarHBondContact CA-O 3.34Å |
| 777 | H | 96.6 | Very high | 91.3 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 102.7 | 171.5 | -164.5 | -39.9 | 0 | 0 | 0 | 109.5 | P679 V758 F872 G875 S876 | P679-H777 VanDerWaalsContact CG-O 3.25Å; P679-H777 WeakPolarHBondContact CG-O 3.35Å; V758-H777 HydrophobicContact CG2-CB 4.31Å; H777-F872 HydrophobicContact CB-CD1 3.97Å; H777-F872 HydrophobicContact CB-CE1 3.62Å; H777-F872 HydrophobicContact CB-CZ 4.26Å; H777-F872 PolarHBondContact CD2-O 2.88Å; H777-G875 WeakPolarHBondContact O-CA 3.2Å; H777-G875 PolarHBondContact O-N 3.38Å; H777-S876 PolarHBondContact N-O 3.02Å |
| 778 | T | 95.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | trans | -70.1 | 160.8 | 177.2 | 67.7 | 0 | 0 | 0 | 0 | 111.6 | C621 L624 P679 N757 F780 | C621-T778 HydrophobicContact CB-CG2 4.44Å; L624-T778 HydrophobicContact CD2-CG2 4.28Å; P679-T778 HydrophobicContact CB-CG2 4.16Å; N757-T778 WeakPolarHBondContact O-CB 3.38Å; N757-T778 PolarHBondContact O-N 3.38Å; N757-T778 PolarHBondContact O-OG1 3.16Å; T778-F780 HydrophobicContact CG2-CE2 4.09Å | ||
| 779 | A | 94.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | trans | -139.7 | 60.4 | 180 | 0 | 0 | 0 | 0 | 0 | 110.3 | F675 N676 H781 P783 P874 | F675-A779 HydrophobicContact CB-CB 3.8Å; N676-A779 HydrophobicContact CB-CB 4.17Å; N676-A779 WeakPolarHBondContact CB-O 3.5Å; N676-A779 PolarHBondContact OD1-N 3.29Å; A779-H781 CarbonylContact C-O 3.28Å; A779-H781 PolarHBondContact O-N 3.05Å; A779-P783 HydrophobicContact CB-CG 4.47Å; A779-P874 HydrophobicContact CB-CB 4.27Å | ||
| 780 | F | 92.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 5% | 0.048 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -61 | -32.9 | 174.8 | -78.3 | -90.6 | 0 | 0 | 0 | 112.1 | A618 D620 C621 L624 H672 L680 T778 | A618-F780 HydrophobicContact CB-CE1 4.28Å; A618-F780 HydrophobicContact CB-CZ 4.3Å; A618-F780 WeakPolarHBondContact O-CE1 3.47Å; D620-F780 VanDerWaalsContact C-CE2 3.42Å; D620-F780 VanDerWaalsContact O-CZ 3.28Å; D620-F780 WeakPolarHBondContact O-CZ 3.37Å; C621-F780 VanDerWaalsContact CA-CE2 3.47Å; C621-F780 HydrophobicContact CB-CD2 4.24Å; C621-F780 HydrophobicContact CB-CE2 3.98Å; C621-F780 VanDerWaalsContact N-CE2 3.27Å; L624-F780 HydrophobicContact CB-CZ 4.13Å; L624-F780 HydrophobicContact CD2-CE2 4.32Å; L624-F780 HydrophobicContact CD2-CZ 4.16Å; H672-F780 AromaticContact CD2-CD1 3.88Å; H672-F780 AromaticContact CE1-CD1 3.61Å; H672-F780 AromaticContact CE1-CE1 3.57Å; H672-F780 AromaticContact NE2-CD1 3.45Å; H672-F780 WeakPolarHBondContact NE2-CD1 3.5Å; H672-F780 AromaticContact NE2-CE1 3.78Å; L680-F780 HydrophobicContact CD2-CZ 4.47Å; T778-F780 HydrophobicContact CG2-CE2 4.09Å |
| 781 | H | 89.6 | Confident | 92.2 | Very high | 149 Ų | 149 | 43.5 Ų | 43.5 | 69% | 0.69 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -104.9 | 151.8 | 169.9 | -57.5 | -58.7 | 0 | 0 | 0 | 110.6 | A779 P783 | A779-H781 CarbonylContact C-O 3.28Å; A779-H781 PolarHBondContact O-N 3.05Å; H781-P783 VanDerWaalsContact O-CD 3.32Å; H781-P783 WeakPolarHBondContact O-CD 3.19Å |
| 782 | D | 89.1 | Confident | 92.2 | Very high | 83 Ų | 83 | 44.8 Ų | 44.8 | 44% | 0.444 | 24% | 0.243 | S | C | . | . | trans | -72.3 | 116.4 | -176 | -163.6 | 39 | 0 | 0 | 0 | 112.2 | S673 Y816 | S673-D782 WeakPolarHBondContact CB-OD1 3.48Å; S673-D782 PolarHBondContact OG-OD1 3.15Å; D782-Y816 PolarHBondContact OD1-OH 3.38Å; D782-Y816 VanDerWaalsContact OD2-CE1 3.29Å; D782-Y816 WeakPolarHBondContact OD2-CE1 3.45Å; D782-Y816 VanDerWaalsContact OD2-CZ 3.32Å; D782-Y816 PolarHBondContact OD2-OH 2.97Å | ||
| 783 | P | 90 | Very high | 92 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 29% | 0.292 | 27% | 0.267 | S | S | . | . | trans | -88.4 | -0.4 | -172.8 | 37.4 | -36.2 | 0 | 0 | 0 | 113.7 | S673 F675 A779 H781 P787 P874 | S673-P783 VanDerWaalsContact OG-CD 3.29Å; S673-P783 WeakPolarHBondContact OG-CD 3.47Å; F675-P783 HydrophobicContact CB-CG 4.42Å; F675-P783 HydrophobicContact CD2-CG 3.56Å; F675-P783 HydrophobicContact CE2-CG 4.08Å; F675-P783 HydrophobicContact CG-CG 4.16Å; A779-P783 HydrophobicContact CB-CG 4.47Å; H781-P783 VanDerWaalsContact O-CD 3.32Å; H781-P783 WeakPolarHBondContact O-CD 3.19Å; P783-P787 HydrophobicContact CB-CB 3.99Å; P783-P787 HydrophobicContact CG-CB 4.06Å; P783-P874 HydrophobicContact CB-CB 4Å; P783-P874 HydrophobicContact CB-CG 3.93Å; P783-P874 HydrophobicContact CG-CB 3.95Å; P783-P874 HydrophobicContact CG-CG 4.42Å | ||
| 784 | G | 90 | Very high | 91.8 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | trans | 85.7 | 178.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F675 N786 Y816 | F675-G784 VanDerWaalsContact CE2-O 3.29Å; F675-G784 WeakPolarHBondContact CE2-O 3.36Å; G784-N786 PolarHBondContact O-N 3.34Å; G784-Y816 VanDerWaalsContact CA-OH 3.3Å; G784-Y816 WeakPolarHBondContact CA-OH 3.15Å; G784-Y816 PolarHBondContact N-OH 3.5Å; G784-Y816 PolarHBondContact O-OH 2.65Å | ||
| 785 | P | 88.1 | Confident | 91.6 | Very high | 48 Ų | 48 | 53 Ų | 53 | 31% | 0.312 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -70.1 | -28 | -171.9 | 23.8 | -32 | 0 | 0 | 0 | 114.8 | P787 F812 Y816 | P785-P787 VanDerWaalsContact C-CD 3.44Å; P785-P787 WeakPolarHBondContact O-CD 3.3Å; P785-F812 HydrophobicContact CB-CD1 3.82Å; P785-F812 HydrophobicContact CB-CE1 4.03Å; P785-F812 WeakPolarHBondContact O-CB 3.42Å; P785-Y816 HydrophobicContact CB-CD2 3.53Å; P785-Y816 HydrophobicContact CB-CE2 4.14Å; P785-Y816 HydrophobicContact CB-CG 3.71Å; P785-Y816 HydrophobicContact CG-CD1 4.41Å; P785-Y816 HydrophobicContact CG-CD2 4.28Å; P785-Y816 HydrophobicContact CG-CG 4.02Å |
| 786 | N | 87.9 | Confident | 91.3 | Very high | 111 Ų | 111 | 62.1 Ų | 62.1 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -123.6 | 70.7 | -178.3 | -63.9 | -51.6 | 0 | 0 | 0 | 108.8 | G784 H788 | G784-N786 PolarHBondContact O-N 3.34Å; N786-H788 PolarHBondContact O-CD2 3.4Å; N786-H788 VanDerWaalsContact O-CD2 3.28Å; N786-H788 PolarHBondContact O-N 2.96Å; N786-H788 PolarHBondContact O-NE2 2.96Å |
| 787 | P | 88.4 | Confident | 90.9 | Very high | 19 Ų | 19 | 62.6 Ų | 62.6 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | trans | -61.5 | 135 | 175.9 | 27.8 | -33.9 | 0 | 0 | 0 | 109.2 | F675 P783 P785 P873 P874 | F675-P787 HydrophobicContact CD1-CG 4.05Å; F675-P787 HydrophobicContact CE1-CG 3.55Å; F675-P787 HydrophobicContact CE2-CG 4.09Å; F675-P787 HydrophobicContact CZ-CG 3.57Å; P783-P787 HydrophobicContact CB-CB 3.99Å; P783-P787 HydrophobicContact CG-CB 4.06Å; P785-P787 VanDerWaalsContact C-CD 3.44Å; P785-P787 WeakPolarHBondContact O-CD 3.3Å; P787-P873 HydrophobicContact CB-CB 4.27Å; P787-P873 HydrophobicContact CG-CB 4.41Å; P787-P873 WeakPolarHBondContact O-CB 3.44Å; P787-P874 HydrophobicContact CB-CB 3.96Å; P787-P874 HydrophobicContact CB-CG 3.78Å | ||
| 788 | H | 89.3 | Confident | 90.2 | Very high | 147 Ų | 147 | 64.3 Ų | 64.3 | 68% | 0.681 | 34% | 0.342 | S | S | * | . | trans | -110.7 | 159.2 | 179.2 | -62.7 | -58.8 | 0 | 0 | 0 | 110.5 | N786 P874 | N786-H788 PolarHBondContact O-CD2 3.4Å; N786-H788 VanDerWaalsContact O-CD2 3.28Å; N786-H788 PolarHBondContact O-N 2.96Å; N786-H788 PolarHBondContact O-NE2 2.96Å; H788-P874 WeakPolarHBondContact O-CD 2.91Å | ||
| 789 | H | 91.8 | Very high | 89.9 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 16% | 0.157 | 34% | 0.342 | C | S | . | . | trans | -59.9 | 141.2 | 171.5 | -178.6 | 55.1 | 0 | 0 | 0 | 110.6 | D791 F792 F869 F872 | H789-D791 IonicContact CD2-OD1 3.29Å; H789-D791 PolarHBondContact CD2-OD1 3.1Å; H789-D791 VanDerWaalsContact CD2-OD1 3.29Å; H789-D791 IonicContact NE2-OD1 3.48Å; H789-D791 PolarHBondContact NE2-OD1 3.49Å; H789-F792 AromaticContact CE1-CE1 3.67Å; H789-F869 PolarHBondContact NE2-O 2.77Å; H789-F872 WeakPolarHBondContact ND1-CB 3.17Å; H789-F872 PolarHBondContact ND1-N 2.9Å; H789-F872 VanDerWaalsContact ND1-N 3.2Å; H789-F872 PolarHBondContact ND1-O 3.44Å | ||
| 790 | S | 88.1 | Confident | 89.8 | Confident | 74 Ų | 74 | 67.5 Ų | 67.5 | 52% | 0.517 | 35% | 0.354 | S | S | . | . | trans | -111.7 | 122.7 | 166.5 | -62 | 0 | 0 | 0 | 0 | 107.6 | F792 | S790-F792 WeakPolarHBondContact O-CD1 2.91Å; S790-F792 PolarHBondContact O-N 2.99Å | ||
| 791 | D | 88.6 | Confident | 89.9 | Confident | 149 Ų | 149 | 68 Ų | 68 | 80% | 0.797 | 36% | 0.357 | S | S | * | . | trans | -60.6 | 135.4 | -178.6 | -65.8 | -20 | 0 | 0 | 0 | 110.7 | H789 | H789-D791 IonicContact CD2-OD1 3.29Å; H789-D791 PolarHBondContact CD2-OD1 3.1Å; H789-D791 VanDerWaalsContact CD2-OD1 3.29Å; H789-D791 IonicContact NE2-OD1 3.48Å; H789-D791 PolarHBondContact NE2-OD1 3.49Å | ||
| 792 | F | 92.2 | Very high | 90 | Very high | 32 Ų | 32 | 62.7 Ų | 62.7 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | trans | -139.5 | 167.2 | 170.5 | 54.3 | -96.4 | 0 | 0 | 0 | 110 | I754 T755 V758 H789 S790 I795 F869 F872 | I754-F792 HydrophobicContact CG2-CD2 3.73Å; I754-F792 HydrophobicContact CG2-CE2 4.13Å; I754-F792 HydrophobicContact CG2-CG 4.35Å; T755-F792 HydrophobicContact CG2-CB 3.5Å; T755-F792 VanDerWaalsContact CG2-CB 3.5Å; T755-F792 HydrophobicContact CG2-CD1 4.08Å; T755-F792 HydrophobicContact CG2-CG 3.84Å; V758-F792 HydrophobicContact CG1-CE1 4.46Å; V758-F792 HydrophobicContact CG1-CZ 4.28Å; V758-F792 HydrophobicContact CG2-CD1 4.31Å; V758-F792 HydrophobicContact CG2-CE1 4.03Å; H789-F792 AromaticContact CE1-CE1 3.67Å; S790-F792 WeakPolarHBondContact O-CD1 2.91Å; S790-F792 PolarHBondContact O-N 2.99Å; F792-I795 HydrophobicContact CE2-CD1 3.85Å; F792-I795 HydrophobicContact CE2-CG1 4.21Å; F792-F869 HydrophobicContact CE1-CB 4.4Å; F792-F869 HydrophobicContact CE2-CB 4.15Å; F792-F869 AromaticContact CE2-CD2 3.77Å; F792-F869 HydrophobicContact CE2-CD2 3.77Å; F792-F869 HydrophobicContact CE2-CG 4.08Å; F792-F869 HydrophobicContact CZ-CB 3.75Å; F792-F869 HydrophobicContact CZ-CD1 4.36Å; F792-F869 AromaticContact CZ-CD2 3.84Å; F792-F869 HydrophobicContact CZ-CD2 3.84Å; F792-F869 AromaticContact CZ-CG 3.7Å; F792-F869 HydrophobicContact CZ-CG 3.7Å; F792-F872 HydrophobicContact CE1-CD1 4.14Å; F792-F872 HydrophobicContact CZ-CD1 4.09Å | ||
| 793 | H | 91.3 | Very high | 90.2 | Very high | 112 Ų | 112 | 61.7 Ų | 61.7 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | trans | -61.3 | 149.5 | -174.5 | 59.4 | -87.7 | 0 | 0 | 0 | 111.9 | I754 I795 | I754-H793 PolarHBondContact O-CE1 3.37Å; H793-I795 PolarHBondContact O-N 2.97Å | ||
| 794 | P | 92.6 | Very high | 90.4 | Very high | 55 Ų | 55 | 59.6 Ų | 59.6 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | trans | -56.3 | 135.2 | 176.8 | -11.9 | 18 | 0 | 0 | 0 | 111.1 | R796 L867 L868 | P794-R796 PolarHBondContact O-N 2.78Å; P794-L867 WeakPolarHBondContact CA-O 3.47Å; P794-L868 HydrophobicContact CB-CD1 3.82Å; P794-L868 HydrophobicContact CG-CD1 3.55Å | ||
| 795 | I | 93.4 | Very high | 90.7 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 104.7 | 178.3 | -62 | 171.7 | 0 | 0 | 0 | 108 | I754 L773 I775 F792 H793 L797 S866 L867 F869 | I754-I795 HydrophobicContact CD1-CD1 3.51Å; I754-I795 HydrophobicContact CD1-CG1 4.3Å; I754-I795 HydrophobicContact CG1-CD1 4.26Å; I754-I795 HydrophobicContact CG2-CD1 4.29Å; I754-I795 HydrophobicContact CG2-CG1 4.31Å; L773-I795 HydrophobicContact CD2-CG2 4.37Å; I775-I795 HydrophobicContact CD1-CD1 3.51Å; I775-I795 HydrophobicContact CD1-CG2 4.44Å; I775-I795 HydrophobicContact CG1-CD1 3.97Å; I775-I795 HydrophobicContact CG2-CD1 4.08Å; F792-I795 HydrophobicContact CE2-CD1 3.85Å; F792-I795 HydrophobicContact CE2-CG1 4.21Å; H793-I795 PolarHBondContact O-N 2.97Å; I795-L797 HydrophobicContact CG2-CD2 4.18Å; I795-S866 CarbonylContact O-C 3.55Å; I795-S866 WeakPolarHBondContact O-CA 3.17Å; I795-L867 HydrophobicContact CB-CB 4.37Å; I795-L867 PolarHBondContact N-O 3.49Å; I795-L867 PolarHBondContact O-N 3.27Å; I795-F869 HydrophobicContact CD1-CD2 4.19Å; I795-F869 HydrophobicContact CD1-CE2 3.75Å |
| 796 | R | 90.9 | Very high | 91 | Very high | 193 Ų | 193 | 56.5 Ų | 56.5 | 73% | 0.728 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 125.9 | 178.8 | -66.8 | -178.8 | 179.6 | -178.6 | 0.1 | 110.1 | P794 | P794-R796 PolarHBondContact O-N 2.78Å |
| 797 | L | 89.5 | Confident | 91.5 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | trans | -94.8 | 148.4 | 179.2 | -50.3 | -178.9 | 0 | 0 | 0 | 110.7 | L773 I795 G799 V801 D865 L867 I882 | L773-L797 HydrophobicContact CD2-CD2 3.48Å; L773-L797 VanDerWaalsContact CD2-CD2 3.48Å; I795-L797 HydrophobicContact CG2-CD2 4.18Å; L797-G799 PolarHBondContact O-N 2.95Å; L797-G799 VanDerWaalsContact O-N 3.11Å; L797-V801 HydrophobicContact CD1-CG2 3.4Å; L797-D865 WeakPolarHBondContact CB-O 3.04Å; L797-D865 HydrophobicContact CD1-CB 4.26Å; L797-D865 WeakPolarHBondContact CG-O 3.29Å; L797-D865 PolarHBondContact N-O 3.22Å; L797-L867 HydrophobicContact CD1-CD1 4.37Å; L797-L867 HydrophobicContact CD1-CD2 3.91Å; L797-L867 HydrophobicContact CD1-CG 3.94Å; L797-L867 HydrophobicContact CD2-CD1 4.1Å; L797-L867 HydrophobicContact CD2-CG 4.08Å; L797-L867 HydrophobicContact CG-CG 4.18Å; L797-I882 HydrophobicContact CB-CD1 4.33Å; L797-I882 HydrophobicContact CB-CG2 4.49Å; L797-I882 HydrophobicContact CD1-CD1 4.17Å; L797-I882 HydrophobicContact CD1-CG1 4.2Å; L797-I882 HydrophobicContact CD2-CD1 3.84Å; L797-I882 HydrophobicContact CG-CD1 4.35Å | ||
| 798 | G | 80.8 | Confident | 91.9 | Very high | 45 Ų | 45 | 50.3 Ų | 50.3 | 46% | 0.464 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -76.6 | 18.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 799 | G | 89.6 | Confident | 92.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -178.1 | -160.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L797 D865 K883 | L797-G799 PolarHBondContact O-N 2.95Å; L797-G799 VanDerWaalsContact O-N 3.11Å; G799-D865 PolarHBondContact O-N 3.45Å; G799-K883 CarbonylContact C-O 3.58Å; G799-K883 WeakPolarHBondContact CA-O 3.37Å |
| 800 | R | 92.5 | Very high | 92.2 | Very high | 72 Ų | 72 | 42.6 Ų | 42.6 | 27% | 0.272 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 138.9 | 179.8 | -58.2 | -63 | -66.1 | -86.1 | 6.8 | 111 | N802 S855 M863 D865 I882 K883 | R800-N802 PolarHBondContact O-N 3.38Å; R800-S855 PolarHBondContact NH2-OG 3.41Å; R800-M863 WeakPolarHBondContact CD-O 3.48Å; R800-D865 VanDerWaalsContact CA-OD2 3.25Å; R800-D865 WeakPolarHBondContact CA-OD2 3.28Å; R800-D865 IonicContact CZ-OD1 3.93Å; R800-D865 IonicContact NE-OD1 3.78Å; R800-D865 PolarHBondContact NE-OD1 2.81Å; R800-D865 IonicContact NE-OD2 2.93Å; R800-D865 PolarHBondContact NE-OD2 3.45Å; R800-D865 IonicContact NH2-OD1 3.84Å; R800-I882 CarbonylContact O-C 3.52Å; R800-I882 WeakPolarHBondContact O-CA 3.47Å; R800-K883 HydrophobicContact CB-CG 4.21Å; R800-K883 PolarHBondContact N-O 3.44Å; R800-K883 PolarHBondContact O-N 2.82Å |
| 801 | V | 93.8 | Very high | 92.4 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 121.4 | 170.9 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | L797 A845 V853 D865 L867 V880 | L797-V801 HydrophobicContact CD1-CG2 3.4Å; V801-A845 HydrophobicContact CB-CB 4.47Å; V801-A845 HydrophobicContact CG1-CB 3.47Å; V801-A845 VanDerWaalsContact CG1-CB 3.47Å; V801-V853 HydrophobicContact CB-CG1 4.47Å; V801-V853 HydrophobicContact CB-CG2 4.46Å; V801-V853 HydrophobicContact CG2-CG1 4.02Å; V801-V853 HydrophobicContact CG2-CG2 4.11Å; V801-D865 HydrophobicContact CG2-CB 4.01Å; V801-D865 PolarHBondContact N-OD2 2.71Å; V801-L867 HydrophobicContact CG2-CD2 3.75Å; V801-V880 HydrophobicContact CG1-CB 4.44Å |
| 802 | N | 91.9 | Very high | 92.5 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 21% | 0.209 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -48.3 | 176.7 | -165.1 | 37 | 0 | 0 | 0 | 111.2 | R800 S881 K883 Y923 L926 | R800-N802 PolarHBondContact O-N 3.38Å; N802-S881 PolarHBondContact N-O 2.98Å; N802-K883 HydrophobicContact CB-CB 4.11Å; N802-K883 HydrophobicContact CB-CD 3.98Å; N802-K883 HydrophobicContact CB-CG 3.89Å; N802-K883 WeakPolarHBondContact OD1-CD 3.42Å; N802-K883 WeakPolarHBondContact OD1-CE 3.49Å; N802-K883 PolarHBondContact OD1-NZ 3.02Å; N802-Y923 WeakPolarHBondContact ND2-CE2 3.42Å; N802-Y923 PolarHBondContact ND2-OH 3.38Å; N802-L926 WeakPolarHBondContact ND2-CD1 3.46Å |
| 803 | R | 93.4 | Very high | 92.3 | Very high | 62 Ų | 62 | 40.9 Ų | 40.9 | 23% | 0.234 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 143.4 | -174.6 | -160 | 71.7 | 173.6 | -179.9 | -0.7 | 110.8 | L805 N842 V843 V880 S881 Y923 | R803-L805 HydrophobicContact CB-CD2 4.31Å; R803-L805 HydrophobicContact CG-CD2 4.41Å; R803-L805 PolarHBondContact O-N 2.94Å; R803-N842 VanDerWaalsContact CZ-O 3.32Å; R803-N842 PolarHBondContact NE-O 3.24Å; R803-N842 PolarHBondContact NH2-O 2.92Å; R803-V843 WeakPolarHBondContact CD-O 3.43Å; R803-V843 PolarHBondContact NE-O 3.39Å; R803-V880 WeakPolarHBondContact O-CA 3.32Å; R803-S881 PolarHBondContact N-O 3.32Å; R803-S881 PolarHBondContact O-N 2.94Å; R803-Y923 HydrophobicContact CB-CD2 4.06Å; R803-Y923 HydrophobicContact CB-CE2 4.01Å; R803-Y923 HydrophobicContact CG-CD2 4.1Å |
| 804 | L | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 104.1 | 163.1 | 178 | 61.2 | 0 | 0 | 0 | 107.7 | C806 E807 L840 N842 V843 A845 F851 V878 V880 | L804-C806 WeakPolarHBondContact CD1-O 3.43Å; L804-E807 HydrophobicContact CD1-CB 4.12Å; L804-E807 HydrophobicContact CD2-CB 3.89Å; L804-E807 HydrophobicContact CG-CB 4.33Å; L804-L840 HydrophobicContact CD2-CB 4.38Å; L804-L840 HydrophobicContact CD2-CD1 4.33Å; L804-N842 CarbonylContact O-C 3.19Å; L804-N842 VanDerWaalsContact O-CA 3.26Å; L804-N842 WeakPolarHBondContact O-CA 3.39Å; L804-N842 PolarHBondContact O-N 3.42Å; L804-V843 HydrophobicContact CB-CG2 4.15Å; L804-V843 WeakPolarHBondContact CB-O 3.36Å; L804-V843 HydrophobicContact CD2-CG2 3.77Å; L804-V843 HydrophobicContact CG-CG2 4.22Å; L804-V843 PolarHBondContact N-O 3.2Å; L804-V843 PolarHBondContact O-N 3.18Å; L804-A845 HydrophobicContact CB-CB 4.49Å; L804-F851 HydrophobicContact CD1-CE1 4.11Å; L804-F851 HydrophobicContact CD1-CZ 4.21Å; L804-V878 HydrophobicContact CD1-CG1 4.17Å; L804-V880 HydrophobicContact CD1-CG1 3.86Å |
| 805 | L | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -46.3 | -178.7 | -63.1 | -177.2 | 0 | 0 | 0 | 110.2 | L737 W740 V772 R803 Q841 N842 V879 M916 Y923 | L737-L805 HydrophobicContact CD1-CD1 4.26Å; W740-L805 HydrophobicContact CZ3-CD1 4.38Å; V772-L805 HydrophobicContact CG1-CD1 3.8Å; V772-L805 HydrophobicContact CG2-CD1 4.22Å; R803-L805 HydrophobicContact CB-CD2 4.31Å; R803-L805 HydrophobicContact CG-CD2 4.41Å; R803-L805 PolarHBondContact O-N 2.94Å; L805-Q841 WeakPolarHBondContact O-CA 3.28Å; L805-N842 PolarHBondContact O-N 2.83Å; L805-N842 PolarHBondContact O-OD1 3.16Å; L805-V879 HydrophobicContact CB-CB 4.44Å; L805-V879 HydrophobicContact CB-CG1 4.09Å; L805-V879 HydrophobicContact CD1-CG1 4.11Å; L805-V879 PolarHBondContact N-O 3.43Å; L805-M916 HydrophobicContact CB-SD 4.49Å; L805-M916 HydrophobicContact CD1-SD 4.15Å; L805-M916 HydrophobicContact CD2-SD 4.31Å; L805-Y923 HydrophobicContact CD2-CD1 3.63Å; L805-Y923 HydrophobicContact CD2-CD2 4.35Å; L805-Y923 HydrophobicContact CD2-CE1 4.2Å; L805-Y923 HydrophobicContact CD2-CG 3.72Å |
| 806 | C | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 146.9 | 167 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | I733 L804 L840 V878 V879 | I733-C806 HydrophobicContact CG2-CB 3.96Å; L804-C806 WeakPolarHBondContact CD1-O 3.43Å; C806-L840 CarbonylContact C-O 3.59Å; C806-L840 VanDerWaalsContact CA-O 3.27Å; C806-L840 WeakPolarHBondContact CA-O 3.13Å; C806-V878 CarbonylContact O-C 3.5Å; C806-V879 PolarHBondContact N-O 3.42Å; C806-V879 VanDerWaalsContact N-O 3.17Å; C806-V879 PolarHBondContact O-N 2.96Å; C806-V879 VanDerWaalsContact SG-CB 3.56Å; C806-V879 WeakPolarHBondContact SG-CG2 3.01Å |
| 807 | E | 97.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 126 | 165.8 | 170.2 | -177.1 | 111.9 | 0 | 0 | 107 | L804 I839 L840 S848 K849 T850 V877 V878 | L804-E807 HydrophobicContact CD1-CB 4.12Å; L804-E807 HydrophobicContact CD2-CB 3.89Å; L804-E807 HydrophobicContact CG-CB 4.33Å; E807-I839 CarbonylContact O-C 3.58Å; E807-I839 VanDerWaalsContact O-CA 3.29Å; E807-I839 WeakPolarHBondContact O-CA 3.49Å; E807-L840 HydrophobicContact CB-CB 4.22Å; E807-L840 PolarHBondContact N-O 3.18Å; E807-L840 PolarHBondContact O-N 3.21Å; E807-L840 WeakPolarHBondContact OE1-CD1 3.36Å; E807-S848 WeakPolarHBondContact OE2-CA 3.43Å; E807-S848 WeakPolarHBondContact OE2-CB 3.24Å; E807-S848 PolarHBondContact OE2-OG 3.42Å; E807-K849 WeakPolarHBondContact OE1-CB 3.36Å; E807-K849 PolarHBondContact OE1-N 3.39Å; E807-K849 VanDerWaalsContact OE1-N 3.11Å; E807-K849 PolarHBondContact OE2-N 2.89Å; E807-T850 HydrophobicContact CG-CG2 3.73Å; E807-T850 WeakPolarHBondContact OE2-CG2 3.41Å; E807-T850 PolarHBondContact OE2-OG1 3.1Å; E807-V877 WeakPolarHBondContact CA-O 3.46Å; E807-V878 HydrophobicContact CB-CG2 4.3Å; E807-V878 HydrophobicContact CG-CG2 4.05Å |
| 808 | I | 97.2 | Very high | 91 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 107.6 | -175.6 | -49 | 179.2 | 0 | 0 | 0 | 108.1 | L678 P730 Y837 S838 I839 S876 V877 | L678-I808 HydrophobicContact CD1-CD1 4.36Å; L678-I808 HydrophobicContact CD1-CG2 4.49Å; L678-I808 HydrophobicContact CD2-CB 3.91Å; L678-I808 HydrophobicContact CD2-CG2 3.36Å; P730-I808 HydrophobicContact CB-CD1 3.92Å; P730-I808 HydrophobicContact CB-CG2 4.22Å; P730-I808 HydrophobicContact CG-CG2 4.12Å; I808-Y837 HydrophobicContact CG2-CD1 3.88Å; I808-Y837 HydrophobicContact CG2-CG 4.4Å; I808-S838 WeakPolarHBondContact CA-O 3.26Å; I808-I839 HydrophobicContact CG1-CG1 4.37Å; I808-I839 HydrophobicContact CG2-CG1 4.09Å; I808-S876 WeakPolarHBondContact O-CA 3.35Å; I808-V877 HydrophobicContact CB-CB 4.43Å; I808-V877 PolarHBondContact N-O 3.08Å; I808-V877 PolarHBondContact O-N 3.27Å |
| 809 | L | 95.7 | Very high | 91.2 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.6 | 177.1 | -74.9 | -179.5 | 0 | 0 | 0 | 110.6 | Y837 S838 T850 P873 S876 | L809-Y837 WeakPolarHBondContact O-CA 3.21Å; L809-S838 PolarHBondContact N-O 2.83Å; L809-S838 PolarHBondContact O-N 2.78Å; L809-T850 HydrophobicContact CD1-CG2 3.67Å; L809-T850 HydrophobicContact CD2-CG2 3.42Å; L809-T850 VanDerWaalsContact CD2-CG2 3.42Å; L809-T850 HydrophobicContact CG-CG2 3.63Å; L809-P873 HydrophobicContact CD2-CG 4.49Å; L809-S876 VanDerWaalsContact CD2-OG 3.24Å; L809-S876 WeakPolarHBondContact CD2-OG 3.44Å |
| 810 | S | 93.1 | Very high | 91 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 127.8 | 176.7 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | Y837 G875 | S810-Y837 VanDerWaalsContact OG-CE1 3.23Å; S810-Y837 WeakPolarHBondContact OG-CE1 3.35Å; S810-G875 WeakPolarHBondContact CB-O 3.44Å; S810-G875 PolarHBondContact OG-O 3.16Å |
| 811 | T | 91.4 | Very high | 90.5 | Very high | 64 Ų | 64 | 43.9 Ų | 43.9 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.5 | 172.8 | 55.3 | 0 | 0 | 0 | 0 | 110 | N836 | T811-N836 PolarHBondContact N-O 3.04Å; T811-N836 PolarHBondContact O-N 3.39Å; T811-N836 WeakPolarHBondContact OG1-CB 3.42Å; T811-N836 PolarHBondContact OG1-O 3.18Å |
| 812 | F | 91.4 | Very high | 90.3 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 138 | 177.2 | 173.3 | -92.1 | 0 | 0 | 0 | 110.5 | F675 P785 G814 D815 Y816 P818 C834 M835 | F675-F812 HydrophobicContact CE1-CB 4.21Å; F675-F812 HydrophobicContact CZ-CB 3.63Å; F675-F812 HydrophobicContact CZ-CG 4.49Å; P785-F812 HydrophobicContact CB-CD1 3.82Å; P785-F812 HydrophobicContact CB-CE1 4.03Å; P785-F812 WeakPolarHBondContact O-CB 3.42Å; F812-G814 WeakPolarHBondContact CE1-O 3.31Å; F812-D815 WeakPolarHBondContact CZ-O 3.5Å; F812-Y816 HydrophobicContact CD1-CD2 4.07Å; F812-Y816 AromaticContact CE1-CD2 3.67Å; F812-Y816 HydrophobicContact CE1-CD2 3.67Å; F812-Y816 HydrophobicContact CE1-CG 4.41Å; F812-Y816 HydrophobicContact CE2-CD2 4.2Å; F812-Y816 HydrophobicContact CG-CD2 4.5Å; F812-Y816 AromaticContact CZ-CD2 3.76Å; F812-Y816 HydrophobicContact CZ-CD2 3.76Å; F812-P818 HydrophobicContact CE2-CB 3.96Å; F812-C834 CarbonylContact C-O 3.54Å; F812-C834 WeakPolarHBondContact CA-O 3.33Å; F812-C834 HydrophobicContact CD2-CB 3.98Å; F812-C834 HydrophobicContact CE2-CB 3.57Å; F812-C834 WeakPolarHBondContact CE2-SG 3.23Å; F812-C834 HydrophobicContact CZ-CB 4.3Å; F812-M835 HydrophobicContact CB-SD 4.01Å; F812-M835 HydrophobicContact CD2-SD 3.95Å; F812-M835 HydrophobicContact CG-SD 4.5Å |
| 813 | K | 88.1 | Confident | 90.3 | Very high | 137 Ų | 137 | 51.3 Ų | 51.3 | 60% | 0.596 | 25% | 0.254 | S | S | * | . | trans | -139.6 | 111 | 175.3 | -64.1 | -172.3 | -173.2 | 172.9 | 0 | 108.9 | C834 N836 | K813-C834 PolarHBondContact N-O 3.12Å; K813-C834 VanDerWaalsContact O-CA 3.23Å; K813-C834 WeakPolarHBondContact O-CA 3.42Å; K813-C834 VanDerWaalsContact O-CB 3.25Å; K813-C834 WeakPolarHBondContact O-CB 3.49Å; K813-N836 WeakPolarHBondContact CD-ND2 3.21Å | ||
| 814 | G | 86.3 | Confident | 90.2 | Very high | 44 Ų | 44 | 53.9 Ų | 53.9 | 45% | 0.454 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 152.5 | -169.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F812 | F812-G814 WeakPolarHBondContact CE1-O 3.31Š|
| 815 | D | 85 | Confident | 90.1 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 58% | 0.583 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -79.3 | 132 | 174.8 | -75.3 | -26.4 | 0 | 0 | 0 | 111.3 | F812 P817 D821 | F812-D815 WeakPolarHBondContact CZ-O 3.5Å; D815-P817 CarbonylContact O-C 3.58Å; D815-D821 HydrophobicContact CB-CB 4.33Å |
| 816 | Y | 86.2 | Confident | 90.1 | Very high | 52 Ų | 52 | 60.1 Ų | 60.1 | 20% | 0.204 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -102.9 | 140.1 | -177.4 | -156.8 | -92.5 | 0 | 0 | 0 | 112.6 | F675 D782 G784 P785 F812 | F675-Y816 HydrophobicContact CE2-CE2 4.47Å; D782-Y816 PolarHBondContact OD1-OH 3.38Å; D782-Y816 VanDerWaalsContact OD2-CE1 3.29Å; D782-Y816 WeakPolarHBondContact OD2-CE1 3.45Å; D782-Y816 VanDerWaalsContact OD2-CZ 3.32Å; D782-Y816 PolarHBondContact OD2-OH 2.97Å; G784-Y816 VanDerWaalsContact CA-OH 3.3Å; G784-Y816 WeakPolarHBondContact CA-OH 3.15Å; G784-Y816 PolarHBondContact N-OH 3.5Å; G784-Y816 PolarHBondContact O-OH 2.65Å; P785-Y816 HydrophobicContact CB-CD2 3.53Å; P785-Y816 HydrophobicContact CB-CE2 4.14Å; P785-Y816 HydrophobicContact CB-CG 3.71Å; P785-Y816 HydrophobicContact CG-CD1 4.41Å; P785-Y816 HydrophobicContact CG-CD2 4.28Å; P785-Y816 HydrophobicContact CG-CG 4.02Å; F812-Y816 HydrophobicContact CD1-CD2 4.07Å; F812-Y816 AromaticContact CE1-CD2 3.67Å; F812-Y816 HydrophobicContact CE1-CD2 3.67Å; F812-Y816 HydrophobicContact CE1-CG 4.41Å; F812-Y816 HydrophobicContact CE2-CD2 4.2Å; F812-Y816 HydrophobicContact CG-CD2 4.5Å; F812-Y816 AromaticContact CZ-CD2 3.76Å; F812-Y816 HydrophobicContact CZ-CD2 3.76Å |
| 817 | P | 87.1 | Confident | 90 | Very high | 46 Ų | 46 | 66.1 Ų | 66.1 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | S | Bend | cis | -71.8 | 155.7 | -2.3 | 35.2 | -40 | 0 | 0 | 0 | 112.1 | D815 Q819 K820 | D815-P817 CarbonylContact O-C 3.58Å; P817-Q819 PolarHBondContact O-N 3.21Å; P817-K820 HydrophobicContact CG-CG 4.45Å; P817-K820 WeakPolarHBondContact O-CB 3.37Å; P817-K820 PolarHBondContact O-N 3.08Å |
| 818 | P | 85.6 | Confident | 89.9 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.013 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -52.2 | -28 | -170.3 | 15.6 | -31.1 | 0 | 0 | 0 | 115.1 | L669 V674 F812 K820 D821 F822 L832 | L669-P818 HydrophobicContact CD1-CG 4.02Å; L669-P818 HydrophobicContact CD2-CG 4.09Å; V674-P818 HydrophobicContact CB-CG 3.99Å; V674-P818 HydrophobicContact CG1-CG 3.97Å; F812-P818 HydrophobicContact CE2-CB 3.96Å; P818-K820 PolarHBondContact O-N 2.8Å; P818-D821 PolarHBondContact O-N 3.25Å; P818-F822 PolarHBondContact O-N 3.05Å; P818-L832 HydrophobicContact CB-CD1 3.78Å; P818-L832 HydrophobicContact CB-CD2 4.1Å; P818-L832 HydrophobicContact CG-CD1 4.47Å; P818-L832 WeakPolarHBondContact O-CD2 3.43Å |
| 819 | Q | 85 | Confident | 89.8 | Confident | 83 Ų | 83 | 68.9 Ų | 68.9 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -60.8 | -26.2 | 177 | -59.1 | 88.9 | -23.9 | 0 | 0 | 112.7 | L669 P702 P817 | L669-Q819 HydrophobicContact CD2-CG 3.81Å; L669-Q819 HydrophobicContact CG-CG 4.45Å; P702-Q819 HydrophobicContact CB-CG 4.47Å; P817-Q819 PolarHBondContact O-N 3.21Å |
| 820 | K | 83.9 | Confident | 89.8 | Confident | 156 Ų | 156 | 69.2 Ų | 69.2 | 68% | 0.678 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -70.3 | -33.5 | 177.3 | -72.1 | -174.3 | 179.8 | 169.1 | 0 | 113 | P817 P818 F822 | P817-K820 HydrophobicContact CG-CG 4.45Å; P817-K820 WeakPolarHBondContact O-CB 3.37Å; P817-K820 PolarHBondContact O-N 3.08Å; P818-K820 PolarHBondContact O-N 2.8Å; K820-F822 VanDerWaalsContact C-N 3.34Å |
| 821 | D | 81.8 | Confident | 89.8 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.1 | 179.9 | -164.6 | 29.4 | 0 | 0 | 0 | 112 | D815 P818 K823 | D815-D821 HydrophobicContact CB-CB 4.33Å; P818-D821 PolarHBondContact O-N 3.25Å; D821-K823 PolarHBondContact O-N 3.2Å |
| 822 | F | 90.5 | Very high | 89.8 | Confident | 35 Ų | 35 | 66.3 Ų | 66.3 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | trans | -73.8 | 119.2 | -177.9 | -176.6 | -113.5 | 0 | 0 | 0 | 113.1 | P702 H703 P818 K820 K824 N830 L832 | P702-F822 HydrophobicContact CG-CB 4.07Å; P702-F822 HydrophobicContact CG-CD1 3.46Å; P702-F822 VanDerWaalsContact CG-CD1 3.46Å; P702-F822 HydrophobicContact CG-CD2 3.74Å; P702-F822 HydrophobicContact CG-CE1 3.71Å; P702-F822 HydrophobicContact CG-CE2 3.99Å; P702-F822 HydrophobicContact CG-CG 3.47Å; P702-F822 VanDerWaalsContact CG-CG 3.47Å; P702-F822 HydrophobicContact CG-CZ 3.97Å; H703-F822 AromaticContact CE1-CE1 3.76Å; H703-F822 AromaticContact CE1-CZ 3.88Å; H703-F822 AromaticContact ND1-CE1 3.52Å; H703-F822 AromaticContact ND1-CZ 3.98Å; P818-F822 PolarHBondContact O-N 3.05Å; K820-F822 VanDerWaalsContact C-N 3.34Å; F822-K824 HydrophobicContact CD1-CB 4.49Å; F822-K824 HydrophobicContact CE1-CB 3.78Å; F822-K824 HydrophobicContact CE1-CG 4.17Å; F822-K824 HydrophobicContact CZ-CB 4.32Å; F822-N830 VanDerWaalsContact CE2-O 3.3Å; F822-N830 WeakPolarHBondContact CE2-O 3.42Å; F822-N830 VanDerWaalsContact CZ-O 3.3Å; F822-N830 WeakPolarHBondContact CZ-O 3.46Å; F822-L832 HydrophobicContact CB-CD2 3.78Å; F822-L832 HydrophobicContact CD2-CD2 4.06Å; F822-L832 HydrophobicContact CG-CD2 4.26Å | ||
| 823 | K | 90.9 | Very high | 89.7 | Confident | 181 Ų | 181 | 71 Ų | 71 | 79% | 0.787 | 35% | 0.353 | S | S | * | . | trans | -103.5 | 108.5 | 167.6 | -66.5 | 179.7 | -176.2 | 172.9 | 0 | 110.1 | D821 N825 N830 | D821-K823 PolarHBondContact O-N 3.2Å; K823-N825 PolarHBondContact O-N 3.1Å; K823-N830 PolarHBondContact O-ND2 2.93Å | ||
| 824 | K | 92 | Very high | 89.7 | Confident | 115 Ų | 115 | 64.6 Ų | 64.6 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | trans | -62.6 | 115.3 | 176.8 | -166.4 | 174 | -175.3 | 171.6 | 0 | 109.8 | E710 R712 F822 | E710-K824 IonicContact OE2-NZ 2.68Å; E710-K824 PolarHBondContact OE2-NZ 2.87Å; R712-K824 VanDerWaalsContact NE-CE 3.26Å; F822-K824 HydrophobicContact CD1-CB 4.49Å; F822-K824 HydrophobicContact CE1-CB 3.78Å; F822-K824 HydrophobicContact CE1-CG 4.17Å; F822-K824 HydrophobicContact CZ-CB 4.32Å | ||
| 825 | N | 94.3 | Very high | 89.9 | Confident | 31 Ų | 31 | 63 Ų | 63 | 17% | 0.166 | 31% | 0.306 | C | S | . | . | trans | -69.3 | 136.3 | 174.1 | -176.6 | -73.9 | 0 | 0 | 0 | 109.3 | R712 K823 Q827 Y828 N830 | R712-N825 WeakPolarHBondContact CD-O 3.1Å; R712-N825 PolarHBondContact NH1-O 2.74Å; K823-N825 PolarHBondContact O-N 3.1Å; N825-Q827 PolarHBondContact OD1-N 2.9Å; N825-Q827 PolarHBondContact OD1-OE1 2.56Å; N825-Y828 HydrophobicContact CB-CD2 4.39Å; N825-Y828 HydrophobicContact CB-CE1 4.38Å; N825-Y828 HydrophobicContact CB-CE2 4.23Å; N825-Y828 WeakPolarHBondContact ND2-CE1 3.32Å; N825-Y828 VanDerWaalsContact OD1-CD1 3.24Å; N825-Y828 WeakPolarHBondContact OD1-CD1 3.42Å; N825-Y828 WeakPolarHBondContact OD1-CE1 3.42Å; N825-Y828 PolarHBondContact OD1-N 2.86Å; N825-N830 HydrophobicContact CB-CB 4.32Å; N825-N830 WeakPolarHBondContact CB-OD1 3.33Å; N825-N830 PolarHBondContact N-OD1 2.89Å | ||
| 826 | P | 94.2 | Very high | 90.3 | Very high | 100 Ų | 100 | 61 Ų | 61 | 65% | 0.649 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -79.5 | -18 | -175.7 | 24.9 | -26.7 | 0 | 0 | 0 | 114.7 | ||
| 827 | Q | 92.7 | Very high | 90.6 | Very high | 127 Ų | 127 | 60.4 Ų | 60.4 | 59% | 0.593 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -101.1 | -34.5 | -178.2 | -65.4 | 84.2 | 19 | 0 | 0 | 113.7 | F713 N825 | F713-Q827 PolarHBondContact N-O 3.31Å; N825-Q827 PolarHBondContact OD1-N 2.9Å; N825-Q827 PolarHBondContact OD1-OE1 2.56Å |
| 828 | Y | 94.9 | Very high | 91 | Very high | 57 Ų | 57 | 60.3 Ų | 60.3 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 158.1 | -175.8 | 63.5 | -95.5 | 0 | 0 | 0 | 112.8 | R712 F713 S715 Q720 N825 N830 | R712-Y828 PolarHBondContact NH1-O 2.77Å; R712-Y828 VanDerWaalsContact NH1-O 3.13Å; F713-Y828 CarbonylContact O-C 3.26Å; F713-Y828 WeakPolarHBondContact O-CA 3.33Å; F713-Y828 WeakPolarHBondContact O-CB 3.21Å; S715-Y828 WeakPolarHBondContact OG-CD2 3.13Å; Q720-Y828 HydrophobicContact CB-CE2 4.33Å; Q720-Y828 HydrophobicContact CG-CE1 4.32Å; N825-Y828 HydrophobicContact CB-CD2 4.39Å; N825-Y828 HydrophobicContact CB-CE1 4.38Å; N825-Y828 HydrophobicContact CB-CE2 4.23Å; N825-Y828 WeakPolarHBondContact ND2-CE1 3.32Å; N825-Y828 VanDerWaalsContact OD1-CD1 3.24Å; N825-Y828 WeakPolarHBondContact OD1-CD1 3.42Å; N825-Y828 WeakPolarHBondContact OD1-CE1 3.42Å; N825-Y828 PolarHBondContact OD1-N 2.86Å; Y828-N830 HydrophobicContact CD2-CB 4.16Å; Y828-N830 HydrophobicContact CE2-CB 3.81Å; Y828-N830 PolarHBondContact O-N 2.98Å |
| 829 | I | 96 | Very high | 91.4 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 106.6 | 175.8 | -57.8 | 172 | 0 | 0 | 0 | 108 | N161 V701 I705 E710 R712 F713 Y714 S715 | N161-I829 HydrophobicContact CB-CD1 4.49Å; V701-I829 HydrophobicContact CG1-CG2 4.3Å; V701-I829 HydrophobicContact CG2-CG2 3.65Å; I705-I829 HydrophobicContact CD1-CD1 4.5Å; I705-I829 HydrophobicContact CD1-CG2 4.05Å; I705-I829 HydrophobicContact CG2-CD1 4.13Å; E710-I829 HydrophobicContact CG-CD1 3.84Å; E710-I829 HydrophobicContact CG-CG1 4.25Å; R712-I829 HydrophobicContact CB-CG1 3.94Å; F713-I829 PolarHBondContact O-N 3.29Å; Y714-I829 HydrophobicContact CD1-CB 4.49Å; Y714-I829 HydrophobicContact CD1-CD1 3.8Å; Y714-I829 HydrophobicContact CE1-CD1 3.8Å; S715-I829 PolarHBondContact OG-O 2.88Å |
| 830 | N | 94.9 | Very high | 91.8 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 13% | 0.128 | 29% | 0.29 | C | S | . | . | trans | -104.6 | 151.5 | 170.1 | 66.3 | -49.4 | 0 | 0 | 0 | 110.3 | F822 K823 N825 Y828 | F822-N830 VanDerWaalsContact CE2-O 3.3Å; F822-N830 WeakPolarHBondContact CE2-O 3.42Å; F822-N830 VanDerWaalsContact CZ-O 3.3Å; F822-N830 WeakPolarHBondContact CZ-O 3.46Å; K823-N830 PolarHBondContact O-ND2 2.93Å; N825-N830 HydrophobicContact CB-CB 4.32Å; N825-N830 WeakPolarHBondContact CB-OD1 3.33Å; N825-N830 PolarHBondContact N-OD1 2.89Å; Y828-N830 HydrophobicContact CD2-CB 4.16Å; Y828-N830 HydrophobicContact CE2-CB 3.81Å; Y828-N830 PolarHBondContact O-N 2.98Å | ||
| 831 | G | 93.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | trans | -111.3 | -169.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | E699 | E699-G831 CarbonylContact O-C 3.49Å; E699-G831 VanDerWaalsContact O-CA 3.24Å; E699-G831 WeakPolarHBondContact O-CA 3.26Å | ||
| 832 | L | 92.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | trans | -70.6 | 137.5 | -177.8 | -69.1 | 169.4 | 0 | 0 | 0 | 112 | L669 V674 E699 L700 P702 P818 F822 | L669-L832 HydrophobicContact CD2-CD1 3.98Å; V674-L832 HydrophobicContact CG2-CD1 3.79Å; E699-L832 PolarHBondContact O-N 2.87Å; L700-L832 HydrophobicContact CB-CB 4.1Å; L700-L832 HydrophobicContact CB-CD1 4.45Å; L700-L832 WeakPolarHBondContact O-CG 3.3Å; L700-L832 PolarHBondContact O-N 3.32Å; L700-L832 VanDerWaalsContact O-N 3.08Å; P702-L832 HydrophobicContact CB-CD1 4.05Å; P702-L832 HydrophobicContact CB-CD2 4.25Å; P702-L832 HydrophobicContact CB-CG 4.06Å; P702-L832 HydrophobicContact CG-CD2 4.21Å; P702-L832 HydrophobicContact CG-CG 4.18Å; P818-L832 HydrophobicContact CB-CD1 3.78Å; P818-L832 HydrophobicContact CB-CD2 4.1Å; P818-L832 HydrophobicContact CG-CD1 4.47Å; P818-L832 WeakPolarHBondContact O-CD2 3.43Å; F822-L832 HydrophobicContact CB-CD2 3.78Å; F822-L832 HydrophobicContact CD2-CD2 4.06Å; F822-L832 HydrophobicContact CG-CD2 4.26Å | ||
| 833 | M | 88.8 | Confident | 92.8 | Very high | 116 Ų | 116 | 51 Ų | 51 | 57% | 0.571 | 25% | 0.254 | S | S | * | . | trans | -103.5 | -2.7 | 174.1 | -60.3 | -64.4 | 176.2 | 0 | 0 | 112.8 | I725 M835 | I725-M833 HydrophobicContact CD1-CE 3.84Å; I725-M833 HydrophobicContact CG1-CE 3.91Å; I725-M833 HydrophobicContact CG1-SD 3.95Å; I725-M833 HydrophobicContact CG2-CE 4.07Å; I725-M833 HydrophobicContact CG2-SD 4.28Å; M833-M835 VanDerWaalsContact C-N 3.28Å; M833-M835 PolarHBondContact O-N 3.45Å | ||
| 834 | C | 88.3 | Confident | 92.9 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -76.1 | -13.8 | -174.1 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | F812 K813 | F812-C834 CarbonylContact C-O 3.54Å; F812-C834 WeakPolarHBondContact CA-O 3.33Å; F812-C834 HydrophobicContact CD2-CB 3.98Å; F812-C834 HydrophobicContact CE2-CB 3.57Å; F812-C834 WeakPolarHBondContact CE2-SG 3.23Å; F812-C834 HydrophobicContact CZ-CB 4.3Å; K813-C834 PolarHBondContact N-O 3.12Å; K813-C834 VanDerWaalsContact O-CA 3.23Å; K813-C834 WeakPolarHBondContact O-CA 3.42Å; K813-C834 VanDerWaalsContact O-CB 3.25Å; K813-C834 WeakPolarHBondContact O-CB 3.49Å |
| 835 | M | 91.4 | Very high | 93 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 4% | 0.044 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.9 | -180 | -66.3 | -59.7 | -72.1 | 0 | 0 | 111 | V674 F675 L700 F812 M833 Y837 | V674-M835 HydrophobicContact CG1-SD 3.94Å; V674-M835 HydrophobicContact CG2-CG 3.69Å; V674-M835 HydrophobicContact CG2-SD 4.02Å; F675-M835 HydrophobicContact CD1-CE 3.71Å; F675-M835 HydrophobicContact CE1-CE 3.71Å; F675-M835 HydrophobicContact CE1-SD 4.28Å; F675-M835 HydrophobicContact CG-CE 4.48Å; F675-M835 HydrophobicContact CZ-CE 4.49Å; L700-M835 HydrophobicContact CD1-CB 3.72Å; L700-M835 HydrophobicContact CD1-CG 3.68Å; F812-M835 HydrophobicContact CB-SD 4.01Å; F812-M835 HydrophobicContact CD2-SD 3.95Å; F812-M835 HydrophobicContact CG-SD 4.5Å; M833-M835 VanDerWaalsContact C-N 3.28Å; M833-M835 PolarHBondContact O-N 3.45Å; M835-Y837 HydrophobicContact CB-CE2 3.89Å |
| 836 | N | 91.9 | Very high | 92.9 | Very high | 67 Ų | 67 | 44.6 Ų | 44.6 | 36% | 0.358 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 140.9 | 172.5 | -67.4 | -84.3 | 0 | 0 | 0 | 109.8 | T811 K813 | T811-N836 PolarHBondContact N-O 3.04Å; T811-N836 PolarHBondContact O-N 3.39Å; T811-N836 WeakPolarHBondContact OG1-CB 3.42Å; T811-N836 PolarHBondContact OG1-O 3.18Å; K813-N836 WeakPolarHBondContact CD-ND2 3.21Å |
| 837 | Y | 93.7 | Very high | 93 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 116.9 | -177.9 | -59.3 | -83.5 | 0 | 0 | 0 | 110.5 | L678 L700 G726 I727 P730 I808 L809 S810 M835 | L678-Y837 HydrophobicContact CD2-CD1 4.09Å; L678-Y837 HydrophobicContact CD2-CE1 4.02Å; L700-Y837 WeakPolarHBondContact CD1-OH 3.38Å; G726-Y837 WeakPolarHBondContact O-CD2 3.18Å; G726-Y837 WeakPolarHBondContact O-CE2 3.31Å; I727-Y837 HydrophobicContact CG2-CE1 3.88Å; I727-Y837 HydrophobicContact CG2-CE2 3.78Å; I727-Y837 WeakPolarHBondContact CG2-OH 3.36Å; P730-Y837 HydrophobicContact CG-CD1 4.1Å; P730-Y837 HydrophobicContact CG-CD2 4.03Å; P730-Y837 HydrophobicContact CG-CG 3.75Å; I808-Y837 HydrophobicContact CG2-CD1 3.88Å; I808-Y837 HydrophobicContact CG2-CG 4.4Å; L809-Y837 WeakPolarHBondContact O-CA 3.21Å; S810-Y837 VanDerWaalsContact OG-CE1 3.23Å; S810-Y837 WeakPolarHBondContact OG-CE1 3.35Å; M835-Y837 HydrophobicContact CB-CE2 3.89Å |
| 838 | S | 94.6 | Very high | 93.1 | Very high | 45 Ų | 45 | 39.1 Ų | 39.1 | 32% | 0.315 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 119.5 | 166.1 | 172.8 | 0 | 0 | 0 | 0 | 108 | I808 L809 | I808-S838 WeakPolarHBondContact CA-O 3.26Å; L809-S838 PolarHBondContact N-O 2.83Å; L809-S838 PolarHBondContact O-N 2.78Å |
| 839 | I | 94.6 | Very high | 93.1 | Very high | 37 Ų | 37 | 41.3 Ų | 41.3 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.2 | -173.3 | -60.3 | 170.8 | 0 | 0 | 0 | 109.6 | K729 P730 I733 E807 I808 Q841 | K729-I839 HydrophobicContact CB-CD1 4.43Å; K729-I839 HydrophobicContact CD-CD1 3.68Å; K729-I839 HydrophobicContact CG-CD1 3.53Å; P730-I839 HydrophobicContact CG-CD1 3.9Å; I733-I839 HydrophobicContact CD1-CD1 4.46Å; I733-I839 HydrophobicContact CD1-CG2 3.7Å; E807-I839 CarbonylContact O-C 3.58Å; E807-I839 VanDerWaalsContact O-CA 3.29Å; E807-I839 WeakPolarHBondContact O-CA 3.49Å; I808-I839 HydrophobicContact CG1-CG1 4.37Å; I808-I839 HydrophobicContact CG2-CG1 4.09Å; I839-Q841 HydrophobicContact CG2-CB 4.45Å |
| 840 | L | 94.3 | Very high | 93 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 14% | 0.141 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134 | 160 | -57.2 | 175.4 | 0 | 0 | 0 | 107.5 | L804 C806 E807 V843 E847 K849 | L804-L840 HydrophobicContact CD2-CB 4.38Å; L804-L840 HydrophobicContact CD2-CD1 4.33Å; C806-L840 CarbonylContact C-O 3.59Å; C806-L840 VanDerWaalsContact CA-O 3.27Å; C806-L840 WeakPolarHBondContact CA-O 3.13Å; E807-L840 HydrophobicContact CB-CB 4.22Å; E807-L840 PolarHBondContact N-O 3.18Å; E807-L840 PolarHBondContact O-N 3.21Å; E807-L840 WeakPolarHBondContact OE1-CD1 3.36Å; L840-V843 HydrophobicContact CB-CG2 3.88Å; L840-V843 HydrophobicContact CD1-CG2 4.44Å; L840-E847 VanDerWaalsContact CD1-O 3.27Å; L840-E847 WeakPolarHBondContact CD1-O 3.32Å; L840-K849 HydrophobicContact CD1-CG 4.42Å |
| 841 | Q | 92.2 | Very high | 93.1 | Very high | 62 Ų | 62 | 40.2 Ų | 40.2 | 29% | 0.29 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 131.3 | -178.9 | -175.1 | -178.3 | 5.2 | 0 | 0 | 109.6 | I733 L805 I839 V843 | I733-Q841 HydrophobicContact CG2-CG 4.49Å; L805-Q841 WeakPolarHBondContact O-CA 3.28Å; I839-Q841 HydrophobicContact CG2-CB 4.45Å; Q841-V843 VanDerWaalsContact C-N 3.34Å; Q841-V843 PolarHBondContact O-N 3.22Å |
| 842 | N | 91.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.9 | 50.6 | -179.7 | -65.1 | -15.7 | 0 | 0 | 0 | 113.5 | R803 L804 L805 M916 N921 | R803-N842 VanDerWaalsContact CZ-O 3.32Å; R803-N842 PolarHBondContact NE-O 3.24Å; R803-N842 PolarHBondContact NH2-O 2.92Å; L804-N842 CarbonylContact O-C 3.19Å; L804-N842 VanDerWaalsContact O-CA 3.26Å; L804-N842 WeakPolarHBondContact O-CA 3.39Å; L804-N842 PolarHBondContact O-N 3.42Å; L805-N842 PolarHBondContact O-N 2.83Å; L805-N842 PolarHBondContact O-OD1 3.16Å; N842-M916 PolarHBondContact ND2-O 3.06Å; N842-M916 VanDerWaalsContact ND2-O 3.11Å; N842-N921 HydrophobicContact CB-CB 4.43Å; N842-N921 WeakPolarHBondContact CB-O 3.35Å; N842-N921 PolarHBondContact ND2-O 3.14Å; N842-N921 VanDerWaalsContact ND2-O 3.16Å |
| 843 | V | 93.1 | Very high | 93.3 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 13% | 0.127 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 162.8 | 176.8 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | R803 L804 L840 Q841 E847 | R803-V843 WeakPolarHBondContact CD-O 3.43Å; R803-V843 PolarHBondContact NE-O 3.39Å; L804-V843 HydrophobicContact CB-CG2 4.15Å; L804-V843 WeakPolarHBondContact CB-O 3.36Å; L804-V843 HydrophobicContact CD2-CG2 3.77Å; L804-V843 HydrophobicContact CG-CG2 4.22Å; L804-V843 PolarHBondContact N-O 3.2Å; L804-V843 PolarHBondContact O-N 3.18Å; L840-V843 HydrophobicContact CB-CG2 3.88Å; L840-V843 HydrophobicContact CD1-CG2 4.44Å; Q841-V843 VanDerWaalsContact C-N 3.34Å; Q841-V843 PolarHBondContact O-N 3.22Å; V843-E847 HydrophobicContact CB-CB 4.43Å; V843-E847 HydrophobicContact CG2-CB 4.14Å |
| 844 | P | 92.9 | Very high | 93.6 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 29% | 0.292 | 25% | 0.246 | S | C | . | . | trans | -55.6 | 141.2 | 165.3 | -23.1 | 34 | 0 | 0 | 0 | 111.6 | T846 E847 | P844-T846 PolarHBondContact O-N 3.18Å; P844-T846 VanDerWaalsContact O-N 3.14Å; P844-E847 WeakPolarHBondContact CD-OE1 3.29Å; P844-E847 WeakPolarHBondContact O-CB 3.1Å; P844-E847 PolarHBondContact O-N 2.71Å | ||
| 845 | A | 92.7 | Very high | 93.9 | Very high | 15 Ų | 15 | 50 Ų | 50 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -63.4 | -21.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V801 L804 E847 S848 F851 V853 | V801-A845 HydrophobicContact CB-CB 4.47Å; V801-A845 HydrophobicContact CG1-CB 3.47Å; V801-A845 VanDerWaalsContact CG1-CB 3.47Å; L804-A845 HydrophobicContact CB-CB 4.49Å; A845-E847 PolarHBondContact O-N 3.09Å; A845-S848 VanDerWaalsContact O-CB 3.23Å; A845-S848 WeakPolarHBondContact O-CB 3.43Å; A845-S848 PolarHBondContact O-N 2.93Å; A845-S848 VanDerWaalsContact O-N 3.07Å; A845-F851 HydrophobicContact CB-CE2 4.37Å; A845-F851 HydrophobicContact CB-CZ 4.44Å; A845-V853 HydrophobicContact CB-CG2 3.93Å |
| 846 | T | 93.2 | Very high | 93.9 | Very high | 131 Ų | 131 | 53 Ų | 53 | 80% | 0.804 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -63.8 | -16.9 | 172.4 | 51.6 | 0 | 0 | 0 | 0 | 113.7 | P844 S848 | P844-T846 PolarHBondContact O-N 3.18Å; P844-T846 VanDerWaalsContact O-N 3.14Å; T846-S848 VanDerWaalsContact C-N 3.35Å |
| 847 | E | 94.7 | Very high | 93.7 | Very high | 103 Ų | 103 | 52.7 Ų | 52.7 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -87.7 | -4.3 | 175.3 | -62.3 | -174.5 | -154 | 0 | 0 | 113.1 | L840 V843 P844 A845 K849 | L840-E847 VanDerWaalsContact CD1-O 3.27Å; L840-E847 WeakPolarHBondContact CD1-O 3.32Å; V843-E847 HydrophobicContact CB-CB 4.43Å; V843-E847 HydrophobicContact CG2-CB 4.14Å; P844-E847 WeakPolarHBondContact CD-OE1 3.29Å; P844-E847 WeakPolarHBondContact O-CB 3.1Å; P844-E847 PolarHBondContact O-N 2.71Å; A845-E847 PolarHBondContact O-N 3.09Å; E847-K849 PolarHBondContact O-N 3.28Å |
| 848 | S | 95.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | trans | -55.9 | 138.5 | 177.9 | 178 | 0 | 0 | 0 | 0 | 110.9 | E807 A845 T846 T850 F851 Y870 | E807-S848 WeakPolarHBondContact OE2-CA 3.43Å; E807-S848 WeakPolarHBondContact OE2-CB 3.24Å; E807-S848 PolarHBondContact OE2-OG 3.42Å; A845-S848 VanDerWaalsContact O-CB 3.23Å; A845-S848 WeakPolarHBondContact O-CB 3.43Å; A845-S848 PolarHBondContact O-N 2.93Å; A845-S848 VanDerWaalsContact O-N 3.07Å; T846-S848 VanDerWaalsContact C-N 3.35Å; S848-T850 PolarHBondContact OG-N 2.7Å; S848-T850 VanDerWaalsContact OG-N 3.14Å; S848-T850 PolarHBondContact OG-OG1 2.81Å; S848-T850 VanDerWaalsContact OG-OG1 3.07Å; S848-F851 WeakPolarHBondContact OG-CD1 3.37Å; S848-F851 VanDerWaalsContact OG-CE1 3.23Å; S848-F851 WeakPolarHBondContact OG-CE1 3.42Å; S848-F851 PolarHBondContact OG-N 2.83Å; S848-F851 PolarHBondContact OG-O 2.94Å; S848-Y870 PolarHBondContact O-OH 3.37Å | ||
| 849 | K | 94.6 | Very high | 92.4 | Very high | 104 Ų | 104 | 58.6 Ų | 58.6 | 45% | 0.452 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -102.7 | 6.6 | 174.2 | -60.2 | 176.5 | -176.2 | 173.8 | 0 | 112.2 | E807 L840 E847 Y870 N871 | E807-K849 WeakPolarHBondContact OE1-CB 3.36Å; E807-K849 PolarHBondContact OE1-N 3.39Å; E807-K849 VanDerWaalsContact OE1-N 3.11Å; E807-K849 PolarHBondContact OE2-N 2.89Å; L840-K849 HydrophobicContact CD1-CG 4.42Å; E847-K849 PolarHBondContact O-N 3.28Å; K849-Y870 WeakPolarHBondContact CA-OH 3.39Å; K849-Y870 WeakPolarHBondContact O-CE2 3.4Å; K849-Y870 PolarHBondContact O-OH 3.35Å; K849-N871 WeakPolarHBondContact O-CB 3.3Å; K849-N871 PolarHBondContact O-ND2 3.47Å |
| 850 | T | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -120.6 | -32.3 | -169.3 | 59.1 | 0 | 0 | 0 | 0 | 113 | E807 L809 S848 F869 Y870 N871 V878 | E807-T850 HydrophobicContact CG-CG2 3.73Å; E807-T850 WeakPolarHBondContact OE2-CG2 3.41Å; E807-T850 PolarHBondContact OE2-OG1 3.1Å; L809-T850 HydrophobicContact CD1-CG2 3.67Å; L809-T850 HydrophobicContact CD2-CG2 3.42Å; L809-T850 VanDerWaalsContact CD2-CG2 3.42Å; L809-T850 HydrophobicContact CG-CG2 3.63Å; S848-T850 PolarHBondContact OG-N 2.7Å; S848-T850 VanDerWaalsContact OG-N 3.14Å; S848-T850 PolarHBondContact OG-OG1 2.81Å; S848-T850 VanDerWaalsContact OG-OG1 3.07Å; T850-F869 WeakPolarHBondContact O-CA 3.31Å; T850-Y870 PolarHBondContact O-N 3.46Å; T850-N871 WeakPolarHBondContact CA-O 3.29Å; T850-N871 WeakPolarHBondContact CB-O 3.4Å; T850-N871 VanDerWaalsContact CG2-O 3.24Å; T850-N871 WeakPolarHBondContact CG2-O 3.48Å; T850-N871 PolarHBondContact O-N 2.84Å; T850-V878 WeakPolarHBondContact OG1-CG2 3.43Å |
| 851 | F | 96.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158.5 | 178.7 | 66.6 | -92.5 | 0 | 0 | 0 | 112.5 | L804 A845 S848 V853 L867 L868 F869 V878 V880 | L804-F851 HydrophobicContact CD1-CE1 4.11Å; L804-F851 HydrophobicContact CD1-CZ 4.21Å; A845-F851 HydrophobicContact CB-CE2 4.37Å; A845-F851 HydrophobicContact CB-CZ 4.44Å; S848-F851 WeakPolarHBondContact OG-CD1 3.37Å; S848-F851 VanDerWaalsContact OG-CE1 3.23Å; S848-F851 WeakPolarHBondContact OG-CE1 3.42Å; S848-F851 PolarHBondContact OG-N 2.83Å; S848-F851 PolarHBondContact OG-O 2.94Å; F851-V853 HydrophobicContact CD2-CG2 4.12Å; F851-V853 HydrophobicContact CE2-CG2 3.65Å; F851-L867 HydrophobicContact CD2-CB 4.3Å; F851-L867 HydrophobicContact CD2-CD2 3.68Å; F851-L867 HydrophobicContact CD2-CG 4.46Å; F851-L867 HydrophobicContact CE2-CD2 3.6Å; F851-L867 HydrophobicContact CG-CB 4.48Å; F851-L867 HydrophobicContact CZ-CD2 4.37Å; F851-L868 CarbonylContact C-O 3.55Å; F851-L868 WeakPolarHBondContact CA-O 3.21Å; F851-L868 WeakPolarHBondContact CB-O 3.28Å; F851-F869 HydrophobicContact CB-CD1 3.88Å; F851-F869 HydrophobicContact CB-CD2 4.15Å; F851-F869 HydrophobicContact CB-CE1 4.05Å; F851-F869 HydrophobicContact CB-CE2 4.22Å; F851-F869 HydrophobicContact CB-CG 3.97Å; F851-F869 HydrophobicContact CB-CZ 4.2Å; F851-F869 AromaticContact CD1-CE1 3.91Å; F851-F869 HydrophobicContact CD1-CE1 3.91Å; F851-F869 HydrophobicContact CD1-CZ 4.02Å; F851-F869 HydrophobicContact CG-CE1 4.36Å; F851-F869 HydrophobicContact CG-CZ 4.31Å; F851-V878 HydrophobicContact CD1-CG1 4Å; F851-V878 HydrophobicContact CD1-CG2 4.32Å; F851-V878 HydrophobicContact CE1-CG1 3.49Å; F851-V878 VanDerWaalsContact CE1-CG1 3.49Å; F851-V878 HydrophobicContact CE1-CG2 4.29Å; F851-V878 HydrophobicContact CZ-CG1 4.42Å; F851-V880 HydrophobicContact CE1-CG1 4.25Å; F851-V880 HydrophobicContact CZ-CG1 3.8Å |
| 852 | H | 95.5 | Very high | 90.6 | Very high | 106 Ų | 106 | 60 Ų | 60 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 146.3 | 165.3 | -65.3 | -47.1 | 0 | 0 | 0 | 110 | L868 Y870 | H852-L868 PolarHBondContact N-O 3.35Å; H852-L868 PolarHBondContact O-N 3.28Å; H852-Y870 AromaticContact CD2-CD1 3.57Å; H852-Y870 AromaticContact CD2-CE1 3.57Å; H852-Y870 AromaticContact CE1-CE1 3.36Å; H852-Y870 WeakPolarHBondContact CE1-CE1 3.26Å; H852-Y870 AromaticContact CE1-CZ 3.76Å; H852-Y870 AromaticContact CG-CE1 3.77Å; H852-Y870 AromaticContact ND1-CE1 3.64Å; H852-Y870 AromaticContact NE2-CD1 3.65Å; H852-Y870 AromaticContact NE2-CE1 3.33Å; H852-Y870 VanDerWaalsContact NE2-CE1 3.33Å; H852-Y870 WeakPolarHBondContact NE2-CE1 3.23Å; H852-Y870 AromaticContact NE2-CZ 3.87Å |
| 853 | V | 95.7 | Very high | 90.4 | Very high | 51 Ų | 51 | 63.8 Ų | 63.8 | 31% | 0.309 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 118.5 | 172.7 | -175.4 | 0 | 0 | 0 | 0 | 108 | V801 A845 F851 D865 S866 L867 | V801-V853 HydrophobicContact CB-CG1 4.47Å; V801-V853 HydrophobicContact CB-CG2 4.46Å; V801-V853 HydrophobicContact CG2-CG1 4.02Å; V801-V853 HydrophobicContact CG2-CG2 4.11Å; A845-V853 HydrophobicContact CB-CG2 3.93Å; F851-V853 HydrophobicContact CD2-CG2 4.12Å; F851-V853 HydrophobicContact CE2-CG2 3.65Å; V853-D865 HydrophobicContact CG1-CB 3.67Å; V853-S866 WeakPolarHBondContact CA-O 3.49Å; V853-L867 HydrophobicContact CG2-CD2 4.21Å |
| 854 | E | 94.6 | Very high | 90.3 | Very high | 106 Ų | 106 | 62.9 Ų | 62.9 | 50% | 0.495 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 115.5 | 172.4 | -69.1 | -169.2 | 161 | 0 | 0 | 109.7 | D865 S866 | E854-D865 CarbonylContact O-C 3.41Å; E854-D865 WeakPolarHBondContact O-CA 3.26Å; E854-S866 PolarHBondContact N-O 2.84Å; E854-S866 PolarHBondContact O-N 3.34Å |
| 855 | S | 93.5 | Very high | 90.4 | Very high | 67 Ų | 67 | 61 Ų | 61 | 47% | 0.469 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.9 | 173.3 | -58.4 | 0 | 0 | 0 | 0 | 110.5 | R800 V864 D865 | R800-S855 PolarHBondContact NH2-OG 3.41Å; S855-V864 CarbonylContact C-O 3.53Å; S855-V864 WeakPolarHBondContact CA-O 3.32Å; S855-D865 WeakPolarHBondContact CB-OD1 3.22Å; S855-D865 PolarHBondContact OG-OD1 2.81Å |
| 856 | Y | 91.5 | Very high | 90.5 | Very high | 73 Ų | 73 | 60.6 Ų | 60.6 | 29% | 0.286 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 159.6 | 176.1 | 69.4 | -76.1 | 0 | 0 | 0 | 110.2 | V864 S866 | Y856-V864 HydrophobicContact CD1-CG2 4.14Å; Y856-V864 HydrophobicContact CD2-CG2 4.24Å; Y856-V864 HydrophobicContact CE1-CG2 3.59Å; Y856-V864 HydrophobicContact CE2-CG2 3.74Å; Y856-V864 HydrophobicContact CG-CG2 4.42Å; Y856-V864 PolarHBondContact N-O 2.68Å; Y856-V864 PolarHBondContact O-N 2.82Å; Y856-V864 VanDerWaalsContact O-O 3.1Å; Y856-S866 WeakPolarHBondContact CE1-OG 3.2Å |
| 857 | S | 89.2 | Confident | 90.6 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 125 | 169.3 | -168.4 | 0 | 0 | 0 | 0 | 109.1 | G861 V862 M863 | S857-G861 WeakPolarHBondContact OG-CA 3.36Å; S857-V862 WeakPolarHBondContact CA-O 3.39Å; S857-M863 VanDerWaalsContact CB-CE 3.43Å |
| 858 | D | 82.6 | Confident | 90.7 | Very high | 38 Ų | 38 | 52.2 Ų | 52.2 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | trans | -67.1 | 177.7 | 166.9 | 73.8 | 5 | 0 | 0 | 0 | 111.6 | H860 G861 V862 V864 | D858-H860 PolarHBondContact O-N 2.94Å; D858-H860 WeakPolarHBondContact OD1-CA 3.27Å; D858-H860 WeakPolarHBondContact OD1-CB 3.32Å; D858-H860 PolarHBondContact OD1-N 3.32Å; D858-G861 PolarHBondContact O-N 3.08Å; D858-G861 VanDerWaalsContact O-N 3.1Å; D858-G861 PolarHBondContact OD1-N 3.2Å; D858-G861 VanDerWaalsContact OD1-N 3.11Å; D858-V862 PolarHBondContact N-O 2.83Å; D858-V862 PolarHBondContact OD1-N 3.28Å; D858-V864 HydrophobicContact CB-CG2 3.89Å | ||
| 859 | E | 78.4 | Confident | 90.7 | Very high | 172 Ų | 172 | 52.4 Ų | 52.4 | 80% | 0.804 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -11.3 | 177.9 | 61.5 | -173.3 | 171.6 | 0 | 0 | 114.4 | ||
| 860 | H | 75.1 | Confident | 90.7 | Very high | 91 Ų | 91 | 52.1 Ų | 52.1 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 5.7 | -179.4 | -59.6 | -48.1 | 0 | 0 | 0 | 113.7 | D858 V862 R1059 | D858-H860 PolarHBondContact O-N 2.94Å; D858-H860 WeakPolarHBondContact OD1-CA 3.27Å; D858-H860 WeakPolarHBondContact OD1-CB 3.32Å; D858-H860 PolarHBondContact OD1-N 3.32Å; H860-V862 VanDerWaalsContact C-N 3.31Å; H860-R1059 WeakPolarHBondContact NE2-CD 3.45Å; H860-R1059 VanDerWaalsContact NE2-CG 3.29Å; H860-R1059 WeakPolarHBondContact NE2-CG 3.4Å |
| 861 | G | 82.1 | Confident | 90.7 | Very high | 51 Ų | 51 | 55.1 Ų | 55.1 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 84.4 | 4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S857 D858 | S857-G861 WeakPolarHBondContact OG-CA 3.36Å; D858-G861 PolarHBondContact O-N 3.08Å; D858-G861 VanDerWaalsContact O-N 3.1Å; D858-G861 PolarHBondContact OD1-N 3.2Å; D858-G861 VanDerWaalsContact OD1-N 3.11Å |
| 862 | V | 84.7 | Confident | 90.7 | Very high | 14 Ų | 14 | 55.1 Ų | 55.1 | 9% | 0.085 | 29% | 0.29 | C | S | . | . | trans | -86.4 | 132 | 179.6 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | S857 D858 H860 V864 D885 Q888 | S857-V862 WeakPolarHBondContact CA-O 3.39Å; D858-V862 PolarHBondContact N-O 2.83Å; D858-V862 PolarHBondContact OD1-N 3.28Å; H860-V862 VanDerWaalsContact C-N 3.31Å; V862-V864 HydrophobicContact CG1-CG1 4.4Å; V862-V864 PolarHBondContact O-N 3.08Å; V862-D885 HydrophobicContact CG1-CB 3.73Å; V862-Q888 HydrophobicContact CG1-CG 4.09Å | ||
| 863 | M | 89 | Confident | 90.7 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 40% | 0.404 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 121.4 | 172.2 | -67.9 | -65 | 118.9 | 0 | 0 | 109 | R800 S857 | R800-M863 WeakPolarHBondContact CD-O 3.48Å; S857-M863 VanDerWaalsContact CB-CE 3.43Å |
| 864 | V | 90.4 | Very high | 90.6 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 164.4 | 175 | -66 | 0 | 0 | 0 | 0 | 109.3 | S855 Y856 D858 V862 | S855-V864 CarbonylContact C-O 3.53Å; S855-V864 WeakPolarHBondContact CA-O 3.32Å; Y856-V864 HydrophobicContact CD1-CG2 4.14Å; Y856-V864 HydrophobicContact CD2-CG2 4.24Å; Y856-V864 HydrophobicContact CE1-CG2 3.59Å; Y856-V864 HydrophobicContact CE2-CG2 3.74Å; Y856-V864 HydrophobicContact CG-CG2 4.42Å; Y856-V864 PolarHBondContact N-O 2.68Å; Y856-V864 PolarHBondContact O-N 2.82Å; Y856-V864 VanDerWaalsContact O-O 3.1Å; D858-V864 HydrophobicContact CB-CG2 3.89Å; V862-V864 HydrophobicContact CG1-CG1 4.4Å; V862-V864 PolarHBondContact O-N 3.08Å |
| 865 | D | 94.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 148.6 | -178.3 | -67.7 | -24 | 0 | 0 | 0 | 111.6 | L797 G799 R800 V801 V853 E854 S855 | L797-D865 WeakPolarHBondContact CB-O 3.04Å; L797-D865 HydrophobicContact CD1-CB 4.26Å; L797-D865 WeakPolarHBondContact CG-O 3.29Å; L797-D865 PolarHBondContact N-O 3.22Å; G799-D865 PolarHBondContact O-N 3.45Å; R800-D865 VanDerWaalsContact CA-OD2 3.25Å; R800-D865 WeakPolarHBondContact CA-OD2 3.28Å; R800-D865 IonicContact CZ-OD1 3.93Å; R800-D865 IonicContact NE-OD1 3.78Å; R800-D865 PolarHBondContact NE-OD1 2.81Å; R800-D865 IonicContact NE-OD2 2.93Å; R800-D865 PolarHBondContact NE-OD2 3.45Å; R800-D865 IonicContact NH2-OD1 3.84Å; V801-D865 HydrophobicContact CG2-CB 4.01Å; V801-D865 PolarHBondContact N-OD2 2.71Å; V853-D865 HydrophobicContact CG1-CB 3.67Å; E854-D865 CarbonylContact O-C 3.41Å; E854-D865 WeakPolarHBondContact O-CA 3.26Å; S855-D865 WeakPolarHBondContact CB-OD1 3.22Å; S855-D865 PolarHBondContact OG-OD1 2.81Å |
| 866 | S | 94.9 | Very high | 90.8 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 147 | 164.9 | -71.3 | 0 | 0 | 0 | 0 | 110.1 | I795 V853 E854 Y856 | I795-S866 CarbonylContact O-C 3.55Å; I795-S866 WeakPolarHBondContact O-CA 3.17Å; V853-S866 WeakPolarHBondContact CA-O 3.49Å; E854-S866 PolarHBondContact N-O 2.84Å; E854-S866 PolarHBondContact O-N 3.34Å; Y856-S866 WeakPolarHBondContact CE1-OG 3.2Å |
| 867 | L | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 116.2 | 171.8 | -52.1 | -177.8 | 0 | 0 | 0 | 109.7 | L773 I775 P794 I795 L797 V801 F851 V853 F869 V880 | L773-L867 HydrophobicContact CD2-CD1 4.4Å; I775-L867 HydrophobicContact CD1-CD1 3.63Å; P794-L867 WeakPolarHBondContact CA-O 3.47Å; I795-L867 HydrophobicContact CB-CB 4.37Å; I795-L867 PolarHBondContact N-O 3.49Å; I795-L867 PolarHBondContact O-N 3.27Å; L797-L867 HydrophobicContact CD1-CD1 4.37Å; L797-L867 HydrophobicContact CD1-CD2 3.91Å; L797-L867 HydrophobicContact CD1-CG 3.94Å; L797-L867 HydrophobicContact CD2-CD1 4.1Å; L797-L867 HydrophobicContact CD2-CG 4.08Å; L797-L867 HydrophobicContact CG-CG 4.18Å; V801-L867 HydrophobicContact CG2-CD2 3.75Å; F851-L867 HydrophobicContact CD2-CB 4.3Å; F851-L867 HydrophobicContact CD2-CD2 3.68Å; F851-L867 HydrophobicContact CD2-CG 4.46Å; F851-L867 HydrophobicContact CE2-CD2 3.6Å; F851-L867 HydrophobicContact CG-CB 4.48Å; F851-L867 HydrophobicContact CZ-CD2 4.37Å; V853-L867 HydrophobicContact CG2-CD2 4.21Å; L867-F869 HydrophobicContact CB-CD2 4.23Å; L867-F869 HydrophobicContact CB-CE2 3.63Å; L867-F869 HydrophobicContact CB-CZ 4.45Å; L867-F869 HydrophobicContact CD1-CE2 4.17Å; L867-F869 HydrophobicContact CD1-CZ 4.36Å; L867-V880 HydrophobicContact CD1-CG2 4.11Å |
| 868 | L | 95.4 | Very high | 91.5 | Very high | 57 Ų | 57 | 34.3 Ų | 34.3 | 30% | 0.298 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 100.3 | 176.5 | -164 | 75.7 | 0 | 0 | 0 | 109.4 | P794 F851 H852 | P794-L868 HydrophobicContact CB-CD1 3.82Å; P794-L868 HydrophobicContact CG-CD1 3.55Å; F851-L868 CarbonylContact C-O 3.55Å; F851-L868 WeakPolarHBondContact CA-O 3.21Å; F851-L868 WeakPolarHBondContact CB-O 3.28Å; H852-L868 PolarHBondContact N-O 3.35Å; H852-L868 PolarHBondContact O-N 3.28Å |
| 869 | F | 96 | Very high | 92.2 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 6% | 0.057 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 136.6 | -179.3 | -73.6 | -95.8 | 0 | 0 | 0 | 110.9 | I775 H789 F792 I795 T850 F851 L867 F872 V878 | I775-F869 HydrophobicContact CB-CZ 4.27Å; I775-F869 HydrophobicContact CD1-CE2 3.7Å; I775-F869 HydrophobicContact CD1-CZ 3.54Å; I775-F869 HydrophobicContact CG2-CZ 4.05Å; H789-F869 PolarHBondContact NE2-O 2.77Å; F792-F869 HydrophobicContact CE1-CB 4.4Å; F792-F869 HydrophobicContact CE2-CB 4.15Å; F792-F869 AromaticContact CE2-CD2 3.77Å; F792-F869 HydrophobicContact CE2-CD2 3.77Å; F792-F869 HydrophobicContact CE2-CG 4.08Å; F792-F869 HydrophobicContact CZ-CB 3.75Å; F792-F869 HydrophobicContact CZ-CD1 4.36Å; F792-F869 AromaticContact CZ-CD2 3.84Å; F792-F869 HydrophobicContact CZ-CD2 3.84Å; F792-F869 AromaticContact CZ-CG 3.7Å; F792-F869 HydrophobicContact CZ-CG 3.7Å; I795-F869 HydrophobicContact CD1-CD2 4.19Å; I795-F869 HydrophobicContact CD1-CE2 3.75Å; T850-F869 WeakPolarHBondContact O-CA 3.31Å; F851-F869 HydrophobicContact CB-CD1 3.88Å; F851-F869 HydrophobicContact CB-CD2 4.15Å; F851-F869 HydrophobicContact CB-CE1 4.05Å; F851-F869 HydrophobicContact CB-CE2 4.22Å; F851-F869 HydrophobicContact CB-CG 3.97Å; F851-F869 HydrophobicContact CB-CZ 4.2Å; F851-F869 AromaticContact CD1-CE1 3.91Å; F851-F869 HydrophobicContact CD1-CE1 3.91Å; F851-F869 HydrophobicContact CD1-CZ 4.02Å; F851-F869 HydrophobicContact CG-CE1 4.36Å; F851-F869 HydrophobicContact CG-CZ 4.31Å; L867-F869 HydrophobicContact CB-CD2 4.23Å; L867-F869 HydrophobicContact CB-CE2 3.63Å; L867-F869 HydrophobicContact CB-CZ 4.45Å; L867-F869 HydrophobicContact CD1-CE2 4.17Å; L867-F869 HydrophobicContact CD1-CZ 4.36Å; F869-F872 HydrophobicContact CB-CB 4.33Å; F869-F872 HydrophobicContact CD1-CB 3.66Å; F869-F872 HydrophobicContact CD1-CD1 4.18Å; F869-F872 AromaticContact CD1-CD2 3.85Å; F869-F872 HydrophobicContact CD1-CD2 3.85Å; F869-F872 AromaticContact CD1-CG 3.65Å; F869-F872 HydrophobicContact CD1-CG 3.65Å; F869-F872 HydrophobicContact CE1-CB 4.45Å; F869-F872 HydrophobicContact CE1-CD1 4.39Å; F869-F872 AromaticContact CE1-CD2 3.78Å; F869-F872 HydrophobicContact CE1-CD2 3.78Å; F869-F872 HydrophobicContact CE1-CE2 4.07Å; F869-F872 AromaticContact CE1-CG 3.97Å; F869-F872 HydrophobicContact CE1-CG 3.97Å; F869-F872 HydrophobicContact CE1-CZ 4.48Å; F869-F872 HydrophobicContact CG-CB 4.39Å; F869-V878 HydrophobicContact CE1-CB 4.34Å; F869-V878 HydrophobicContact CE1-CG2 4.12Å; F869-V878 HydrophobicContact CZ-CB 4.49Å; F869-V878 HydrophobicContact CZ-CG1 4.37Å |
| 870 | Y | 94.7 | Very high | 93.1 | Very high | 98 Ų | 98 | 24.3 Ų | 24.3 | 38% | 0.384 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -133.4 | -13.5 | 178.4 | 63.6 | -95.2 | 0 | 0 | 0 | 112.8 | S848 K849 T850 H852 | S848-Y870 PolarHBondContact O-OH 3.37Å; K849-Y870 WeakPolarHBondContact CA-OH 3.39Å; K849-Y870 WeakPolarHBondContact O-CE2 3.4Å; K849-Y870 PolarHBondContact O-OH 3.35Å; T850-Y870 PolarHBondContact O-N 3.46Å; H852-Y870 AromaticContact CD2-CD1 3.57Å; H852-Y870 AromaticContact CD2-CE1 3.57Å; H852-Y870 AromaticContact CE1-CE1 3.36Å; H852-Y870 WeakPolarHBondContact CE1-CE1 3.26Å; H852-Y870 AromaticContact CE1-CZ 3.76Å; H852-Y870 AromaticContact CG-CE1 3.77Å; H852-Y870 AromaticContact ND1-CE1 3.64Å; H852-Y870 AromaticContact NE2-CD1 3.65Å; H852-Y870 AromaticContact NE2-CE1 3.33Å; H852-Y870 VanDerWaalsContact NE2-CE1 3.33Å; H852-Y870 WeakPolarHBondContact NE2-CE1 3.23Å; H852-Y870 AromaticContact NE2-CZ 3.87Å |
| 871 | N | 94.2 | Very high | 94 | Very high | 64 Ų | 64 | 20 Ų | 20 | 34% | 0.342 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -148.8 | 73.5 | -179.7 | 175.9 | 38.3 | 0 | 0 | 0 | 110 | K849 T850 | K849-N871 WeakPolarHBondContact O-CB 3.3Å; K849-N871 PolarHBondContact O-ND2 3.47Å; T850-N871 WeakPolarHBondContact CA-O 3.29Å; T850-N871 WeakPolarHBondContact CB-O 3.4Å; T850-N871 VanDerWaalsContact CG2-O 3.24Å; T850-N871 WeakPolarHBondContact CG2-O 3.48Å; T850-N871 PolarHBondContact O-N 2.84Å |
| 872 | F | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -132.3 | 75.5 | -177.8 | -163.5 | -116 | 0 | 0 | 0 | 111 | V758 I775 H777 H789 F792 F869 S876 V878 | V758-F872 HydrophobicContact CG1-CE1 4.3Å; I775-F872 HydrophobicContact CG2-CE1 3.82Å; I775-F872 HydrophobicContact CG2-CZ 3.89Å; I775-F872 WeakPolarHBondContact O-CZ 3.08Å; H777-F872 HydrophobicContact CB-CD1 3.97Å; H777-F872 HydrophobicContact CB-CE1 3.62Å; H777-F872 HydrophobicContact CB-CZ 4.26Å; H777-F872 PolarHBondContact CD2-O 2.88Å; H789-F872 WeakPolarHBondContact ND1-CB 3.17Å; H789-F872 PolarHBondContact ND1-N 2.9Å; H789-F872 VanDerWaalsContact ND1-N 3.2Å; H789-F872 PolarHBondContact ND1-O 3.44Å; F792-F872 HydrophobicContact CE1-CD1 4.14Å; F792-F872 HydrophobicContact CZ-CD1 4.09Å; F869-F872 HydrophobicContact CB-CB 4.33Å; F869-F872 HydrophobicContact CD1-CB 3.66Å; F869-F872 HydrophobicContact CD1-CD1 4.18Å; F869-F872 AromaticContact CD1-CD2 3.85Å; F869-F872 HydrophobicContact CD1-CD2 3.85Å; F869-F872 AromaticContact CD1-CG 3.65Å; F869-F872 HydrophobicContact CD1-CG 3.65Å; F869-F872 HydrophobicContact CE1-CB 4.45Å; F869-F872 HydrophobicContact CE1-CD1 4.39Å; F869-F872 AromaticContact CE1-CD2 3.78Å; F869-F872 HydrophobicContact CE1-CD2 3.78Å; F869-F872 HydrophobicContact CE1-CE2 4.07Å; F869-F872 AromaticContact CE1-CG 3.97Å; F869-F872 HydrophobicContact CE1-CG 3.97Å; F869-F872 HydrophobicContact CE1-CZ 4.48Å; F869-F872 HydrophobicContact CG-CB 4.39Å; F872-S876 VanDerWaalsContact CD2-CB 3.5Å; F872-S876 VanDerWaalsContact CE2-CB 3.41Å; F872-S876 WeakPolarHBondContact CZ-O 3.38Å; F872-V878 HydrophobicContact CD2-CG2 4.29Å; F872-V878 HydrophobicContact CE2-CB 4.26Å; F872-V878 HydrophobicContact CE2-CG2 3.84Å | ||
| 873 | P | 95.4 | Very high | 94.9 | Very high | 12 Ų | 12 | 20.7 Ų | 20.7 | 8% | 0.078 | 10% | 0.1 | C | C | . | . | trans | -73.1 | 160.1 | 179.8 | 29.8 | -35.2 | 0 | 0 | 0 | 112.5 | P787 L809 G875 S876 | P787-P873 HydrophobicContact CB-CB 4.27Å; P787-P873 HydrophobicContact CG-CB 4.41Å; P787-P873 WeakPolarHBondContact O-CB 3.44Å; L809-P873 HydrophobicContact CD2-CG 4.49Å; P873-G875 PolarHBondContact O-N 2.82Å; P873-S876 VanDerWaalsContact CD-OG 3.3Å; P873-S876 WeakPolarHBondContact CD-OG 3.47Å; P873-S876 WeakPolarHBondContact CG-OG 3.02Å; P873-S876 WeakPolarHBondContact O-CB 3.17Å; P873-S876 PolarHBondContact O-N 3.43Å; P873-S876 VanDerWaalsContact O-N 3.13Å; P873-S876 PolarHBondContact O-OG 3.23Å | ||
| 874 | P | 95 | Very high | 95 | Very high | 13 Ų | 13 | 17.2 Ų | 17.2 | 8% | 0.084 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.3 | 133.8 | 168.6 | -28.3 | 25.3 | 0 | 0 | 0 | 114.4 | A779 P783 P787 H788 | A779-P874 HydrophobicContact CB-CB 4.27Å; P783-P874 HydrophobicContact CB-CB 4Å; P783-P874 HydrophobicContact CB-CG 3.93Å; P783-P874 HydrophobicContact CG-CB 3.95Å; P783-P874 HydrophobicContact CG-CG 4.42Å; P787-P874 HydrophobicContact CB-CB 3.96Å; P787-P874 HydrophobicContact CB-CG 3.78Å; H788-P874 WeakPolarHBondContact O-CD 2.91Å |
| 875 | G | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 9.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | F675 H777 S810 P873 | F675-G875 WeakPolarHBondContact O-CA 3.43Å; H777-G875 WeakPolarHBondContact O-CA 3.2Å; H777-G875 PolarHBondContact O-N 3.38Å; S810-G875 WeakPolarHBondContact CB-O 3.44Å; S810-G875 PolarHBondContact OG-O 3.16Å; P873-G875 PolarHBondContact O-N 2.82Å |
| 876 | S | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -91.8 | 147.8 | 176.5 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | T776 H777 I808 L809 F872 P873 | T776-S876 WeakPolarHBondContact CA-O 3.34Å; H777-S876 PolarHBondContact N-O 3.02Å; I808-S876 WeakPolarHBondContact O-CA 3.35Å; L809-S876 VanDerWaalsContact CD2-OG 3.24Å; L809-S876 WeakPolarHBondContact CD2-OG 3.44Å; F872-S876 VanDerWaalsContact CD2-CB 3.5Å; F872-S876 VanDerWaalsContact CE2-CB 3.41Å; F872-S876 WeakPolarHBondContact CZ-O 3.38Å; P873-S876 VanDerWaalsContact CD-OG 3.3Å; P873-S876 WeakPolarHBondContact CD-OG 3.47Å; P873-S876 WeakPolarHBondContact CG-OG 3.02Å; P873-S876 WeakPolarHBondContact O-CB 3.17Å; P873-S876 PolarHBondContact O-N 3.43Å; P873-S876 VanDerWaalsContact O-N 3.13Å; P873-S876 PolarHBondContact O-OG 3.23Å | ||
| 877 | V | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 132.7 | 179.1 | 171.1 | 0 | 0 | 0 | 0 | 109.8 | L678 A682 L774 E807 I808 V879 | L678-V877 HydrophobicContact CD1-CG2 4.45Å; L678-V877 HydrophobicContact CD2-CB 4.43Å; L678-V877 HydrophobicContact CD2-CG2 4.07Å; L678-V877 HydrophobicContact CG-CG2 3.76Å; A682-V877 HydrophobicContact CB-CB 4.4Å; A682-V877 HydrophobicContact CB-CG1 3.8Å; A682-V877 HydrophobicContact CB-CG2 3.64Å; L774-V877 HydrophobicContact CD1-CG1 3.64Å; E807-V877 WeakPolarHBondContact CA-O 3.46Å; I808-V877 HydrophobicContact CB-CB 4.43Å; I808-V877 PolarHBondContact N-O 3.08Å; I808-V877 PolarHBondContact O-N 3.27Å; V877-V879 HydrophobicContact CG1-CG2 4.31Å |
| 878 | V | 98 | Very high | 94 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132.6 | 172.5 | 163.4 | 0 | 0 | 0 | 0 | 108.6 | I775 L804 C806 E807 T850 F851 F869 F872 V880 | I775-V878 PolarHBondContact N-O 3.02Å; I775-V878 PolarHBondContact O-N 3.26Å; L804-V878 HydrophobicContact CD1-CG1 4.17Å; C806-V878 CarbonylContact O-C 3.5Å; E807-V878 HydrophobicContact CB-CG2 4.3Å; E807-V878 HydrophobicContact CG-CG2 4.05Å; T850-V878 WeakPolarHBondContact OG1-CG2 3.43Å; F851-V878 HydrophobicContact CD1-CG1 4Å; F851-V878 HydrophobicContact CD1-CG2 4.32Å; F851-V878 HydrophobicContact CE1-CG1 3.49Å; F851-V878 VanDerWaalsContact CE1-CG1 3.49Å; F851-V878 HydrophobicContact CE1-CG2 4.29Å; F851-V878 HydrophobicContact CZ-CG1 4.42Å; F869-V878 HydrophobicContact CE1-CB 4.34Å; F869-V878 HydrophobicContact CE1-CG2 4.12Å; F869-V878 HydrophobicContact CZ-CB 4.49Å; F869-V878 HydrophobicContact CZ-CG1 4.37Å; F872-V878 HydrophobicContact CD2-CG2 4.29Å; F872-V878 HydrophobicContact CE2-CB 4.26Å; F872-V878 HydrophobicContact CE2-CG2 3.84Å; V878-V880 HydrophobicContact CG1-CG1 4.02Å |
| 879 | V | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.6 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | F686 L737 V772 L773 L774 L805 C806 V877 | F686-V879 HydrophobicContact CE2-CG1 4.37Å; F686-V879 HydrophobicContact CE2-CG2 4.05Å; F686-V879 HydrophobicContact CZ-CG1 3.74Å; F686-V879 HydrophobicContact CZ-CG2 4.13Å; L737-V879 HydrophobicContact CD2-CB 4.42Å; L737-V879 HydrophobicContact CD2-CG1 3.96Å; L737-V879 HydrophobicContact CD2-CG2 4.02Å; V772-V879 HydrophobicContact CG1-CG1 3.52Å; L773-V879 VanDerWaalsContact O-CA 3.28Å; L773-V879 WeakPolarHBondContact O-CA 3.47Å; L774-V879 HydrophobicContact CB-CG2 4.46Å; L774-V879 HydrophobicContact CD1-CG2 3.78Å; L805-V879 HydrophobicContact CB-CB 4.44Å; L805-V879 HydrophobicContact CB-CG1 4.09Å; L805-V879 HydrophobicContact CD1-CG1 4.11Å; L805-V879 PolarHBondContact N-O 3.43Å; C806-V879 PolarHBondContact N-O 3.42Å; C806-V879 VanDerWaalsContact N-O 3.17Å; C806-V879 PolarHBondContact O-N 2.96Å; C806-V879 VanDerWaalsContact SG-CB 3.56Å; C806-V879 WeakPolarHBondContact SG-CG2 3.01Å; V877-V879 HydrophobicContact CG1-CG2 4.31Å |
| 880 | V | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 140.1 | 177.1 | -64 | 0 | 0 | 0 | 0 | 110.7 | V772 L773 V801 R803 L804 F851 L867 V878 I882 | V772-V880 WeakPolarHBondContact CA-O 3.48Å; L773-V880 HydrophobicContact CB-CG2 4.03Å; L773-V880 HydrophobicContact CD2-CG2 4.3Å; L773-V880 HydrophobicContact CG-CG2 4.43Å; L773-V880 PolarHBondContact N-O 3.04Å; L773-V880 PolarHBondContact O-N 3.48Å; V801-V880 HydrophobicContact CG1-CB 4.44Å; R803-V880 WeakPolarHBondContact O-CA 3.32Å; L804-V880 HydrophobicContact CD1-CG1 3.86Å; F851-V880 HydrophobicContact CE1-CG1 4.25Å; F851-V880 HydrophobicContact CZ-CG1 3.8Å; L867-V880 HydrophobicContact CD1-CG2 4.11Å; V878-V880 HydrophobicContact CG1-CG1 4.02Å; V880-I882 HydrophobicContact CG2-CD1 4.46Å; V880-I882 HydrophobicContact CG2-CG1 4.13Å |
| 881 | S | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 133.6 | 162.7 | 161.3 | 0 | 0 | 0 | 0 | 108.6 | E770 N802 R803 Y923 | E770-S881 PolarHBondContact OE1-OG 2.98Å; N802-S881 PolarHBondContact N-O 2.98Å; R803-S881 PolarHBondContact N-O 3.32Å; R803-S881 PolarHBondContact O-N 2.94Å; S881-Y923 PolarHBondContact OG-OH 3.02Å |
| 882 | I | 94 | Very high | 93.1 | Very high | 12 Ų | 12 | 22.3 Ų | 22.3 | 6% | 0.062 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122 | 179.7 | -52.3 | 169.6 | 0 | 0 | 0 | 106.7 | E770 A771 L773 L797 R800 V880 | E770-I882 WeakPolarHBondContact CG-O 3.17Å; A771-I882 HydrophobicContact CB-CB 4.24Å; A771-I882 PolarHBondContact N-O 3.07Å; A771-I882 PolarHBondContact O-N 2.88Å; L773-I882 HydrophobicContact CB-CD1 3.66Å; L773-I882 HydrophobicContact CB-CG1 4.49Å; L773-I882 HydrophobicContact CD2-CD1 4Å; L773-I882 HydrophobicContact CG-CD1 4.49Å; L797-I882 HydrophobicContact CB-CD1 4.33Å; L797-I882 HydrophobicContact CB-CG2 4.49Å; L797-I882 HydrophobicContact CD1-CD1 4.17Å; L797-I882 HydrophobicContact CD1-CG1 4.2Å; L797-I882 HydrophobicContact CD2-CD1 3.84Å; L797-I882 HydrophobicContact CG-CD1 4.35Å; R800-I882 CarbonylContact O-C 3.52Å; R800-I882 WeakPolarHBondContact O-CA 3.47Å; V880-I882 HydrophobicContact CG2-CD1 4.46Å; V880-I882 HydrophobicContact CG2-CG1 4.13Å |
| 883 | K | 91.1 | Very high | 92.8 | Very high | 68 Ų | 68 | 22.4 Ų | 22.4 | 30% | 0.296 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 156.6 | 170.7 | 66.6 | 178.1 | 170.3 | -160.8 | 0 | 109.8 | G799 R800 N802 L926 | G799-K883 CarbonylContact C-O 3.58Å; G799-K883 WeakPolarHBondContact CA-O 3.37Å; R800-K883 HydrophobicContact CB-CG 4.21Å; R800-K883 PolarHBondContact N-O 3.44Å; R800-K883 PolarHBondContact O-N 2.82Å; N802-K883 HydrophobicContact CB-CB 4.11Å; N802-K883 HydrophobicContact CB-CD 3.98Å; N802-K883 HydrophobicContact CB-CG 3.89Å; N802-K883 WeakPolarHBondContact OD1-CD 3.42Å; N802-K883 WeakPolarHBondContact OD1-CE 3.49Å; N802-K883 PolarHBondContact OD1-NZ 3.02Å; K883-L926 HydrophobicContact CB-CD1 4.28Å; K883-L926 HydrophobicContact CD-CD1 3.85Å |
| 884 | L | 90.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.052 | 12% | 0.116 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 154.7 | 167.7 | -59.2 | -177.4 | 0 | 0 | 0 | 110.3 | R769 Q888 Q889 I892 P1058 | R769-L884 HydrophobicContact CB-CD1 3.78Å; L884-Q888 HydrophobicContact CB-CB 3.85Å; L884-Q888 HydrophobicContact CD1-CB 4.48Å; L884-Q889 HydrophobicContact CB-CG 3.85Å; L884-Q889 PolarHBondContact O-NE2 3.12Å; L884-I892 HydrophobicContact CD1-CD1 3.32Å; L884-P1058 HydrophobicContact CD1-CG 4.44Å; L884-P1058 HydrophobicContact CD2-CG 3.49Å; L884-P1058 VanDerWaalsContact CD2-CG 3.49Å |
| 885 | D | 89.2 | Confident | 92.5 | Very high | 31 Ų | 31 | 22.5 Ų | 22.5 | 17% | 0.166 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 155.1 | 170.5 | -179.2 | 72 | 0 | 0 | 0 | 111 | V862 S887 Q888 Q889 | V862-D885 HydrophobicContact CG1-CB 3.73Å; D885-S887 PolarHBondContact O-N 2.88Å; D885-S887 VanDerWaalsContact OD2-CB 3.32Å; D885-S887 WeakPolarHBondContact OD2-CB 3.33Å; D885-S887 PolarHBondContact OD2-N 3.28Å; D885-S887 PolarHBondContact OD2-OG 3.27Å; D885-Q888 HydrophobicContact CB-CG 4.21Å; D885-Q888 WeakPolarHBondContact O-CA 3.1Å; D885-Q888 WeakPolarHBondContact O-CB 3.3Å; D885-Q888 PolarHBondContact O-N 2.8Å; D885-Q889 WeakPolarHBondContact O-CG 3.46Å; D885-Q889 PolarHBondContact O-N 2.98Å |
| 886 | E | 87.2 | Confident | 92.3 | Very high | 165 Ų | 165 | 24.4 Ų | 24.4 | 77% | 0.771 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -55.8 | -37.8 | -179.1 | -67.9 | -177 | 178.6 | 0 | 0 | 112.2 | Q888 Q889 Q890 | E886-Q888 VanDerWaalsContact C-N 3.35Å; E886-Q888 PolarHBondContact O-N 3.18Å; E886-Q889 PolarHBondContact O-N 3.36Å; E886-Q890 WeakPolarHBondContact O-CB 3.4Å; E886-Q890 PolarHBondContact O-N 2.97Å |
| 887 | S | 88.1 | Confident | 92 | Very high | 49 Ų | 49 | 26.4 Ų | 26.4 | 34% | 0.343 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 176.3 | 64.9 | 0 | 0 | 0 | 0 | 112.5 | D885 A891 | D885-S887 PolarHBondContact O-N 2.88Å; D885-S887 VanDerWaalsContact OD2-CB 3.32Å; D885-S887 WeakPolarHBondContact OD2-CB 3.33Å; D885-S887 PolarHBondContact OD2-N 3.28Å; D885-S887 PolarHBondContact OD2-OG 3.27Å; S887-A891 WeakPolarHBondContact O-CB 3.45Å; S887-A891 PolarHBondContact O-N 2.82Å |
| 888 | Q | 90.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -71.2 | -43.1 | 177.3 | -66.1 | 175.3 | -30.5 | 0 | 0 | 111.7 | V862 L884 D885 E886 Q890 A891 I892 N1056 | V862-Q888 HydrophobicContact CG1-CG 4.09Å; L884-Q888 HydrophobicContact CB-CB 3.85Å; L884-Q888 HydrophobicContact CD1-CB 4.48Å; D885-Q888 HydrophobicContact CB-CG 4.21Å; D885-Q888 WeakPolarHBondContact O-CA 3.1Å; D885-Q888 WeakPolarHBondContact O-CB 3.3Å; D885-Q888 PolarHBondContact O-N 2.8Å; E886-Q888 VanDerWaalsContact C-N 3.35Å; E886-Q888 PolarHBondContact O-N 3.18Å; Q888-Q890 VanDerWaalsContact C-N 3.34Å; Q888-Q890 PolarHBondContact O-N 3.2Å; Q888-A891 PolarHBondContact O-N 3.26Å; Q888-I892 WeakPolarHBondContact O-CG1 3.39Å; Q888-I892 PolarHBondContact O-N 3.09Å; Q888-N1056 WeakPolarHBondContact CA-O 3.36Å; Q888-N1056 WeakPolarHBondContact CG-O 3.49Å |
| 889 | Q | 89.8 | Confident | 91.3 | Very high | 34 Ų | 34 | 26.8 Ų | 26.8 | 16% | 0.159 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 175.8 | -67.9 | -178.4 | 35.7 | 0 | 0 | 111.3 | L884 D885 E886 I892 A893 L928 P929 | L884-Q889 HydrophobicContact CB-CG 3.85Å; L884-Q889 PolarHBondContact O-NE2 3.12Å; D885-Q889 WeakPolarHBondContact O-CG 3.46Å; D885-Q889 PolarHBondContact O-N 2.98Å; E886-Q889 PolarHBondContact O-N 3.36Å; Q889-I892 PolarHBondContact O-N 3.34Å; Q889-A893 WeakPolarHBondContact O-CB 3.44Å; Q889-A893 PolarHBondContact O-N 2.66Å; Q889-L928 HydrophobicContact CB-CD2 4.45Å; Q889-P929 HydrophobicContact CB-CG 4.27Å |
| 890 | Q | 89.7 | Confident | 90.8 | Very high | 68 Ų | 68 | 28.8 Ų | 28.8 | 32% | 0.318 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.3 | -173.6 | 60 | 55.5 | 0 | 0 | 111.2 | E886 Q888 I892 A893 D894 | E886-Q890 WeakPolarHBondContact O-CB 3.4Å; E886-Q890 PolarHBondContact O-N 2.97Å; Q888-Q890 VanDerWaalsContact C-N 3.34Å; Q888-Q890 PolarHBondContact O-N 3.2Å; Q890-I892 VanDerWaalsContact C-N 3.33Å; Q890-I892 PolarHBondContact O-N 3.36Å; Q890-A893 PolarHBondContact O-N 2.95Å; Q890-D894 PolarHBondContact NE2-OD1 3.36Å; Q890-D894 WeakPolarHBondContact O-CB 3.43Å; Q890-D894 PolarHBondContact O-N 2.99Å |
| 891 | A | 91.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S887 Q888 D894 L895 P1053 N1056 I1057 | S887-A891 WeakPolarHBondContact O-CB 3.45Å; S887-A891 PolarHBondContact O-N 2.82Å; Q888-A891 PolarHBondContact O-N 3.26Å; A891-D894 PolarHBondContact O-N 3.23Å; A891-L895 VanDerWaalsContact O-CG 3.28Å; A891-L895 WeakPolarHBondContact O-CG 3.49Å; A891-L895 PolarHBondContact O-N 2.97Å; A891-P1053 HydrophobicContact CB-CB 4.06Å; A891-P1053 WeakPolarHBondContact O-CB 3.3Å; A891-N1056 HydrophobicContact CB-CB 3.77Å; A891-I1057 HydrophobicContact CB-CG2 3.76Å |
| 892 | I | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.1 | -42.7 | 175.2 | -66.6 | -178.4 | 0 | 0 | 0 | 111.7 | R769 L884 Q888 Q889 Q890 D894 L895 H896 L928 I1057 L1061 Y1065 | R769-I892 HydrophobicContact CB-CD1 4.21Å; R769-I892 HydrophobicContact CG-CD1 3.93Å; L884-I892 HydrophobicContact CD1-CD1 3.32Å; Q888-I892 WeakPolarHBondContact O-CG1 3.39Å; Q888-I892 PolarHBondContact O-N 3.09Å; Q889-I892 PolarHBondContact O-N 3.34Å; Q890-I892 VanDerWaalsContact C-N 3.33Å; Q890-I892 PolarHBondContact O-N 3.36Å; I892-D894 VanDerWaalsContact C-N 3.26Å; I892-D894 PolarHBondContact O-N 3.18Å; I892-L895 WeakPolarHBondContact O-CB 3.34Å; I892-L895 PolarHBondContact O-N 3.25Å; I892-H896 PolarHBondContact O-N 2.99Å; I892-L928 HydrophobicContact CB-CD2 4.39Å; I892-L928 HydrophobicContact CG2-CD1 3.71Å; I892-L928 HydrophobicContact CG2-CD2 4.17Å; I892-I1057 HydrophobicContact CD1-CG2 4.44Å; I892-I1057 HydrophobicContact CG1-CB 4.43Å; I892-I1057 HydrophobicContact CG1-CG2 3.62Å; I892-L1061 HydrophobicContact CD1-CD1 4.13Å; I892-Y1065 HydrophobicContact CG2-CE1 4.17Å; I892-Y1065 VanDerWaalsContact CG2-OH 3.23Å; I892-Y1065 WeakPolarHBondContact CG2-OH 3.46Å |
| 893 | A | 90.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q889 Q890 H896 N897 P929 | Q889-A893 WeakPolarHBondContact O-CB 3.44Å; Q889-A893 PolarHBondContact O-N 2.66Å; Q890-A893 PolarHBondContact O-N 2.95Å; A893-H896 PolarHBondContact O-N 3.43Å; A893-N897 WeakPolarHBondContact O-CB 3.41Å; A893-N897 PolarHBondContact O-N 2.97Å; A893-N897 PolarHBondContact O-ND2 2.79Å; A893-P929 HydrophobicContact CB-CG 3.99Å; A893-P929 WeakPolarHBondContact CB-O 3.42Å |
| 894 | D | 92 | Very high | 89.2 | Confident | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 175 | -69.7 | -11.3 | 0 | 0 | 0 | 111.4 | Q890 A891 I892 N897 F898 L935 P1053 | Q890-D894 PolarHBondContact NE2-OD1 3.36Å; Q890-D894 WeakPolarHBondContact O-CB 3.43Å; Q890-D894 PolarHBondContact O-N 2.99Å; A891-D894 PolarHBondContact O-N 3.23Å; I892-D894 VanDerWaalsContact C-N 3.26Å; I892-D894 PolarHBondContact O-N 3.18Å; D894-N897 PolarHBondContact O-N 3.32Å; D894-F898 VanDerWaalsContact O-CB 3.26Å; D894-F898 WeakPolarHBondContact O-CB 3.12Å; D894-F898 PolarHBondContact O-N 3.5Å; D894-L935 HydrophobicContact CB-CD1 3.86Å; D894-L935 HydrophobicContact CB-CG 4.23Å; D894-P1053 HydrophobicContact CB-CG 4.14Å |
| 895 | L | 92.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -46 | 176 | -70.6 | 165.4 | 0 | 0 | 0 | 112.1 | A891 I892 F898 M899 P1053 L1054 I1057 Y1065 L1069 | A891-L895 VanDerWaalsContact O-CG 3.28Å; A891-L895 WeakPolarHBondContact O-CG 3.49Å; A891-L895 PolarHBondContact O-N 2.97Å; I892-L895 WeakPolarHBondContact O-CB 3.34Å; I892-L895 PolarHBondContact O-N 3.25Å; L895-F898 PolarHBondContact O-N 3.05Å; L895-M899 VanDerWaalsContact O-CG 3.31Å; L895-M899 WeakPolarHBondContact O-CG 3.38Å; L895-M899 PolarHBondContact O-N 2.69Å; L895-P1053 HydrophobicContact CD1-CB 4.16Å; L895-P1053 HydrophobicContact CD2-CB 3.95Å; L895-P1053 HydrophobicContact CD2-CG 4.2Å; L895-P1053 HydrophobicContact CG-CB 3.73Å; L895-P1053 HydrophobicContact CG-CG 4.29Å; L895-L1054 HydrophobicContact CD1-CD2 4.09Å; L895-L1054 HydrophobicContact CD2-CD2 4.2Å; L895-I1057 HydrophobicContact CD1-CD1 4.15Å; L895-I1057 HydrophobicContact CD1-CG2 4.08Å; L895-Y1065 HydrophobicContact CB-CD1 4.01Å; L895-Y1065 HydrophobicContact CB-CE1 4.2Å; L895-Y1065 HydrophobicContact CD1-CD1 3.59Å; L895-Y1065 HydrophobicContact CD1-CE1 4.1Å; L895-Y1065 HydrophobicContact CD1-CG 3.99Å; L895-Y1065 HydrophobicContact CG-CD1 4.33Å; L895-L1069 HydrophobicContact CD2-CD1 3.68Å; L895-L1069 HydrophobicContact CD2-CD2 4.33Å; L895-L1069 HydrophobicContact CD2-CG 4.38Å |
| 896 | H | 89.8 | Confident | 88.4 | Confident | 41 Ų | 41 | 40.3 Ų | 40.3 | 19% | 0.19 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 178.6 | -76.5 | -164 | 0 | 0 | 0 | 111.7 | I892 A893 F898 M899 S900 Y908 Y1065 | I892-H896 PolarHBondContact O-N 2.99Å; A893-H896 PolarHBondContact O-N 3.43Å; H896-F898 VanDerWaalsContact C-N 3.33Å; H896-F898 PolarHBondContact O-N 2.93Å; H896-M899 PolarHBondContact O-N 3.21Å; H896-S900 PolarHBondContact O-N 2.99Å; H896-Y908 AromaticContact CE1-CD2 3.65Å; H896-Y908 AromaticContact CE1-CE2 3.93Å; H896-Y1065 AromaticContact CD2-CE1 3.74Å; H896-Y1065 AromaticContact NE2-CE1 3.62Å; H896-Y1065 AromaticContact NE2-CZ 3.91Å; H896-Y1065 PolarHBondContact NE2-OH 3.08Å |
| 897 | N | 89.7 | Confident | 88.1 | Confident | 42 Ų | 42 | 33.2 Ų | 33.2 | 23% | 0.225 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.4 | -39.5 | 175.7 | -77.7 | -58.4 | 0 | 0 | 0 | 111.8 | A893 D894 S900 Q901 G931 | A893-N897 WeakPolarHBondContact O-CB 3.41Å; A893-N897 PolarHBondContact O-N 2.97Å; A893-N897 PolarHBondContact O-ND2 2.79Å; D894-N897 PolarHBondContact O-N 3.32Å; N897-S900 PolarHBondContact O-N 3.39Å; N897-Q901 WeakPolarHBondContact O-CB 3.19Å; N897-Q901 WeakPolarHBondContact O-CG 3.42Å; N897-Q901 PolarHBondContact O-N 2.96Å; N897-G931 VanDerWaalsContact CG-O 3.24Å; N897-G931 WeakPolarHBondContact ND2-CA 3.17Å; N897-G931 PolarHBondContact ND2-N 2.8Å; N897-G931 PolarHBondContact ND2-O 3.38Å; N897-G931 PolarHBondContact OD1-O 2.89Å |
| 898 | F | 91.9 | Very high | 87.4 | Confident | 7 Ų | 7 | 33.1 Ų | 33.1 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.4 | -49.9 | 174.3 | -168.5 | -81 | 0 | 0 | 0 | 111 | D894 L895 H896 S900 Q901 Q902 F903 L936 I941 I1046 M1050 L1069 | D894-F898 VanDerWaalsContact O-CB 3.26Å; D894-F898 WeakPolarHBondContact O-CB 3.12Å; D894-F898 PolarHBondContact O-N 3.5Å; L895-F898 PolarHBondContact O-N 3.05Å; H896-F898 VanDerWaalsContact C-N 3.33Å; H896-F898 PolarHBondContact O-N 2.93Å; F898-S900 VanDerWaalsContact C-N 3.35Å; F898-S900 PolarHBondContact O-N 3.2Å; F898-Q901 PolarHBondContact O-N 3.26Å; F898-Q902 HydrophobicContact CD1-CB 4.29Å; F898-Q902 HydrophobicContact CD1-CG 4.01Å; F898-Q902 HydrophobicContact CD2-CG 4.19Å; F898-Q902 HydrophobicContact CE1-CB 4.03Å; F898-Q902 HydrophobicContact CE1-CG 3.75Å; F898-Q902 HydrophobicContact CE2-CG 3.98Å; F898-Q902 HydrophobicContact CG-CG 4.21Å; F898-Q902 HydrophobicContact CZ-CB 4.45Å; F898-Q902 HydrophobicContact CZ-CG 3.76Å; F898-Q902 WeakPolarHBondContact O-CB 3.45Å; F898-Q902 WeakPolarHBondContact O-CG 3.41Å; F898-Q902 PolarHBondContact O-N 3.36Å; F898-F903 HydrophobicContact CD1-CE2 4.13Å; F898-F903 AromaticContact CE1-CE2 3.83Å; F898-F903 HydrophobicContact CE1-CE2 3.83Å; F898-F903 HydrophobicContact CE1-CZ 4.21Å; F898-L936 HydrophobicContact CE2-CB 4.45Å; F898-L936 HydrophobicContact CE2-CD2 4.26Å; F898-I941 HydrophobicContact CE1-CD1 3.77Å; F898-I941 HydrophobicContact CZ-CD1 3.67Å; F898-I1046 HydrophobicContact CZ-CG2 4.49Å; F898-M1050 HydrophobicContact CD1-CG 3.91Å; F898-M1050 HydrophobicContact CE1-CB 3.88Å; F898-M1050 HydrophobicContact CE1-CG 3.33Å; F898-M1050 HydrophobicContact CE1-SD 3.63Å; F898-M1050 HydrophobicContact CE2-CB 3.95Å; F898-M1050 HydrophobicContact CE2-CG 4.27Å; F898-M1050 HydrophobicContact CZ-CB 3.49Å; F898-M1050 VanDerWaalsContact CZ-CB 3.49Å; F898-M1050 HydrophobicContact CZ-CG 3.53Å; F898-M1050 HydrophobicContact CZ-SD 4.03Å; F898-L1069 HydrophobicContact CD1-CD2 4.07Å |
| 899 | M | 89.1 | Confident | 86.2 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.9 | -45.5 | 178.3 | -71.5 | -64 | -72.2 | 0 | 0 | 112.2 | L895 H896 F903 D904 C905 L907 A1068 L1069 T1072 | L895-M899 VanDerWaalsContact O-CG 3.31Å; L895-M899 WeakPolarHBondContact O-CG 3.38Å; L895-M899 PolarHBondContact O-N 2.69Å; H896-M899 PolarHBondContact O-N 3.21Å; M899-F903 HydrophobicContact CE-CD2 4.24Å; M899-F903 WeakPolarHBondContact O-CA 3.22Å; M899-F903 WeakPolarHBondContact O-CB 3.49Å; M899-F903 PolarHBondContact O-N 2.97Å; M899-F903 HydrophobicContact SD-CD2 3.62Å; M899-F903 HydrophobicContact SD-CE2 3.9Å; M899-D904 PolarHBondContact O-N 2.89Å; M899-C905 CarbonylContact C-O 3.55Å; M899-C905 VanDerWaalsContact C-O 3.25Å; M899-C905 WeakPolarHBondContact CB-O 3.31Å; M899-C905 HydrophobicContact CE-CB 4.01Å; M899-C905 PolarHBondContact O-N 3.05Å; M899-L907 HydrophobicContact CB-CG 4.5Å; M899-L907 HydrophobicContact CE-CD2 3.95Å; M899-L907 HydrophobicContact CG-CD1 4.15Å; M899-L907 HydrophobicContact CG-CG 4.34Å; M899-A1068 HydrophobicContact CE-CB 4.31Å; M899-A1068 WeakPolarHBondContact CE-O 3.06Å; M899-L1069 HydrophobicContact CG-CD2 4.19Å; M899-L1069 HydrophobicContact SD-CD2 3.62Å; M899-L1069 HydrophobicContact SD-CG 4.4Å; M899-T1072 HydrophobicContact CE-CG2 4.07Å |
| 900 | S | 87.2 | Confident | 84.9 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.5 | -39.5 | 179.5 | -171.5 | 0 | 0 | 0 | 0 | 112.8 | H896 N897 F898 D904 C905 | H896-S900 PolarHBondContact O-N 2.99Å; N897-S900 PolarHBondContact O-N 3.39Å; F898-S900 VanDerWaalsContact C-N 3.35Å; F898-S900 PolarHBondContact O-N 3.2Å; S900-D904 WeakPolarHBondContact O-CA 3.49Å; S900-D904 PolarHBondContact O-N 2.95Å; S900-C905 PolarHBondContact N-O 2.77Å |
| 901 | Q | 89.2 | Confident | 83.8 | Confident | 48 Ų | 48 | 44.2 Ų | 44.2 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -81.6 | -29.8 | -174.7 | -70.2 | 176.6 | 8.9 | 0 | 0 | 113.5 | N897 F898 S934 P938 N939 | N897-Q901 WeakPolarHBondContact O-CB 3.19Å; N897-Q901 WeakPolarHBondContact O-CG 3.42Å; N897-Q901 PolarHBondContact O-N 2.96Å; F898-Q901 PolarHBondContact O-N 3.26Å; Q901-S934 PolarHBondContact OE1-OG 3.43Å; Q901-P938 HydrophobicContact CB-CB 4.39Å; Q901-N939 PolarHBondContact O-N 2.78Å |
| 902 | Q | 88.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -97.3 | -37.2 | -178 | -59.8 | -56.1 | -43.9 | 0 | 0 | 112.9 | F898 L936 K937 I941 | F898-Q902 HydrophobicContact CD1-CB 4.29Å; F898-Q902 HydrophobicContact CD1-CG 4.01Å; F898-Q902 HydrophobicContact CD2-CG 4.19Å; F898-Q902 HydrophobicContact CE1-CB 4.03Å; F898-Q902 HydrophobicContact CE1-CG 3.75Å; F898-Q902 HydrophobicContact CE2-CG 3.98Å; F898-Q902 HydrophobicContact CG-CG 4.21Å; F898-Q902 HydrophobicContact CZ-CB 4.45Å; F898-Q902 HydrophobicContact CZ-CG 3.76Å; F898-Q902 WeakPolarHBondContact O-CB 3.45Å; F898-Q902 WeakPolarHBondContact O-CG 3.41Å; F898-Q902 PolarHBondContact O-N 3.36Å; Q902-L936 PolarHBondContact NE2-O 2.96Å; Q902-K937 PolarHBondContact NE2-O 2.93Å; Q902-I941 HydrophobicContact CB-CD1 4.1Å; Q902-I941 HydrophobicContact CG-CD1 4.31Å |
| 903 | F | 84.6 | Confident | 82.1 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 4% | 0.044 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -114.3 | -3.8 | -173 | -53.8 | -62.1 | 0 | 0 | 0 | 114.4 | F898 M899 C905 I941 M1050 T1072 L1073 F1076 | F898-F903 HydrophobicContact CD1-CE2 4.13Å; F898-F903 AromaticContact CE1-CE2 3.83Å; F898-F903 HydrophobicContact CE1-CE2 3.83Å; F898-F903 HydrophobicContact CE1-CZ 4.21Å; M899-F903 HydrophobicContact CE-CD2 4.24Å; M899-F903 WeakPolarHBondContact O-CA 3.22Å; M899-F903 WeakPolarHBondContact O-CB 3.49Å; M899-F903 PolarHBondContact O-N 2.97Å; M899-F903 HydrophobicContact SD-CD2 3.62Å; M899-F903 HydrophobicContact SD-CE2 3.9Å; F903-C905 HydrophobicContact CB-CB 3.99Å; F903-C905 PolarHBondContact O-N 2.99Å; F903-I941 HydrophobicContact CE1-CD1 3.85Å; F903-I941 HydrophobicContact CE1-CG2 4.14Å; F903-I941 HydrophobicContact CE2-CD1 4.41Å; F903-I941 HydrophobicContact CZ-CD1 3.55Å; F903-M1050 HydrophobicContact CE2-SD 4.46Å; F903-M1050 HydrophobicContact CZ-SD 4.28Å; F903-T1072 HydrophobicContact CB-CG2 3.61Å; F903-T1072 HydrophobicContact CD1-CG2 3.93Å; F903-T1072 HydrophobicContact CD2-CG2 3.83Å; F903-T1072 HydrophobicContact CE2-CG2 4.47Å; F903-T1072 HydrophobicContact CG-CG2 3.53Å; F903-L1073 HydrophobicContact CE1-CB 4.3Å; F903-L1073 HydrophobicContact CE1-CD1 4.14Å; F903-L1073 HydrophobicContact CZ-CB 4.03Å; F903-L1073 HydrophobicContact CZ-CD1 4.24Å; F903-F1076 HydrophobicContact CB-CE2 4.2Å; F903-F1076 HydrophobicContact CD1-CB 4.31Å; F903-F1076 HydrophobicContact CD1-CD1 4.07Å; F903-F1076 AromaticContact CD1-CD2 3.93Å; F903-F1076 HydrophobicContact CD1-CD2 3.93Å; F903-F1076 HydrophobicContact CD1-CE1 4.31Å; F903-F1076 HydrophobicContact CD1-CE2 4.18Å; F903-F1076 AromaticContact CD1-CG 3.85Å; F903-F1076 HydrophobicContact CD1-CG 3.85Å; F903-F1076 HydrophobicContact CD1-CZ 4.34Å; F903-F1076 HydrophobicContact CE1-CB 4.37Å; F903-F1076 HydrophobicContact CE1-CD1 4.49Å; F903-F1076 HydrophobicContact CE1-CG 4.32Å |
| 904 | D | 81.3 | Confident | 81.7 | Confident | 115 Ų | 115 | 57 Ų | 57 | 62% | 0.615 | 29% | 0.289 | S | S | * | . | trans | 53.6 | 29.8 | -168.7 | -165.5 | 32.6 | 0 | 0 | 0 | 112.2 | M899 S900 | M899-D904 PolarHBondContact O-N 2.89Å; S900-D904 WeakPolarHBondContact O-CA 3.49Å; S900-D904 PolarHBondContact O-N 2.95Å | ||
| 905 | C | 82 | Confident | 81.3 | Confident | 19 Ų | 19 | 58 Ų | 58 | 13% | 0.128 | 30% | 0.3 | C | S | . | . | trans | -104.8 | 111.9 | -178.6 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | M899 S900 F903 | M899-C905 CarbonylContact C-O 3.55Å; M899-C905 VanDerWaalsContact C-O 3.25Å; M899-C905 WeakPolarHBondContact CB-O 3.31Å; M899-C905 HydrophobicContact CE-CB 4.01Å; M899-C905 PolarHBondContact O-N 3.05Å; S900-C905 PolarHBondContact N-O 2.77Å; F903-C905 HydrophobicContact CB-CB 3.99Å; F903-C905 PolarHBondContact O-N 2.99Å | ||
| 906 | R | 79.8 | Confident | 81 | Confident | 170 Ų | 170 | 58 Ų | 58 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | trans | -91.5 | 120.1 | 168.4 | -67.6 | -173.1 | -177.1 | -178.7 | -0 | 108.2 | Y908 | R906-Y908 PolarHBondContact O-N 3.21Š| ||
| 907 | L | 80.6 | Confident | 80.6 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -70.6 | -22.7 | 176.9 | -63.1 | -177.3 | 0 | 0 | 0 | 112.3 | F641 R643 M899 Y1065 A1068 | F641-L907 HydrophobicContact CB-CD2 4.18Å; F641-L907 HydrophobicContact CD1-CB 3.85Å; F641-L907 HydrophobicContact CD1-CD1 4.1Å; F641-L907 HydrophobicContact CD1-CD2 4.17Å; F641-L907 HydrophobicContact CD1-CG 4.26Å; F641-L907 HydrophobicContact CD2-CD1 4.41Å; F641-L907 HydrophobicContact CD2-CD2 4.4Å; F641-L907 HydrophobicContact CE1-CB 4.01Å; F641-L907 HydrophobicContact CE1-CD1 3.76Å; F641-L907 HydrophobicContact CE1-CG 4.36Å; F641-L907 HydrophobicContact CE2-CD1 4.12Å; F641-L907 HydrophobicContact CG-CD1 4.4Å; F641-L907 HydrophobicContact CG-CD2 4.02Å; F641-L907 HydrophobicContact CZ-CD1 3.79Å; R643-L907 HydrophobicContact CG-CD2 3.73Å; M899-L907 HydrophobicContact CB-CG 4.5Å; M899-L907 HydrophobicContact CE-CD2 3.95Å; M899-L907 HydrophobicContact CG-CD1 4.15Å; M899-L907 HydrophobicContact CG-CG 4.34Å; L907-Y1065 HydrophobicContact CD1-CD1 4.46Å; L907-Y1065 HydrophobicContact CD1-CE1 4.3Å; L907-A1068 HydrophobicContact CD1-CB 4.38Å; L907-A1068 HydrophobicContact CD2-CB 4.27Å |
| 908 | Y | 74 | Confident | 80 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -147.3 | 158.4 | -179.9 | -63 | -66.7 | 0 | 0 | 0 | 112.7 | F641 P766 E767 R769 H896 R906 | F641-Y908 HydrophobicContact CD1-CE1 4.33Å; F641-Y908 AromaticContact CD1-CE2 3.92Å; F641-Y908 HydrophobicContact CD1-CE2 3.92Å; F641-Y908 AromaticContact CD1-CZ 3.58Å; F641-Y908 VanDerWaalsContact CD1-OH 3.25Å; F641-Y908 WeakPolarHBondContact CD1-OH 3.38Å; F641-Y908 AromaticContact CE1-CE2 3.46Å; F641-Y908 HydrophobicContact CE1-CE2 3.46Å; F641-Y908 VanDerWaalsContact CE1-CE2 3.46Å; F641-Y908 AromaticContact CE1-CZ 3.45Å; F641-Y908 VanDerWaalsContact CE1-CZ 3.45Å; F641-Y908 WeakPolarHBondContact CE1-OH 3.49Å; P766-Y908 HydrophobicContact CB-CD1 4.49Å; P766-Y908 HydrophobicContact CB-CE1 3.46Å; P766-Y908 VanDerWaalsContact CB-CE1 3.46Å; P766-Y908 VanDerWaalsContact CB-OH 3.23Å; P766-Y908 WeakPolarHBondContact CB-OH 3.28Å; P766-Y908 WeakPolarHBondContact O-CE2 3.39Å; P766-Y908 PolarHBondContact O-OH 2.98Å; P766-Y908 VanDerWaalsContact O-OH 3.09Å; E767-Y908 HydrophobicContact CB-CD1 4.42Å; E767-Y908 HydrophobicContact CB-CG 4.23Å; E767-Y908 HydrophobicContact CG-CD1 3.67Å; E767-Y908 HydrophobicContact CG-CE1 4.4Å; E767-Y908 HydrophobicContact CG-CG 3.8Å; R769-Y908 PolarHBondContact NH2-OH 3.17Å; H896-Y908 AromaticContact CE1-CD2 3.65Å; H896-Y908 AromaticContact CE1-CE2 3.93Å; R906-Y908 PolarHBondContact O-N 3.21Å |
| 909 | E | 66.6 | Low | 79.3 | Confident | 112 Ų | 112 | 66.5 Ų | 66.5 | 52% | 0.523 | 36% | 0.356 | S | S | . | . | trans | -84.4 | 140.5 | 170 | -70.1 | -156.9 | 157.4 | 0 | 0 | 111.3 | K2 | K2-E909 PolarHBondContact N-OE1 3.15Š| ||
| 910 | P | 61.8 | Low | 78.6 | Confident | 109 Ų | 109 | 76.1 Ų | 76.1 | 71% | 0.708 | 40% | 0.401 | S | S | * | . | trans | -61.8 | 139.3 | 172.3 | -17 | 28.8 | 0 | 0 | 0 | 111 | ||||
| 911 | R | 65.7 | Low | 78.2 | Confident | 117 Ų | 117 | 78.9 Ų | 78.9 | 44% | 0.442 | 41% | 0.413 | S | S | . | . | trans | -133.6 | 145.6 | -175.9 | -171.9 | -171.2 | 164.7 | 131.7 | 11.8 | 112.1 | S743 E744 | S743-R911 PolarHBondContact O-NH1 3.42Å; S743-R911 PolarHBondContact O-NH2 3.02Å; E744-R911 IonicContact OE1-CZ 2.61Å; E744-R911 IonicContact OE1-NE 3.32Å; E744-R911 IonicContact OE1-NH2 3.05Å; E744-R911 PolarHBondContact OE1-NH2 2.75Å; E744-R911 VanDerWaalsContact OE1-NH2 3.13Å; E744-R911 IonicContact OE2-NE 3.13Å | ||
| 912 | T | 68.7 | Low | 77.8 | Confident | 127 Ų | 127 | 78 Ų | 78 | 78% | 0.779 | 41% | 0.414 | S | S | * | . | trans | -88.9 | 114.7 | 165.2 | 48 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 913 | S | 79.8 | Confident | 77.7 | Confident | 47 Ų | 47 | 78.9 Ų | 78.9 | 33% | 0.329 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 148.3 | 179.5 | -72.5 | 0 | 0 | 0 | 0 | 113.6 | E744 | E744-S913 WeakPolarHBondContact OE2-CA 3.17Å; E744-S913 WeakPolarHBondContact OE2-CB 3.47Å; E744-S913 PolarHBondContact OE2-OG 2.91Å |
| 914 | Q | 80.7 | Confident | 77.8 | Confident | 101 Ų | 101 | 83.1 Ų | 83.1 | 47% | 0.472 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 148.8 | 173 | -59.6 | -173.4 | 11.5 | 0 | 0 | 111.3 | W740 E744 P925 | W740-Q914 PolarHBondContact NE1-O 3.29Å; E744-Q914 PolarHBondContact OE1-N 3.41Å; Q914-P925 WeakPolarHBondContact O-CD 3.4Å |
| 915 | A | 83.4 | Confident | 77.7 | Confident | 46 Ų | 46 | 78 Ų | 78 | 38% | 0.38 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 141.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A922 Y923 I924 | A915-A922 HydrophobicContact CB-CB 3.82Å; A915-Y923 CarbonylContact C-O 3.58Å; A915-Y923 WeakPolarHBondContact CA-O 3.34Å; A915-I924 HydrophobicContact CB-CD1 4.31Å; A915-I924 HydrophobicContact CB-CG1 3.58Å |
| 916 | M | 85.7 | Confident | 77.5 | Confident | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -92.4 | 125.5 | 167.4 | -175.8 | -170.3 | 169.3 | 0 | 0 | 109.8 | L737 W740 L805 N842 A922 Y923 | L737-M916 HydrophobicContact CB-CE 3.69Å; L737-M916 HydrophobicContact CD1-CE 3.63Å; L737-M916 HydrophobicContact CD1-SD 3.67Å; L737-M916 HydrophobicContact CG-CE 4.16Å; W740-M916 HydrophobicContact CB-CG 4.47Å; W740-M916 HydrophobicContact CD2-CB 3.83Å; W740-M916 HydrophobicContact CD2-CG 4.28Å; W740-M916 HydrophobicContact CD2-SD 4.34Å; W740-M916 HydrophobicContact CE3-CB 4.49Å; W740-M916 HydrophobicContact CE3-SD 4.09Å; W740-M916 HydrophobicContact CG-CB 3.83Å; W740-M916 HydrophobicContact CG-CG 4.23Å; W740-M916 HydrophobicContact CZ2-CB 4.29Å; W740-M916 HydrophobicContact CZ3-SD 4.37Å; L805-M916 HydrophobicContact CB-SD 4.49Å; L805-M916 HydrophobicContact CD1-SD 4.15Å; L805-M916 HydrophobicContact CD2-SD 4.31Å; N842-M916 PolarHBondContact ND2-O 3.06Å; N842-M916 VanDerWaalsContact ND2-O 3.11Å; M916-A922 CarbonylContact O-C 3.48Å; M916-A922 VanDerWaalsContact O-CA 3.32Å; M916-A922 WeakPolarHBondContact O-CA 3.28Å; M916-Y923 PolarHBondContact N-O 3.36Å; M916-Y923 PolarHBondContact O-N 3.33Å |
| 917 | G | 82.4 | Confident | 77.4 | Confident | 12 Ų | 12 | 77 Ų | 77 | 12% | 0.124 | 43% | 0.425 | C | S | . | . | S | Bend | trans | 87.1 | -178.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | E736 A922 | E736-G917 VanDerWaalsContact OE1-CA 3.23Å; E736-G917 WeakPolarHBondContact OE1-CA 3.21Å; E736-G917 PolarHBondContact OE1-N 3.32Å; G917-A922 WeakPolarHBondContact O-CB 3.49Å |
| 918 | K | 76.6 | Confident | 77.3 | Confident | 192 Ų | 192 | 77.8 Ų | 77.8 | 84% | 0.835 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -120.7 | 154.1 | -175.7 | -62.2 | 179.3 | -176.4 | 174.1 | 0 | 111.5 | ||
| 919 | G | 76.8 | Confident | 77.5 | Confident | 64 Ų | 64 | 77.7 Ų | 77.7 | 66% | 0.66 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 76.2 | -163.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N921 A922 | G919-N921 PolarHBondContact O-N 3.44Å; G919-A922 VanDerWaalsContact O-CB 3.31Å; G919-A922 WeakPolarHBondContact O-CB 3.21Å; G919-A922 PolarHBondContact O-N 3.23Å |
| 920 | E | 75.6 | Confident | 77.6 | Confident | 203 Ų | 203 | 77 Ų | 77 | 95% | 0.949 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.3 | -175.5 | -63.6 | -179.6 | 172.3 | 0 | 0 | 113.8 | ||
| 921 | N | 77.2 | Confident | 77.7 | Confident | 100 Ų | 100 | 72.1 Ų | 72.1 | 54% | 0.535 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 5.5 | 176.9 | -67.1 | -28.2 | 0 | 0 | 0 | 113.3 | N842 G919 Y923 | N842-N921 HydrophobicContact CB-CB 4.43Å; N842-N921 WeakPolarHBondContact CB-O 3.35Å; N842-N921 PolarHBondContact ND2-O 3.14Å; N842-N921 VanDerWaalsContact ND2-O 3.16Å; G919-N921 PolarHBondContact O-N 3.44Å; N921-Y923 PolarHBondContact O-N 2.96Å |
| 922 | A | 82.8 | Confident | 77.6 | Confident | 30 Ų | 30 | 73.2 Ų | 73.2 | 25% | 0.248 | 43% | 0.426 | C | S | . | . | trans | -64.3 | 133.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A915 M916 G917 G919 | A915-A922 HydrophobicContact CB-CB 3.82Å; M916-A922 CarbonylContact O-C 3.48Å; M916-A922 VanDerWaalsContact O-CA 3.32Å; M916-A922 WeakPolarHBondContact O-CA 3.28Å; G917-A922 WeakPolarHBondContact O-CB 3.49Å; G919-A922 VanDerWaalsContact O-CB 3.31Å; G919-A922 WeakPolarHBondContact O-CB 3.21Å; G919-A922 PolarHBondContact O-N 3.23Å | ||
| 923 | Y | 86.5 | Confident | 77.6 | Confident | 19 Ų | 19 | 72.7 Ų | 72.7 | 8% | 0.075 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -95.1 | 121.5 | -175.7 | -179.4 | -102.3 | 0 | 0 | 0 | 110.7 | W740 E770 N802 R803 L805 S881 A915 M916 N921 | W740-Y923 AromaticContact CH2-CD1 3.93Å; W740-Y923 HydrophobicContact CH2-CD1 3.93Å; W740-Y923 AromaticContact CH2-CE1 3.9Å; W740-Y923 HydrophobicContact CH2-CE1 3.9Å; W740-Y923 AromaticContact CZ2-CD1 3.79Å; W740-Y923 HydrophobicContact CZ2-CD1 3.79Å; W740-Y923 AromaticContact CZ2-CE1 3.99Å; W740-Y923 HydrophobicContact CZ2-CE1 3.99Å; E770-Y923 WeakPolarHBondContact OE1-CE1 3.45Å; E770-Y923 VanDerWaalsContact OE1-CZ 3.25Å; E770-Y923 PolarHBondContact OE1-OH 2.96Å; E770-Y923 PolarHBondContact OE2-OH 3.42Å; N802-Y923 WeakPolarHBondContact ND2-CE2 3.42Å; N802-Y923 PolarHBondContact ND2-OH 3.38Å; R803-Y923 HydrophobicContact CB-CD2 4.06Å; R803-Y923 HydrophobicContact CB-CE2 4.01Å; R803-Y923 HydrophobicContact CG-CD2 4.1Å; L805-Y923 HydrophobicContact CD2-CD1 3.63Å; L805-Y923 HydrophobicContact CD2-CD2 4.35Å; L805-Y923 HydrophobicContact CD2-CE1 4.2Å; L805-Y923 HydrophobicContact CD2-CG 3.72Å; S881-Y923 PolarHBondContact OG-OH 3.02Å; A915-Y923 CarbonylContact C-O 3.58Å; A915-Y923 WeakPolarHBondContact CA-O 3.34Å; M916-Y923 PolarHBondContact N-O 3.36Å; M916-Y923 PolarHBondContact O-N 3.33Å; N921-Y923 PolarHBondContact O-N 2.96Å |
| 924 | I | 85.2 | Confident | 77.5 | Confident | 98 Ų | 98 | 73.1 Ų | 73.1 | 50% | 0.503 | 42% | 0.422 | S | S | . | . | trans | -104.4 | 131 | 173.6 | -59.7 | 173.1 | 0 | 0 | 0 | 107.3 | A915 L926 | A915-I924 HydrophobicContact CB-CD1 4.31Å; A915-I924 HydrophobicContact CB-CG1 3.58Å; I924-L926 PolarHBondContact O-N 3.16Å | ||
| 925 | P | 80.9 | Confident | 77.8 | Confident | 7 Ų | 7 | 71.4 Ų | 71.4 | 5% | 0.045 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 140.7 | 172.2 | -15.7 | 21.5 | 0 | 0 | 0 | 111.1 | W740 E744 E770 Q914 S927 | W740-P925 HydrophobicContact CH2-CG 4.27Å; W740-P925 HydrophobicContact CZ2-CB 4.38Å; W740-P925 HydrophobicContact CZ2-CG 3.41Å; W740-P925 VanDerWaalsContact CZ2-CG 3.41Å; E744-P925 HydrophobicContact CB-CG 4.43Å; E744-P925 HydrophobicContact CG-CG 3.94Å; E770-P925 VanDerWaalsContact OE2-CA 3.23Å; E770-P925 WeakPolarHBondContact OE2-CA 3.24Å; E770-P925 WeakPolarHBondContact OE2-CB 3.46Å; Q914-P925 WeakPolarHBondContact O-CD 3.4Å; P925-S927 PolarHBondContact O-N 2.9Å |
| 926 | L | 77.8 | Confident | 78.1 | Confident | 70 Ų | 70 | 70.7 Ų | 70.7 | 37% | 0.366 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -73 | 133.6 | 177.3 | -69.4 | 171.8 | 0 | 0 | 0 | 109.6 | T768 E770 N802 K883 I924 | T768-L926 WeakPolarHBondContact CB-O 3.34Å; T768-L926 WeakPolarHBondContact CG2-O 3.41Å; E770-L926 PolarHBondContact OE2-N 3.28Å; N802-L926 WeakPolarHBondContact ND2-CD1 3.46Å; K883-L926 HydrophobicContact CB-CD1 4.28Å; K883-L926 HydrophobicContact CD-CD1 3.85Å; I924-L926 PolarHBondContact O-N 3.16Å |
| 927 | S | 76.9 | Confident | 78.2 | Confident | 99 Ų | 99 | 78.6 Ų | 78.6 | 69% | 0.692 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 142.6 | 165.5 | 58.4 | 0 | 0 | 0 | 0 | 109.5 | P925 | P925-S927 PolarHBondContact O-N 2.9Š|
| 928 | L | 78.6 | Confident | 78.4 | Confident | 32 Ų | 32 | 81.8 Ų | 81.8 | 17% | 0.168 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 143.2 | 167.5 | -73.1 | 168.4 | 0 | 0 | 0 | 109.1 | E767 Q889 I892 S930 | E767-L928 WeakPolarHBondContact O-CD1 3.36Å; Q889-L928 HydrophobicContact CB-CD2 4.45Å; I892-L928 HydrophobicContact CB-CD2 4.39Å; I892-L928 HydrophobicContact CG2-CD1 3.71Å; I892-L928 HydrophobicContact CG2-CD2 4.17Å; L928-S930 PolarHBondContact O-N 3.07Å |
| 929 | P | 78.1 | Confident | 78.8 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 30% | 0.299 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 138.8 | 179.2 | 20.6 | -29.9 | 0 | 0 | 0 | 110.4 | Q889 A893 G931 | Q889-P929 HydrophobicContact CB-CG 4.27Å; A893-P929 HydrophobicContact CB-CG 3.99Å; A893-P929 WeakPolarHBondContact CB-O 3.42Å; P929-G931 PolarHBondContact O-N 3.43Å |
| 930 | S | 68.8 | Low | 79.5 | Confident | 96 Ų | 96 | 74 Ų | 74 | 67% | 0.671 | 41% | 0.413 | S | S | * | . | trans | -63.6 | 99 | 170.1 | 54.2 | 0 | 0 | 0 | 0 | 107.9 | L928 N932 | L928-S930 PolarHBondContact O-N 3.07Å; S930-N932 VanDerWaalsContact C-N 3.29Å; S930-N932 PolarHBondContact O-N 2.75Å | ||
| 931 | G | 64.1 | Low | 80.1 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 7% | 0.072 | 37% | 0.368 | C | S | . | . | trans | -69.8 | 90.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | N897 P929 | N897-G931 VanDerWaalsContact CG-O 3.24Å; N897-G931 WeakPolarHBondContact ND2-CA 3.17Å; N897-G931 PolarHBondContact ND2-N 2.8Å; N897-G931 PolarHBondContact ND2-O 3.38Å; N897-G931 PolarHBondContact OD1-O 2.89Å; P929-G931 PolarHBondContact O-N 3.43Å | ||
| 932 | N | 62.4 | Low | 80.4 | Confident | 140 Ų | 140 | 63.2 Ų | 63.2 | 75% | 0.749 | 36% | 0.356 | S | S | * | . | trans | -77.4 | -13.7 | 174.6 | -70.9 | -23 | 0 | 0 | 0 | 111.7 | S930 S934 | S930-N932 VanDerWaalsContact C-N 3.29Å; S930-N932 PolarHBondContact O-N 2.75Å; N932-S934 PolarHBondContact O-N 3.47Å | ||
| 933 | N | 69.3 | Low | 80.5 | Confident | 117 Ų | 117 | 65 Ų | 65 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | trans | -85.5 | 96.7 | 177.7 | -72 | -14.5 | 0 | 0 | 0 | 110.1 | L935 | N933-L935 PolarHBondContact O-N 3.18Š| ||
| 934 | S | 77.8 | Confident | 80.6 | Confident | 55 Ų | 55 | 64.6 Ų | 64.6 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | trans | -67.6 | 115.3 | 170.2 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | Q901 N932 L936 | Q901-S934 PolarHBondContact OE1-OG 3.43Å; N932-S934 PolarHBondContact O-N 3.47Å; S934-L936 PolarHBondContact O-N 3.32Å; S934-L936 PolarHBondContact OG-O 3Å | ||
| 935 | L | 86.1 | Confident | 80.6 | Confident | 66 Ų | 66 | 60 Ų | 60 | 35% | 0.346 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -63.1 | -26.5 | 174.3 | -68.8 | -177.1 | 0 | 0 | 0 | 112.6 | D894 N933 I1049 P1053 | D894-L935 HydrophobicContact CB-CD1 3.86Å; D894-L935 HydrophobicContact CB-CG 4.23Å; N933-L935 PolarHBondContact O-N 3.18Å; L935-I1049 HydrophobicContact CB-CG2 3.77Å; L935-I1049 HydrophobicContact CD1-CG2 4.34Å; L935-P1053 HydrophobicContact CD1-CG 3.92Å |
| 936 | L | 89.9 | Confident | 80.4 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -155.7 | 140.2 | -174.4 | -175.6 | 68.4 | 0 | 0 | 0 | 109.8 | F898 Q902 S934 S940 I1046 | F898-L936 HydrophobicContact CE2-CB 4.45Å; F898-L936 HydrophobicContact CE2-CD2 4.26Å; Q902-L936 PolarHBondContact NE2-O 2.96Å; S934-L936 PolarHBondContact O-N 3.32Å; S934-L936 PolarHBondContact OG-O 3Å; L936-S940 VanDerWaalsContact CD2-CB 3.47Å; L936-I1046 HydrophobicContact CD1-CG1 4.24Å; L936-I1046 HydrophobicContact CD2-CB 4.3Å; L936-I1046 HydrophobicContact CD2-CD1 4.14Å; L936-I1046 HydrophobicContact CD2-CG1 3.85Å; L936-I1046 HydrophobicContact CD2-CG2 3.65Å |
| 937 | K | 88.3 | Confident | 80.5 | Confident | 168 Ų | 168 | 62.1 Ų | 62.1 | 73% | 0.73 | 36% | 0.356 | S | S | * | . | trans | -48.1 | 135.8 | 177.7 | -68.7 | -179.9 | -178.8 | 174.8 | 0 | 111 | Q902 S940 | Q902-K937 PolarHBondContact NE2-O 2.93Å; K937-S940 VanDerWaalsContact O-CB 3.29Å; K937-S940 WeakPolarHBondContact O-CB 3.21Å; K937-S940 PolarHBondContact O-N 2.83Å; K937-S940 PolarHBondContact O-OG 2.83Å | ||
| 938 | P | 86.6 | Confident | 80.9 | Confident | 78 Ų | 78 | 57.6 Ų | 57.6 | 51% | 0.506 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 143.4 | -179.4 | -27.8 | 34.7 | 0 | 0 | 0 | 112.8 | Q901 S940 | Q901-P938 HydrophobicContact CB-CB 4.39Å; P938-S940 PolarHBondContact O-N 2.86Å |
| 939 | N | 85.5 | Confident | 81 | Confident | 67 Ų | 67 | 58.8 Ų | 58.8 | 36% | 0.358 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 13.4 | -177 | -61.8 | -64.8 | 0 | 0 | 0 | 116.2 | Q901 I941 R942 V943 | Q901-N939 PolarHBondContact O-N 2.78Å; N939-I941 VanDerWaalsContact C-N 3.29Å; N939-I941 PolarHBondContact O-N 2.75Å; N939-R942 HydrophobicContact CB-CB 4.26Å; N939-R942 WeakPolarHBondContact O-CB 3.35Å; N939-R942 PolarHBondContact O-N 2.86Å; N939-R942 VanDerWaalsContact O-N 3.08Å; N939-V943 WeakPolarHBondContact O-CG2 3.41Å; N939-V943 PolarHBondContact O-N 3.16Å |
| 940 | S | 90.5 | Very high | 81.4 | Confident | 27 Ų | 27 | 57.7 Ų | 57.7 | 19% | 0.189 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -53.4 | -43 | 175 | -84.9 | 0 | 0 | 0 | 0 | 113.2 | L936 K937 P938 R942 V943 L944 | L936-S940 VanDerWaalsContact CD2-CB 3.47Å; K937-S940 VanDerWaalsContact O-CB 3.29Å; K937-S940 WeakPolarHBondContact O-CB 3.21Å; K937-S940 PolarHBondContact O-N 2.83Å; K937-S940 PolarHBondContact O-OG 2.83Å; P938-S940 PolarHBondContact O-N 2.86Å; S940-R942 PolarHBondContact O-N 3.42Å; S940-V943 PolarHBondContact O-N 3.05Å; S940-L944 VanDerWaalsContact O-CB 3.31Å; S940-L944 WeakPolarHBondContact O-CB 3.47Å; S940-L944 PolarHBondContact O-N 2.82Å |
| 941 | I | 89.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 175.5 | -71.4 | 177.8 | 0 | 0 | 0 | 110.4 | F898 Q902 F903 N939 V943 L944 L945 I1046 L1073 | F898-I941 HydrophobicContact CE1-CD1 3.77Å; F898-I941 HydrophobicContact CZ-CD1 3.67Å; Q902-I941 HydrophobicContact CB-CD1 4.1Å; Q902-I941 HydrophobicContact CG-CD1 4.31Å; F903-I941 HydrophobicContact CE1-CD1 3.85Å; F903-I941 HydrophobicContact CE1-CG2 4.14Å; F903-I941 HydrophobicContact CE2-CD1 4.41Å; F903-I941 HydrophobicContact CZ-CD1 3.55Å; N939-I941 VanDerWaalsContact C-N 3.29Å; N939-I941 PolarHBondContact O-N 2.75Å; I941-V943 PolarHBondContact O-N 2.79Å; I941-L944 PolarHBondContact O-N 2.92Å; I941-L945 HydrophobicContact CG2-CD1 3.64Å; I941-L945 HydrophobicContact CG2-CG 4.07Å; I941-L945 WeakPolarHBondContact O-CB 3.19Å; I941-L945 VanDerWaalsContact O-CG 3.3Å; I941-L945 WeakPolarHBondContact O-CG 3.31Å; I941-L945 PolarHBondContact O-N 3.44Å; I941-I1046 HydrophobicContact CD1-CG2 4.01Å; I941-I1046 HydrophobicContact CG1-CG2 3.61Å; I941-L1073 HydrophobicContact CG2-CD1 4.06Å |
| 942 | R | 84.1 | Confident | 83.4 | Confident | 75 Ų | 75 | 53.8 Ų | 53.8 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | -179.5 | -170.3 | -171.7 | -67.6 | -110.8 | 7.1 | 111.9 | N939 S940 L944 G946 F1076 | N939-R942 HydrophobicContact CB-CB 4.26Å; N939-R942 WeakPolarHBondContact O-CB 3.35Å; N939-R942 PolarHBondContact O-N 2.86Å; N939-R942 VanDerWaalsContact O-N 3.08Å; S940-R942 PolarHBondContact O-N 3.42Å; R942-L944 VanDerWaalsContact C-N 3.34Å; R942-G946 PolarHBondContact O-N 2.92Å; R942-F1076 HydrophobicContact CB-CE1 4.28Å; R942-F1076 HydrophobicContact CG-CE1 4.4Å |
| 943 | V | 84.5 | Confident | 84.7 | Confident | 67 Ų | 67 | 47.2 Ų | 47.2 | 41% | 0.406 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | N939 S940 I941 G946 N947 | N939-V943 WeakPolarHBondContact O-CG2 3.41Å; N939-V943 PolarHBondContact O-N 3.16Å; S940-V943 PolarHBondContact O-N 3.05Å; I941-V943 PolarHBondContact O-N 2.79Å; V943-G946 PolarHBondContact O-N 3.17Å; V943-N947 PolarHBondContact O-N 3.05Å; V943-N947 PolarHBondContact O-ND2 2.68Å |
| 944 | L | 87.5 | Confident | 85.7 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.1 | -49.4 | 179.5 | -175.2 | 60.6 | 0 | 0 | 0 | 111.5 | S940 I941 R942 G946 N947 M948 A1039 Q1042 M1043 I1046 | S940-L944 VanDerWaalsContact O-CB 3.31Å; S940-L944 WeakPolarHBondContact O-CB 3.47Å; S940-L944 PolarHBondContact O-N 2.82Å; I941-L944 PolarHBondContact O-N 2.92Å; R942-L944 VanDerWaalsContact C-N 3.34Å; L944-G946 VanDerWaalsContact C-N 3.28Å; L944-G946 PolarHBondContact O-N 3.47Å; L944-N947 PolarHBondContact O-N 3.16Å; L944-N947 VanDerWaalsContact O-N 3.09Å; L944-M948 HydrophobicContact CD2-CE 4.26Å; L944-M948 HydrophobicContact CG-CE 4.05Å; L944-M948 WeakPolarHBondContact O-CG 3.15Å; L944-M948 PolarHBondContact O-N 3.47Å; L944-M948 VanDerWaalsContact O-N 3.14Å; L944-A1039 HydrophobicContact CD1-CB 3.79Å; L944-Q1042 HydrophobicContact CD1-CB 4.25Å; L944-Q1042 HydrophobicContact CD2-CB 3.98Å; L944-M1043 HydrophobicContact CB-CE 4.46Å; L944-M1043 HydrophobicContact CD2-CB 3.82Å; L944-M1043 HydrophobicContact CD2-CE 3.8Å; L944-M1043 HydrophobicContact CD2-SD 4.25Å; L944-M1043 HydrophobicContact CG-CE 4.15Å; L944-I1046 HydrophobicContact CD2-CD1 3.68Å |
| 945 | L | 86.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.9 | -42.3 | 176.1 | -72.4 | 177.6 | 0 | 0 | 0 | 111.4 | I941 N947 M948 L953 L956 M1043 F1076 I1077 E1080 R1120 | I941-L945 HydrophobicContact CG2-CD1 3.64Å; I941-L945 HydrophobicContact CG2-CG 4.07Å; I941-L945 WeakPolarHBondContact O-CB 3.19Å; I941-L945 VanDerWaalsContact O-CG 3.3Å; I941-L945 WeakPolarHBondContact O-CG 3.31Å; I941-L945 PolarHBondContact O-N 3.44Å; L945-N947 PolarHBondContact O-N 2.95Å; L945-M948 HydrophobicContact CD2-SD 3.94Å; L945-M948 WeakPolarHBondContact O-CB 3.5Å; L945-M948 PolarHBondContact O-N 3.22Å; L945-M948 VanDerWaalsContact O-N 3.08Å; L945-L953 HydrophobicContact CD2-CD2 4.07Å; L945-L956 HydrophobicContact CD2-CD1 3.79Å; L945-M1043 HydrophobicContact CD2-CE 3.53Å; L945-M1043 HydrophobicContact CG-CE 3.8Å; L945-F1076 HydrophobicContact CD1-CD1 4.46Å; L945-I1077 HydrophobicContact CD1-CG1 3.98Å; L945-I1077 HydrophobicContact CD2-CG1 3.92Å; L945-E1080 HydrophobicContact CB-CB 4.43Å; L945-E1080 HydrophobicContact CB-CG 4.02Å; L945-E1080 HydrophobicContact CD1-CG 4.1Å; L945-R1120 PolarHBondContact O-NH1 3.35Å; L945-R1120 PolarHBondContact O-NH2 3.25Å |
| 946 | G | 77 | Confident | 86.6 | Confident | 22 Ų | 22 | 36.4 Ų | 36.4 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59 | -31.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R942 V943 L944 R1120 | R942-G946 PolarHBondContact O-N 2.92Å; V943-G946 PolarHBondContact O-N 3.17Å; L944-G946 VanDerWaalsContact C-N 3.28Å; L944-G946 PolarHBondContact O-N 3.47Å; G946-R1120 VanDerWaalsContact C-NH2 3.31Å; G946-R1120 PolarHBondContact O-NH2 3.07Å |
| 947 | N | 78.9 | Confident | 86.8 | Confident | 101 Ų | 101 | 35 Ų | 35 | 54% | 0.54 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -86.4 | -15.4 | 177 | -66 | -24.1 | 0 | 0 | 0 | 113.9 | V943 L944 L945 | V943-N947 PolarHBondContact O-N 3.05Å; V943-N947 PolarHBondContact O-ND2 2.68Å; L944-N947 PolarHBondContact O-N 3.16Å; L944-N947 VanDerWaalsContact O-N 3.09Å; L945-N947 PolarHBondContact O-N 2.95Å |
| 948 | M | 84.9 | Confident | 87 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | trans | -73.6 | 146.8 | 179.7 | -76.5 | 176 | 166.3 | 0 | 0 | 112.2 | L944 L945 E952 L956 A1039 I1040 M1043 R1120 | L944-M948 HydrophobicContact CD2-CE 4.26Å; L944-M948 HydrophobicContact CG-CE 4.05Å; L944-M948 WeakPolarHBondContact O-CG 3.15Å; L944-M948 PolarHBondContact O-N 3.47Å; L944-M948 VanDerWaalsContact O-N 3.14Å; L945-M948 HydrophobicContact CD2-SD 3.94Å; L945-M948 WeakPolarHBondContact O-CB 3.5Å; L945-M948 PolarHBondContact O-N 3.22Å; L945-M948 VanDerWaalsContact O-N 3.08Å; M948-E952 WeakPolarHBondContact CA-OE2 3.4Å; M948-E952 HydrophobicContact CB-CB 4.02Å; M948-E952 WeakPolarHBondContact CB-OE2 3.23Å; M948-E952 HydrophobicContact CG-CB 4.14Å; M948-E952 HydrophobicContact SD-CB 4.41Å; M948-L956 HydrophobicContact CE-CD1 4.23Å; M948-L956 HydrophobicContact SD-CD1 3.68Å; M948-A1039 VanDerWaalsContact CE-C 3.46Å; M948-A1039 HydrophobicContact CE-CB 3.9Å; M948-A1039 WeakPolarHBondContact CE-O 3.48Å; M948-A1039 HydrophobicContact CG-CB 3.94Å; M948-I1040 HydrophobicContact CE-CD1 3.94Å; M948-I1040 HydrophobicContact CE-CG1 4.5Å; M948-M1043 HydrophobicContact CE-CB 3.68Å; M948-M1043 HydrophobicContact CE-CE 4.1Å; M948-M1043 HydrophobicContact CE-CG 4.29Å; M948-M1043 HydrophobicContact SD-CE 4.34Å; M948-R1120 PolarHBondContact O-NH1 3.07Å; M948-R1120 PolarHBondContact O-NH2 2.81Å | ||
| 949 | N | 81.8 | Confident | 87.2 | Confident | 56 Ų | 56 | 23.5 Ų | 23.5 | 30% | 0.299 | 13% | 0.128 | S | C | . | . | trans | -85.9 | 174.8 | 171.5 | 68.9 | 47.8 | 0 | 0 | 0 | 112 | L951 E952 L953 L1035 | N949-L951 VanDerWaalsContact C-N 3.29Å; N949-L951 PolarHBondContact O-N 3.3Å; N949-L951 WeakPolarHBondContact OD1-CA 3.31Å; N949-L951 WeakPolarHBondContact OD1-CB 3.35Å; N949-L951 PolarHBondContact OD1-N 3.14Å; N949-E952 PolarHBondContact N-OE2 3.39Å; N949-E952 PolarHBondContact O-N 2.82Å; N949-E952 PolarHBondContact OD1-N 3.47Å; N949-L953 WeakPolarHBondContact O-CG 3.19Å; N949-L953 PolarHBondContact O-N 2.97Å; N949-L953 VanDerWaalsContact O-N 3.12Å; N949-L1035 PolarHBondContact ND2-O 2.81Å | ||
| 950 | L | 85.1 | Confident | 87.6 | Confident | 24 Ų | 24 | 20.4 Ų | 20.4 | 13% | 0.126 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.6 | -26.6 | -179.5 | -75.1 | 174.3 | 0 | 0 | 0 | 113.8 | L953 N954 V1081 R1120 T1140 R1206 | L950-L953 HydrophobicContact CD2-CD1 3.89Å; L950-N954 WeakPolarHBondContact O-CB 3.34Å; L950-N954 PolarHBondContact O-N 3.38Å; L950-V1081 HydrophobicContact CD2-CG1 4.27Å; L950-R1120 HydrophobicContact CD2-CB 4.28Å; L950-T1140 HydrophobicContact CD2-CG2 4.17Å; L950-R1206 HydrophobicContact CD1-CG 4.06Å |
| 951 | L | 86.7 | Confident | 87.8 | Confident | 19 Ų | 19 | 20.8 Ų | 20.8 | 10% | 0.099 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70 | -40.6 | 176.9 | -57.2 | 168.1 | 0 | 0 | 0 | 110.8 | N949 N954 K955 L1035 Y1143 C1172 | N949-L951 VanDerWaalsContact C-N 3.29Å; N949-L951 PolarHBondContact O-N 3.3Å; N949-L951 WeakPolarHBondContact OD1-CA 3.31Å; N949-L951 WeakPolarHBondContact OD1-CB 3.35Å; N949-L951 PolarHBondContact OD1-N 3.14Å; L951-N954 WeakPolarHBondContact O-CB 3.32Å; L951-N954 PolarHBondContact O-N 3.12Å; L951-K955 PolarHBondContact O-N 2.97Å; L951-L1035 HydrophobicContact CD1-CB 4.26Å; L951-Y1143 HydrophobicContact CD2-CD1 3.64Å; L951-Y1143 HydrophobicContact CD2-CE1 3.74Å; L951-C1172 WeakPolarHBondContact CD1-SG 3.44Å |
| 952 | E | 88.4 | Confident | 87.9 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.8 | -41.5 | 175.7 | -68.2 | 171.1 | 142.4 | 0 | 0 | 110.9 | M948 N949 K955 L956 I1036 T1037 I1040 | M948-E952 WeakPolarHBondContact CA-OE2 3.4Å; M948-E952 HydrophobicContact CB-CB 4.02Å; M948-E952 WeakPolarHBondContact CB-OE2 3.23Å; M948-E952 HydrophobicContact CG-CB 4.14Å; M948-E952 HydrophobicContact SD-CB 4.41Å; N949-E952 PolarHBondContact N-OE2 3.39Å; N949-E952 PolarHBondContact O-N 2.82Å; N949-E952 PolarHBondContact OD1-N 3.47Å; E952-K955 WeakPolarHBondContact O-CB 3.4Å; E952-K955 PolarHBondContact O-N 3.04Å; E952-L956 WeakPolarHBondContact O-CG 3.47Å; E952-L956 PolarHBondContact O-N 2.87Å; E952-I1036 HydrophobicContact CG-CG2 4.29Å; E952-T1037 WeakPolarHBondContact OE1-CA 3.01Å; E952-T1037 VanDerWaalsContact OE1-CB 3.25Å; E952-T1037 WeakPolarHBondContact OE1-CB 3.3Å; E952-T1037 WeakPolarHBondContact OE1-CG2 3.33Å; E952-T1037 PolarHBondContact OE1-N 2.97Å; E952-T1037 PolarHBondContact OE1-OG1 3.38Å; E952-I1040 HydrophobicContact CB-CD1 3.86Å; E952-I1040 HydrophobicContact CB-CG1 4.11Å; E952-I1040 HydrophobicContact CG-CD1 4.27Å; E952-I1040 HydrophobicContact CG-CG1 3.95Å |
| 953 | L | 89.6 | Confident | 88.3 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 173.4 | -64.1 | 173 | 0 | 0 | 0 | 112.9 | L945 N949 L950 L956 L957 I1077 V1081 R1120 | L945-L953 HydrophobicContact CD2-CD2 4.07Å; N949-L953 WeakPolarHBondContact O-CG 3.19Å; N949-L953 PolarHBondContact O-N 2.97Å; N949-L953 VanDerWaalsContact O-N 3.12Å; L950-L953 HydrophobicContact CD2-CD1 3.89Å; L953-L956 PolarHBondContact O-N 3.08Å; L953-L957 WeakPolarHBondContact O-CB 3.42Å; L953-L957 PolarHBondContact O-N 2.93Å; L953-I1077 HydrophobicContact CD2-CG2 3.72Å; L953-V1081 HydrophobicContact CB-CG2 4.1Å; L953-V1081 HydrophobicContact CD1-CB 4.19Å; L953-V1081 HydrophobicContact CD1-CG2 3.44Å; L953-V1081 VanDerWaalsContact CD1-CG2 3.44Å; L953-V1081 HydrophobicContact CD2-CG2 4.41Å; L953-V1081 HydrophobicContact CG-CG2 4.21Å; L953-R1120 VanDerWaalsContact CG-NH1 3.35Å |
| 954 | N | 90.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -54.6 | -56.4 | 169.2 | 168.4 | -87.1 | 0 | 0 | 0 | 108.2 | L950 L951 L956 L957 F958 R959 T1140 Q1141 | L950-N954 WeakPolarHBondContact O-CB 3.34Å; L950-N954 PolarHBondContact O-N 3.38Å; L951-N954 WeakPolarHBondContact O-CB 3.32Å; L951-N954 PolarHBondContact O-N 3.12Å; N954-L956 PolarHBondContact O-N 2.71Å; N954-L957 PolarHBondContact O-N 3.29Å; N954-F958 CarbonylContact C-O 3.53Å; N954-F958 VanDerWaalsContact C-O 3.28Å; N954-F958 CarbonylContact O-C 3.42Å; N954-F958 WeakPolarHBondContact O-CA 3.11Å; N954-F958 PolarHBondContact O-N 2.61Å; N954-F958 PolarHBondContact OD1-O 3.28Å; N954-R959 WeakPolarHBondContact OD1-CD 3.37Å; N954-T1140 PolarHBondContact ND2-O 3.25Å; N954-Q1141 PolarHBondContact ND2-O 3.1Å |
| 955 | K | 90.3 | Very high | 88.8 | Confident | 9 Ų | 9 | 19 Ų | 19 | 4% | 0.039 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -52.9 | -35.8 | 177.8 | -168.4 | 68.4 | 170.2 | 83.3 | 0 | 113.9 | L951 E952 R959 E964 D967 R1024 L1025 I1040 | L951-K955 PolarHBondContact O-N 2.97Å; E952-K955 WeakPolarHBondContact O-CB 3.4Å; E952-K955 PolarHBondContact O-N 3.04Å; K955-R959 HydrophobicContact CD-CG 3.8Å; K955-E964 IonicContact NZ-OE1 3.35Å; K955-E964 PolarHBondContact NZ-OE1 2.62Å; K955-E964 IonicContact NZ-OE2 2.75Å; K955-E964 PolarHBondContact NZ-OE2 3.06Å; K955-D967 VanDerWaalsContact CE-OD2 3.29Å; K955-D967 WeakPolarHBondContact CE-OD2 3.3Å; K955-R1024 VanDerWaalsContact NZ-NH2 3.12Å; K955-R1024 PolarHBondContact O-NH1 3.3Å; K955-R1024 VanDerWaalsContact O-NH1 3.13Å; K955-R1024 PolarHBondContact O-NH2 2.94Å; K955-L1025 HydrophobicContact CG-CD2 4.18Å; K955-I1040 HydrophobicContact CB-CD1 4.42Å |
| 956 | L | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70 | -47.2 | 175.6 | -66.1 | -176.9 | 0 | 0 | 0 | 112.6 | L945 M948 E952 L953 N954 G986 F987 L1025 I1040 M1043 I1077 | L945-L956 HydrophobicContact CD2-CD1 3.79Å; M948-L956 HydrophobicContact CE-CD1 4.23Å; M948-L956 HydrophobicContact SD-CD1 3.68Å; E952-L956 WeakPolarHBondContact O-CG 3.47Å; E952-L956 PolarHBondContact O-N 2.87Å; L953-L956 PolarHBondContact O-N 3.08Å; N954-L956 PolarHBondContact O-N 2.71Å; L956-G986 CarbonylContact O-C 3.55Å; L956-G986 VanDerWaalsContact O-CA 3.23Å; L956-G986 WeakPolarHBondContact O-CA 3.41Å; L956-F987 HydrophobicContact CB-CD2 4.42Å; L956-F987 HydrophobicContact CD2-CE2 4.47Å; L956-F987 WeakPolarHBondContact O-CD2 3.38Å; L956-F987 PolarHBondContact O-N 3.19Å; L956-L1025 HydrophobicContact CD2-CD1 3.44Å; L956-L1025 VanDerWaalsContact CD2-CD1 3.44Å; L956-L1025 HydrophobicContact CD2-CD2 3.96Å; L956-L1025 HydrophobicContact CD2-CG 4.35Å; L956-I1040 HydrophobicContact CD2-CD1 3.9Å; L956-I1040 HydrophobicContact CG-CD1 4.06Å; L956-M1043 HydrophobicContact CD1-CE 4.33Å; L956-M1043 HydrophobicContact CD1-CG 4.35Å; L956-M1043 HydrophobicContact CD2-CG 3.91Å; L956-I1077 HydrophobicContact CB-CD1 4.25Å; L956-I1077 HydrophobicContact CD1-CD1 4.25Å |
| 957 | L | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -89.8 | -46.3 | -172.2 | -70.9 | 177.2 | 0 | 0 | 0 | 113.7 | L953 N954 G986 F987 Q988 T1074 I1077 K1078 V1081 | L953-L957 WeakPolarHBondContact O-CB 3.42Å; L953-L957 PolarHBondContact O-N 2.93Å; N954-L957 PolarHBondContact O-N 3.29Å; L957-G986 CarbonylContact O-C 3.6Å; L957-G986 WeakPolarHBondContact O-CA 3.26Å; L957-F987 HydrophobicContact CD2-CB 4.47Å; L957-F987 PolarHBondContact O-N 3.36Å; L957-Q988 VanDerWaalsContact O-CB 3.22Å; L957-Q988 WeakPolarHBondContact O-CB 3.08Å; L957-Q988 PolarHBondContact O-N 2.98Å; L957-T1074 HydrophobicContact CD2-CG2 3.88Å; L957-I1077 HydrophobicContact CD1-CB 4.4Å; L957-I1077 HydrophobicContact CD1-CG2 3.65Å; L957-I1077 HydrophobicContact CD2-CB 3.98Å; L957-I1077 HydrophobicContact CD2-CD1 4.21Å; L957-I1077 HydrophobicContact CD2-CG2 3.86Å; L957-I1077 HydrophobicContact CG-CB 4.27Å; L957-I1077 HydrophobicContact CG-CG2 3.58Å; L957-K1078 HydrophobicContact CD1-CG 4.17Å; L957-V1081 HydrophobicContact CD1-CG2 3.95Å |
| 958 | F | 92.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 16.6 Ų | 16.6 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | trans | -132.7 | 121.6 | -161.6 | -48.8 | -67.3 | 0 | 0 | 0 | 110.8 | N954 Y984 Q988 V1137 T1140 Q1141 | N954-F958 CarbonylContact C-O 3.53Å; N954-F958 VanDerWaalsContact C-O 3.28Å; N954-F958 CarbonylContact O-C 3.42Å; N954-F958 WeakPolarHBondContact O-CA 3.11Å; N954-F958 PolarHBondContact O-N 2.61Å; N954-F958 PolarHBondContact OD1-O 3.28Å; F958-Y984 HydrophobicContact CD1-CD2 4.09Å; F958-Y984 AromaticContact CD1-CE2 3.89Å; F958-Y984 HydrophobicContact CD1-CE2 3.89Å; F958-Y984 HydrophobicContact CE1-CE2 4.46Å; F958-Q988 HydrophobicContact CD1-CB 3.94Å; F958-Q988 HydrophobicContact CD1-CG 4.09Å; F958-Q988 HydrophobicContact CE1-CB 3.77Å; F958-Q988 HydrophobicContact CE1-CG 3.62Å; F958-V1137 HydrophobicContact CE2-CG1 3.94Å; F958-V1137 HydrophobicContact CZ-CG1 3.6Å; F958-T1140 VanDerWaalsContact CE2-OG1 3.26Å; F958-T1140 WeakPolarHBondContact CE2-OG1 3.35Å; F958-Q1141 HydrophobicContact CB-CG 4.27Å; F958-Q1141 HydrophobicContact CD1-CG 3.69Å; F958-Q1141 HydrophobicContact CD2-CG 4.04Å; F958-Q1141 HydrophobicContact CE1-CG 3.94Å; F958-Q1141 HydrophobicContact CE2-CG 4.31Å; F958-Q1141 HydrophobicContact CG-CG 3.75Å; F958-Q1141 HydrophobicContact CZ-CG 4.28Å | ||
| 959 | R | 92.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.015 | 11% | 0.112 | C | C | . | . | trans | -161.6 | 128.2 | 160.1 | -70.8 | -61.4 | -89.5 | -170.1 | -14.4 | 105.9 | N954 K955 E963 E964 D967 Y984 C985 F1145 | N954-R959 WeakPolarHBondContact OD1-CD 3.37Å; K955-R959 HydrophobicContact CD-CG 3.8Å; R959-E963 WeakPolarHBondContact CA-OE2 3.42Å; R959-E963 HydrophobicContact CB-CB 4.45Å; R959-E963 IonicContact NH1-OE1 2.79Å; R959-E963 PolarHBondContact NH2-O 2.97Å; R959-E964 HydrophobicContact CB-CB 4.38Å; R959-E964 WeakPolarHBondContact CB-OE2 2.86Å; R959-E964 VanDerWaalsContact CG-OE2 3.27Å; R959-E964 WeakPolarHBondContact CG-OE2 3.47Å; R959-D967 IonicContact CZ-OD2 3.1Å; R959-D967 IonicContact NE-OD2 2.68Å; R959-D967 IonicContact NH2-OD1 3.64Å; R959-D967 PolarHBondContact NH2-OD1 3.46Å; R959-D967 IonicContact NH2-OD2 2.75Å; R959-D967 PolarHBondContact NH2-OD2 3.23Å; R959-Y984 CarbonylContact O-C 3.54Å; R959-Y984 WeakPolarHBondContact O-CA 3.33Å; R959-C985 HydrophobicContact CB-CB 4.17Å; R959-C985 PolarHBondContact O-N 3.25Å; R959-F1145 PolarHBondContact NH1-O 3.24Å; R959-F1145 PolarHBondContact NH2-O 3.45Å | ||
| 960 | C | 93.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.02 | 14% | 0.135 | C | C | . | . | trans | -77.5 | 169.8 | 168.4 | 79.4 | 0 | 0 | 0 | 0 | 110.3 | S962 E963 E964 A1182 W1611 | C960-S962 VanDerWaalsContact C-N 3.29Å; C960-S962 PolarHBondContact O-N 3.32Å; C960-E963 PolarHBondContact N-OE2 2.97Å; C960-E963 PolarHBondContact O-N 3.21Å; C960-E963 VanDerWaalsContact O-N 3.16Å; C960-E964 PolarHBondContact O-N 3.13Å; C960-A1182 WeakPolarHBondContact SG-CB 3.45Å; C960-W1611 HydrophobicContact CB-CH2 4.44Å; C960-W1611 HydrophobicContact CB-CZ3 4.39Å | ||
| 961 | S | 93.9 | Very high | 89.5 | Confident | 34 Ų | 34 | 22.3 Ų | 22.3 | 24% | 0.238 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -46.3 | -50.4 | 176.6 | -66.7 | 0 | 0 | 0 | 0 | 113.7 | E964 L965 N972 S973 | S961-E964 PolarHBondContact O-N 2.89Å; S961-L965 WeakPolarHBondContact O-CB 3.23Å; S961-L965 VanDerWaalsContact O-CG 3.24Å; S961-L965 WeakPolarHBondContact O-CG 3.37Å; S961-L965 PolarHBondContact O-N 3.05Å; S961-N972 WeakPolarHBondContact CA-OD1 3.27Å; S961-N972 WeakPolarHBondContact CB-OD1 3.2Å; S961-N972 PolarHBondContact OG-OD1 3.01Å; S961-S973 VanDerWaalsContact OG-CB 3.3Å; S961-S973 WeakPolarHBondContact OG-CB 3.49Å; S961-S973 PolarHBondContact OG-OG 3.4Å |
| 962 | S | 91.8 | Very high | 89.8 | Confident | 36 Ų | 36 | 24.2 Ų | 24.2 | 25% | 0.252 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.1 | -45.5 | -179.7 | -74 | 0 | 0 | 0 | 0 | 112.2 | C960 E964 L965 A966 E1183 | C960-S962 VanDerWaalsContact C-N 3.29Å; C960-S962 PolarHBondContact O-N 3.32Å; S962-E964 VanDerWaalsContact C-N 3.34Å; S962-E964 PolarHBondContact O-N 2.89Å; S962-L965 PolarHBondContact O-N 2.73Å; S962-A966 WeakPolarHBondContact O-CB 3.21Å; S962-A966 PolarHBondContact O-N 2.8Å; S962-E1183 WeakPolarHBondContact CA-OE1 3.03Å; S962-E1183 WeakPolarHBondContact CB-OE1 3.47Å; S962-E1183 PolarHBondContact OG-OE1 3.07Å |
| 963 | E | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 178.4 | -63.4 | -176.5 | 114.9 | 0 | 0 | 112.5 | R959 C960 A966 I1146 A1182 R1187 | R959-E963 WeakPolarHBondContact CA-OE2 3.42Å; R959-E963 HydrophobicContact CB-CB 4.45Å; R959-E963 IonicContact NH1-OE1 2.79Å; R959-E963 PolarHBondContact NH2-O 2.97Å; C960-E963 PolarHBondContact N-OE2 2.97Å; C960-E963 PolarHBondContact O-N 3.21Å; C960-E963 VanDerWaalsContact O-N 3.16Å; E963-A966 WeakPolarHBondContact O-CB 3.36Å; E963-I1146 HydrophobicContact CB-CD1 3.68Å; E963-I1146 HydrophobicContact CG-CD1 3.71Å; E963-A1182 HydrophobicContact CG-CB 3.81Å; E963-R1187 IonicContact OE1-CZ 2.66Å; E963-R1187 IonicContact OE1-NH1 2.89Å; E963-R1187 PolarHBondContact OE1-NH1 3.25Å |
| 964 | E | 91.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.6 | -36.6 | 178.6 | -166.3 | 87.3 | -178.7 | 0 | 0 | 111.9 | K955 R959 C960 S961 S962 D967 F971 C985 R1024 | K955-E964 IonicContact NZ-OE1 3.35Å; K955-E964 PolarHBondContact NZ-OE1 2.62Å; K955-E964 IonicContact NZ-OE2 2.75Å; K955-E964 PolarHBondContact NZ-OE2 3.06Å; R959-E964 HydrophobicContact CB-CB 4.38Å; R959-E964 WeakPolarHBondContact CB-OE2 2.86Å; R959-E964 VanDerWaalsContact CG-OE2 3.27Å; R959-E964 WeakPolarHBondContact CG-OE2 3.47Å; C960-E964 PolarHBondContact O-N 3.13Å; S961-E964 PolarHBondContact O-N 2.89Å; S962-E964 VanDerWaalsContact C-N 3.34Å; S962-E964 PolarHBondContact O-N 2.89Å; E964-D967 WeakPolarHBondContact O-CB 3.45Å; E964-D967 PolarHBondContact O-N 2.89Å; E964-F971 HydrophobicContact CG-CB 3.83Å; E964-F971 WeakPolarHBondContact CG-O 3.48Å; E964-C985 HydrophobicContact CB-CB 4.33Å; E964-C985 VanDerWaalsContact CB-SG 3.54Å; E964-C985 HydrophobicContact CG-CB 4.15Å; E964-R1024 IonicContact OE1-CZ 2.7Å; E964-R1024 IonicContact OE1-NE 2.62Å; E964-R1024 PolarHBondContact OE1-NE 2.94Å; E964-R1024 IonicContact OE1-NH2 3.82Å; E964-R1024 PolarHBondContact OE1-NH2 3.16Å; E964-R1024 IonicContact OE2-CZ 3.63Å; E964-R1024 IonicContact OE2-NE 2.66Å; E964-R1024 IonicContact OE2-NH2 3.87Å; E964-R1024 PolarHBondContact OE2-NH2 3.08Å |
| 965 | L | 91.4 | Very high | 90.6 | Very high | 79 Ų | 79 | 30.8 Ų | 30.8 | 41% | 0.414 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.9 | -36.5 | 175.6 | -73 | 168.1 | 0 | 0 | 0 | 111.9 | S961 S962 D967 G968 F971 N972 | S961-L965 WeakPolarHBondContact O-CB 3.23Å; S961-L965 VanDerWaalsContact O-CG 3.24Å; S961-L965 WeakPolarHBondContact O-CG 3.37Å; S961-L965 PolarHBondContact O-N 3.05Å; S962-L965 PolarHBondContact O-N 2.73Å; L965-D967 PolarHBondContact O-N 2.76Å; L965-D967 VanDerWaalsContact O-N 3.14Å; L965-G968 PolarHBondContact O-N 3.46Å; L965-F971 WeakPolarHBondContact CD2-O 3.33Å; L965-N972 HydrophobicContact CD2-CB 4.49Å |
| 966 | A | 87.3 | Confident | 90.9 | Very high | 14 Ų | 14 | 30.4 Ų | 30.4 | 12% | 0.116 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.5 | -24.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S962 E963 G968 I1146 E1183 | S962-A966 WeakPolarHBondContact O-CB 3.21Å; S962-A966 PolarHBondContact O-N 2.8Å; E963-A966 WeakPolarHBondContact O-CB 3.36Å; A966-G968 PolarHBondContact O-N 3.44Å; A966-I1146 HydrophobicContact CB-CG2 3.79Å; A966-E1183 HydrophobicContact CB-CB 4.25Å; A966-E1183 VanDerWaalsContact CB-OE2 3.28Å; A966-E1183 WeakPolarHBondContact CB-OE2 3.4Å |
| 967 | D | 83.8 | Confident | 91 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -11.4 | 177.5 | -69.3 | -27.6 | 0 | 0 | 0 | 112.9 | K955 R959 E964 L965 C969 P1029 | K955-D967 VanDerWaalsContact CE-OD2 3.29Å; K955-D967 WeakPolarHBondContact CE-OD2 3.3Å; R959-D967 IonicContact CZ-OD2 3.1Å; R959-D967 IonicContact NE-OD2 2.68Å; R959-D967 IonicContact NH2-OD1 3.64Å; R959-D967 PolarHBondContact NH2-OD1 3.46Å; R959-D967 IonicContact NH2-OD2 2.75Å; R959-D967 PolarHBondContact NH2-OD2 3.23Å; E964-D967 WeakPolarHBondContact O-CB 3.45Å; E964-D967 PolarHBondContact O-N 2.89Å; L965-D967 PolarHBondContact O-N 2.76Å; L965-D967 VanDerWaalsContact O-N 3.14Å; D967-C969 PolarHBondContact O-N 3.2Å; D967-P1029 HydrophobicContact CB-CB 3.86Å; D967-P1029 HydrophobicContact CB-CG 3.8Å |
| 968 | G | 82 | Confident | 91 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 54% | 0.536 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 11.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L965 A966 | L965-G968 PolarHBondContact O-N 3.46Å; A966-G968 PolarHBondContact O-N 3.44Å |
| 969 | C | 82.6 | Confident | 91.1 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 13% | 0.128 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -88.4 | -2 | -177.5 | -67.3 | 0 | 0 | 0 | 0 | 114 | D967 F971 K1027 | D967-C969 PolarHBondContact O-N 3.2Å; C969-F971 HydrophobicContact CB-CD2 4.07Å; C969-F971 WeakPolarHBondContact O-CD2 3.41Å; C969-K1027 HydrophobicContact CB-CB 4.41Å |
| 970 | N | 84.2 | Confident | 91.1 | Very high | 147 Ų | 147 | 45.6 Ų | 45.6 | 79% | 0.786 | 26% | 0.26 | S | S | * | . | trans | 59.2 | 38.7 | -178.6 | -65.5 | -18.7 | 0 | 0 | 0 | 115 | ||||
| 971 | F | 89.7 | Confident | 91.2 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | trans | -110.3 | 145.4 | 169.3 | -70.8 | -82.5 | 0 | 0 | 0 | 110.8 | E964 L965 C969 Y1020 E1023 R1024 | E964-F971 HydrophobicContact CG-CB 3.83Å; E964-F971 WeakPolarHBondContact CG-O 3.48Å; L965-F971 WeakPolarHBondContact CD2-O 3.33Å; C969-F971 HydrophobicContact CB-CD2 4.07Å; C969-F971 WeakPolarHBondContact O-CD2 3.41Å; F971-Y1020 HydrophobicContact CD1-CD2 4.42Å; F971-Y1020 HydrophobicContact CD1-CE2 4.38Å; F971-E1023 HydrophobicContact CE1-CB 4.17Å; F971-E1023 HydrophobicContact CZ-CB 3.96Å; F971-E1023 WeakPolarHBondContact CZ-O 3.41Å; F971-R1024 HydrophobicContact CB-CB 4.36Å; F971-R1024 HydrophobicContact CD1-CB 3.88Å; F971-R1024 HydrophobicContact CD2-CB 4.19Å; F971-R1024 HydrophobicContact CE1-CB 4.19Å; F971-R1024 HydrophobicContact CE2-CB 4.48Å; F971-R1024 HydrophobicContact CG-CB 3.88Å; F971-R1024 HydrophobicContact CZ-CB 4.48Å | ||
| 972 | N | 91.8 | Very high | 91.3 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 32% | 0.316 | 27% | 0.272 | S | S | . | . | trans | -127.6 | 170 | 177.3 | -165.9 | -2.4 | 0 | 0 | 0 | 108.7 | S961 L965 Y1020 | S961-N972 WeakPolarHBondContact CA-OD1 3.27Å; S961-N972 WeakPolarHBondContact CB-OD1 3.2Å; S961-N972 PolarHBondContact OG-OD1 3.01Å; L965-N972 HydrophobicContact CD2-CB 4.49Å; N972-Y1020 WeakPolarHBondContact O-CE2 3.3Å; N972-Y1020 PolarHBondContact O-OH 3.33Å | ||
| 973 | S | 93.9 | Very high | 91.4 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 152 | 172.5 | 70.7 | 0 | 0 | 0 | 0 | 111.4 | S961 W981 L982 C985 | S961-S973 VanDerWaalsContact OG-CB 3.3Å; S961-S973 WeakPolarHBondContact OG-CB 3.49Å; S961-S973 PolarHBondContact OG-OG 3.4Å; S973-W981 WeakPolarHBondContact O-CZ3 3.41Å; S973-L982 WeakPolarHBondContact CB-O 3.27Å; S973-L982 PolarHBondContact OG-O 3.07Å; S973-L982 VanDerWaalsContact OG-O 3.12Å; S973-C985 WeakPolarHBondContact CA-SG 3.39Å; S973-C985 PolarHBondContact N-SG 2.89Å |
| 974 | Y | 96.4 | Very high | 91.6 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 13% | 0.125 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 133.9 | -176.4 | -160.8 | -93.5 | 0 | 0 | 0 | 111 | I976 L982 H1010 W1016 L1017 Y1020 | Y974-I976 HydrophobicContact CD1-CG1 4.11Å; Y974-L982 WeakPolarHBondContact O-CG 3.37Å; Y974-L982 PolarHBondContact O-N 3.17Å; Y974-H1010 AromaticContact CE1-CD2 3.99Å; Y974-H1010 AromaticContact CE1-NE2 3.46Å; Y974-H1010 WeakPolarHBondContact CE1-NE2 3.17Å; Y974-H1010 AromaticContact CZ-NE2 3.49Å; Y974-H1010 PolarHBondContact OH-CE1 3.17Å; Y974-H1010 PolarHBondContact OH-NE2 3.25Å; Y974-W1016 WeakPolarHBondContact OH-CB 3.19Å; Y974-L1017 HydrophobicContact CD1-CD1 3.6Å; Y974-L1017 HydrophobicContact CD2-CD1 3.85Å; Y974-L1017 HydrophobicContact CE1-CB 4.49Å; Y974-L1017 HydrophobicContact CE1-CD1 3.85Å; Y974-L1017 HydrophobicContact CE2-CD1 4.09Å; Y974-L1017 HydrophobicContact CG-CD1 3.58Å; Y974-Y1020 AromaticContact CD2-CD1 3.58Å; Y974-Y1020 HydrophobicContact CD2-CD1 3.58Å; Y974-Y1020 AromaticContact CD2-CD2 3.84Å; Y974-Y1020 HydrophobicContact CD2-CD2 3.84Å; Y974-Y1020 HydrophobicContact CD2-CE1 4.16Å; Y974-Y1020 HydrophobicContact CD2-CE2 4.38Å; Y974-Y1020 AromaticContact CD2-CG 3.4Å; Y974-Y1020 HydrophobicContact CD2-CG 3.4Å; Y974-Y1020 VanDerWaalsContact CD2-CG 3.4Å; Y974-Y1020 HydrophobicContact CE2-CD1 4.39Å; Y974-Y1020 AromaticContact CE2-CG 3.97Å; Y974-Y1020 HydrophobicContact CE2-CG 3.97Å; Y974-Y1020 HydrophobicContact CG-CD1 4.18Å; Y974-Y1020 HydrophobicContact CG-CE1 4.46Å; Y974-Y1020 HydrophobicContact CG-CG 4.4Å |
| 975 | Q | 96 | Very high | 91.7 | Very high | 104 Ų | 104 | 49.6 Ų | 49.6 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 118.9 | 169.1 | -168.7 | -178.5 | 13.3 | 0 | 0 | 109.7 | P977 G980 W981 | Q975-P977 WeakPolarHBondContact O-CD 3.36Å; Q975-G980 WeakPolarHBondContact CA-O 3.17Å; Q975-W981 HydrophobicContact CB-CD2 3.88Å; Q975-W981 HydrophobicContact CB-CE3 3.86Å; Q975-W981 HydrophobicContact CB-CG 4.49Å; Q975-W981 HydrophobicContact CB-CH2 4.19Å; Q975-W981 HydrophobicContact CB-CZ2 4.19Å; Q975-W981 HydrophobicContact CB-CZ3 4.03Å; Q975-W981 HydrophobicContact CG-CD2 4.09Å; Q975-W981 HydrophobicContact CG-CG 4.35Å; Q975-W981 HydrophobicContact CG-CZ2 4.36Å |
| 976 | I | 95.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 121.3 | 170.8 | -59.9 | 168.6 | 0 | 0 | 0 | 107.3 | Y974 W979 G980 L982 P1006 I1007 | Y974-I976 HydrophobicContact CD1-CG1 4.11Å; I976-W979 HydrophobicContact CB-CB 4.05Å; I976-W979 HydrophobicContact CB-CE3 4.05Å; I976-W979 HydrophobicContact CD1-CD2 4.36Å; I976-W979 HydrophobicContact CD1-CE3 3.75Å; I976-W979 HydrophobicContact CD1-CZ3 4.04Å; I976-W979 HydrophobicContact CG1-CE3 4.3Å; I976-W979 HydrophobicContact CG2-CB 3.87Å; I976-W979 PolarHBondContact O-N 3.32Å; I976-G980 PolarHBondContact N-O 2.97Å; I976-G980 PolarHBondContact O-N 3.06Å; I976-L982 HydrophobicContact CD1-CD2 3.86Å; I976-L982 HydrophobicContact CD1-CG 4.42Å; I976-P1006 HydrophobicContact CG2-CB 4.43Å; I976-I1007 HydrophobicContact CD1-CB 4.16Å; I976-I1007 HydrophobicContact CD1-CD1 3.64Å; I976-I1007 HydrophobicContact CD1-CG1 3.81Å; I976-I1007 HydrophobicContact CG1-CG1 4.34Å; I976-I1007 HydrophobicContact CG2-CB 4.09Å; I976-I1007 HydrophobicContact CG2-CG1 4.34Å |
| 977 | P | 95.7 | Very high | 92.2 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 142.3 | 176.1 | -25.8 | 35.8 | 0 | 0 | 0 | 111.8 | Q975 W979 P1006 H1010 | Q975-P977 WeakPolarHBondContact O-CD 3.36Å; P977-W979 PolarHBondContact O-N 2.93Å; P977-P1006 WeakPolarHBondContact O-CB 3.5Å; P977-H1010 WeakPolarHBondContact CD-ND1 3.46Å |
| 978 | D | 93.9 | Very high | 92.7 | Very high | 160 Ų | 160 | 45.1 Ų | 45.1 | 86% | 0.856 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 15.5 | -178.8 | -50.6 | -43.4 | 0 | 0 | 0 | 115.5 | P1006 | D978-P1006 HydrophobicContact CB-CB 4.36Å; D978-P1006 HydrophobicContact CB-CG 4.5Å |
| 979 | W | 92.9 | Very high | 93.2 | Very high | 87 Ų | 87 | 42.8 Ų | 42.8 | 33% | 0.33 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -56.9 | 177.3 | -174.1 | 81.2 | 0 | 0 | 0 | 113.2 | I976 P977 L982 V993 H1005 P1006 | I976-W979 HydrophobicContact CB-CB 4.05Å; I976-W979 HydrophobicContact CB-CE3 4.05Å; I976-W979 HydrophobicContact CD1-CD2 4.36Å; I976-W979 HydrophobicContact CD1-CE3 3.75Å; I976-W979 HydrophobicContact CD1-CZ3 4.04Å; I976-W979 HydrophobicContact CG1-CE3 4.3Å; I976-W979 HydrophobicContact CG2-CB 3.87Å; I976-W979 PolarHBondContact O-N 3.32Å; P977-W979 PolarHBondContact O-N 2.93Å; W979-L982 HydrophobicContact CH2-CD2 4.28Å; W979-L982 HydrophobicContact CZ3-CD2 3.86Å; W979-V993 HydrophobicContact CH2-CG2 3.6Å; W979-V993 HydrophobicContact CZ2-CG2 3.75Å; W979-V993 HydrophobicContact CZ3-CG2 4.45Å; W979-H1005 AromaticContact CD1-CE1 3.38Å; W979-H1005 AromaticContact CD1-NE2 3.36Å; W979-H1005 AromaticContact CE2-CE1 3.93Å; W979-H1005 AromaticContact CE2-NE2 3.95Å; W979-H1005 AromaticContact CG-CE1 3.93Å; W979-H1005 AromaticContact NE1-CE1 3.35Å; W979-H1005 PolarHBondContact NE1-CE1 2.82Å; W979-H1005 AromaticContact NE1-NE2 3.07Å; W979-H1005 PolarHBondContact NE1-NE2 3.09Å; W979-P1006 HydrophobicContact CB-CB 4.06Å; W979-P1006 HydrophobicContact CB-CG 4.18Å |
| 980 | G | 94 | Very high | 93.7 | Very high | 22 Ų | 22 | 41.9 Ų | 41.9 | 23% | 0.227 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.1 | -169.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q975 I976 | Q975-G980 WeakPolarHBondContact CA-O 3.17Å; I976-G980 PolarHBondContact N-O 2.97Å; I976-G980 PolarHBondContact O-N 3.06Å |
| 981 | W | 94.7 | Very high | 94.1 | Very high | 132 Ų | 132 | 34.9 Ų | 34.9 | 50% | 0.5 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 139.8 | -179.4 | -64.7 | 88.1 | 0 | 0 | 0 | 111.7 | S973 Q975 | S973-W981 WeakPolarHBondContact O-CZ3 3.41Å; Q975-W981 HydrophobicContact CB-CD2 3.88Å; Q975-W981 HydrophobicContact CB-CE3 3.86Å; Q975-W981 HydrophobicContact CB-CG 4.49Å; Q975-W981 HydrophobicContact CB-CH2 4.19Å; Q975-W981 HydrophobicContact CB-CZ2 4.19Å; Q975-W981 HydrophobicContact CB-CZ3 4.03Å; Q975-W981 HydrophobicContact CG-CD2 4.09Å; Q975-W981 HydrophobicContact CG-CG 4.35Å; Q975-W981 HydrophobicContact CG-CZ2 4.36Å |
| 982 | L | 95.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | trans | -71.3 | 143.1 | 165.3 | -63.3 | 179.2 | 0 | 0 | 0 | 110.3 | S973 Y974 I976 W979 Y984 I990 V993 | S973-L982 WeakPolarHBondContact CB-O 3.27Å; S973-L982 PolarHBondContact OG-O 3.07Å; S973-L982 VanDerWaalsContact OG-O 3.12Å; Y974-L982 WeakPolarHBondContact O-CG 3.37Å; Y974-L982 PolarHBondContact O-N 3.17Å; I976-L982 HydrophobicContact CD1-CD2 3.86Å; I976-L982 HydrophobicContact CD1-CG 4.42Å; W979-L982 HydrophobicContact CH2-CD2 4.28Å; W979-L982 HydrophobicContact CZ3-CD2 3.86Å; L982-Y984 WeakPolarHBondContact CB-O 3.21Å; L982-I990 HydrophobicContact CD1-CD1 4.1Å; L982-I990 HydrophobicContact CD1-CG1 3.42Å; L982-I990 VanDerWaalsContact CD1-CG1 3.42Å; L982-V993 HydrophobicContact CD2-CG2 4.3Å | ||
| 983 | V | 94.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 13% | 0.127 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -73.3 | -31.8 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | S989 Q1610 W1611 | V983-S989 WeakPolarHBondContact CG2-OG 3.46Å; V983-Q1610 HydrophobicContact CG1-CB 3.96Å; V983-Q1610 HydrophobicContact CG2-CB 4.12Å; V983-Q1610 WeakPolarHBondContact CG2-O 3.19Å; V983-W1611 HydrophobicContact CB-CD2 3.98Å; V983-W1611 HydrophobicContact CB-CE3 4.34Å; V983-W1611 HydrophobicContact CB-CG 4.47Å; V983-W1611 HydrophobicContact CB-CH2 4.22Å; V983-W1611 HydrophobicContact CB-CZ2 3.89Å; V983-W1611 HydrophobicContact CB-CZ3 4.43Å; V983-W1611 HydrophobicContact CG1-CD2 4.32Å; V983-W1611 HydrophobicContact CG1-CZ2 4Å; V983-W1611 HydrophobicContact CG2-CD2 4.22Å; V983-W1611 HydrophobicContact CG2-CG 4.34Å |
| 984 | Y | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -116.8 | 146.8 | 172.5 | -58.1 | -59.2 | 0 | 0 | 0 | 112.2 | F958 R959 L982 G986 Q988 S989 Q1141 L1178 W1611 | F958-Y984 HydrophobicContact CD1-CD2 4.09Å; F958-Y984 AromaticContact CD1-CE2 3.89Å; F958-Y984 HydrophobicContact CD1-CE2 3.89Å; F958-Y984 HydrophobicContact CE1-CE2 4.46Å; R959-Y984 CarbonylContact O-C 3.54Å; R959-Y984 WeakPolarHBondContact O-CA 3.33Å; L982-Y984 WeakPolarHBondContact CB-O 3.21Å; Y984-G986 VanDerWaalsContact C-N 3.32Å; Y984-Q988 HydrophobicContact CD2-CB 4.18Å; Y984-Q988 HydrophobicContact CD2-CG 4.01Å; Y984-Q988 HydrophobicContact CE2-CG 4.24Å; Y984-S989 WeakPolarHBondContact CB-OG 3.41Å; Y984-S989 WeakPolarHBondContact CD2-OG 3.44Å; Y984-S989 PolarHBondContact N-OG 3.16Å; Y984-Q1141 PolarHBondContact OH-OE1 2.74Å; Y984-L1178 HydrophobicContact CE1-CD1 4.02Å; Y984-W1611 HydrophobicContact CD1-CZ3 4.48Å; Y984-W1611 AromaticContact CE1-CE3 3.76Å; Y984-W1611 HydrophobicContact CE1-CE3 3.76Å; Y984-W1611 AromaticContact CE1-CZ3 3.84Å; Y984-W1611 HydrophobicContact CE1-CZ3 3.84Å; Y984-W1611 HydrophobicContact CE2-CE3 4.46Å; Y984-W1611 VanDerWaalsContact CE2-O 3.31Å; Y984-W1611 WeakPolarHBondContact CE2-O 3.37Å; Y984-W1611 AromaticContact CZ-CE3 3.66Å; Y984-W1611 PolarHBondContact OH-O 3.2Å | ||
| 985 | C | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -72.9 | -24.8 | 171.8 | -60.7 | 0 | 0 | 0 | 0 | 113 | R959 E964 S973 Y1020 R1024 | R959-C985 HydrophobicContact CB-CB 4.17Å; R959-C985 PolarHBondContact O-N 3.25Å; E964-C985 HydrophobicContact CB-CB 4.33Å; E964-C985 VanDerWaalsContact CB-SG 3.54Å; E964-C985 HydrophobicContact CG-CB 4.15Å; S973-C985 WeakPolarHBondContact CA-SG 3.39Å; S973-C985 PolarHBondContact N-SG 2.89Å; C985-Y1020 WeakPolarHBondContact CA-OH 3.14Å; C985-Y1020 WeakPolarHBondContact CB-OH 3.44Å; C985-Y1020 WeakPolarHBondContact O-CE1 3.46Å; C985-Y1020 PolarHBondContact O-OH 2.87Å; C985-Y1020 VanDerWaalsContact O-OH 3.12Å; C985-R1024 WeakPolarHBondContact O-CD 3.24Å; C985-R1024 PolarHBondContact O-NE 3.28Å |
| 986 | G | 93.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -85.7 | -174.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L956 L957 Y984 Q988 | L956-G986 CarbonylContact O-C 3.55Å; L956-G986 VanDerWaalsContact O-CA 3.23Å; L956-G986 WeakPolarHBondContact O-CA 3.41Å; L957-G986 CarbonylContact O-C 3.6Å; L957-G986 WeakPolarHBondContact O-CA 3.26Å; Y984-G986 VanDerWaalsContact C-N 3.32Å; G986-Q988 VanDerWaalsContact C-N 3.28Å; G986-Q988 PolarHBondContact O-N 3.21Å |
| 987 | F | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.9 | -23.2 | -172.2 | -68.4 | -73.7 | 0 | 0 | 0 | 114.7 | L956 L957 S989 I990 S991 L1021 L1025 L1047 T1070 L1073 T1074 I1077 | L956-F987 HydrophobicContact CB-CD2 4.42Å; L956-F987 HydrophobicContact CD2-CE2 4.47Å; L956-F987 WeakPolarHBondContact O-CD2 3.38Å; L956-F987 PolarHBondContact O-N 3.19Å; L957-F987 HydrophobicContact CD2-CB 4.47Å; L957-F987 PolarHBondContact O-N 3.36Å; F987-S989 PolarHBondContact O-N 2.96Å; F987-I990 PolarHBondContact O-N 3.03Å; F987-S991 WeakPolarHBondContact O-CB 3.48Å; F987-S991 PolarHBondContact O-N 3.01Å; F987-L1021 HydrophobicContact CD1-CD1 4.09Å; F987-L1021 HydrophobicContact CD1-CD2 3.89Å; F987-L1021 HydrophobicContact CE1-CB 4.2Å; F987-L1021 HydrophobicContact CE1-CD1 3.79Å; F987-L1021 HydrophobicContact CE1-CD2 3.86Å; F987-L1021 HydrophobicContact CE1-CG 4.17Å; F987-L1021 HydrophobicContact CZ-CB 4.47Å; F987-L1021 HydrophobicContact CZ-CD2 4.38Å; F987-L1025 HydrophobicContact CE2-CD1 4.42Å; F987-L1047 HydrophobicContact CE2-CD1 4.06Å; F987-L1047 HydrophobicContact CZ-CD1 3.6Å; F987-L1047 HydrophobicContact CZ-CD2 3.86Å; F987-L1047 HydrophobicContact CZ-CG 4.37Å; F987-T1070 HydrophobicContact CD1-CG2 3.86Å; F987-T1070 HydrophobicContact CE1-CG2 4.44Å; F987-L1073 HydrophobicContact CD1-CD2 4.3Å; F987-L1073 HydrophobicContact CD2-CD2 4.36Å; F987-L1073 HydrophobicContact CE1-CD2 3.81Å; F987-L1073 HydrophobicContact CE2-CD2 3.94Å; F987-L1073 HydrophobicContact CZ-CD2 3.64Å; F987-T1074 HydrophobicContact CB-CG2 4.49Å; F987-T1074 WeakPolarHBondContact CB-OG1 3.38Å; F987-I1077 HydrophobicContact CD2-CD1 3.98Å; F987-I1077 HydrophobicContact CE2-CD1 4.48Å |
| 988 | Q | 93.1 | Very high | 92 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 2% | 0.023 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.3 | -50.2 | -174.2 | 172 | 66.7 | 68.3 | 0 | 0 | 113 | L957 F958 Y984 G986 S991 N992 K1078 C1612 | L957-Q988 VanDerWaalsContact O-CB 3.22Å; L957-Q988 WeakPolarHBondContact O-CB 3.08Å; L957-Q988 PolarHBondContact O-N 2.98Å; F958-Q988 HydrophobicContact CD1-CB 3.94Å; F958-Q988 HydrophobicContact CD1-CG 4.09Å; F958-Q988 HydrophobicContact CE1-CB 3.77Å; F958-Q988 HydrophobicContact CE1-CG 3.62Å; Y984-Q988 HydrophobicContact CD2-CB 4.18Å; Y984-Q988 HydrophobicContact CD2-CG 4.01Å; Y984-Q988 HydrophobicContact CE2-CG 4.24Å; G986-Q988 VanDerWaalsContact C-N 3.28Å; G986-Q988 PolarHBondContact O-N 3.21Å; Q988-S991 PolarHBondContact O-N 3.11Å; Q988-N992 WeakPolarHBondContact O-CB 3.36Å; Q988-N992 PolarHBondContact O-N 2.98Å; Q988-K1078 VanDerWaalsContact CD-NZ 3.33Å; Q988-C1612 PolarHBondContact NE2-SG 2.98Å |
| 989 | S | 92.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 25 Ų | 25 | 3% | 0.028 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.8 | -39.7 | -174.2 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | V983 Y984 F987 N992 V993 | V983-S989 WeakPolarHBondContact CG2-OG 3.46Å; Y984-S989 WeakPolarHBondContact CB-OG 3.41Å; Y984-S989 WeakPolarHBondContact CD2-OG 3.44Å; Y984-S989 PolarHBondContact N-OG 3.16Å; F987-S989 PolarHBondContact O-N 2.96Å; S989-N992 PolarHBondContact O-N 3.36Å; S989-V993 WeakPolarHBondContact O-CG2 3.25Å; S989-V993 PolarHBondContact O-N 3.16Å; S989-V993 VanDerWaalsContact O-N 3.09Å |
| 990 | I | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.4 | -47.1 | 177.4 | -59.9 | 173.7 | 0 | 0 | 0 | 110.1 | L982 F987 N992 V993 L994 L1017 L1021 F1066 T1070 | L982-I990 HydrophobicContact CD1-CD1 4.1Å; L982-I990 HydrophobicContact CD1-CG1 3.42Å; L982-I990 VanDerWaalsContact CD1-CG1 3.42Å; F987-I990 PolarHBondContact O-N 3.03Å; I990-N992 VanDerWaalsContact C-N 3.26Å; I990-N992 PolarHBondContact O-N 3.38Å; I990-V993 PolarHBondContact O-N 3.13Å; I990-L994 HydrophobicContact CG2-CD1 3.64Å; I990-L994 HydrophobicContact CG2-CG 4.17Å; I990-L994 WeakPolarHBondContact O-CB 3.45Å; I990-L994 VanDerWaalsContact O-CG 3.27Å; I990-L994 WeakPolarHBondContact O-CG 3.49Å; I990-L994 PolarHBondContact O-N 3.21Å; I990-L1017 HydrophobicContact CD1-CD1 3.68Å; I990-L1017 HydrophobicContact CD1-CD2 4.19Å; I990-L1017 HydrophobicContact CD1-CG 4.06Å; I990-L1017 HydrophobicContact CG1-CD1 4.46Å; I990-L1017 HydrophobicContact CG2-CD2 4.18Å; I990-L1021 HydrophobicContact CD1-CD1 3.63Å; I990-L1021 HydrophobicContact CD1-CD2 3.62Å; I990-L1021 HydrophobicContact CD1-CG 3.85Å; I990-F1066 HydrophobicContact CG2-CE1 3.93Å; I990-F1066 HydrophobicContact CG2-CZ 4.42Å; I990-T1070 HydrophobicContact CG2-CG2 4Å |
| 991 | S | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.6 | -40 | 177.2 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | F987 Q988 L994 Q995 | F987-S991 WeakPolarHBondContact O-CB 3.48Å; F987-S991 PolarHBondContact O-N 3.01Å; Q988-S991 PolarHBondContact O-N 3.11Å; S991-L994 PolarHBondContact O-N 3.1Å; S991-Q995 VanDerWaalsContact O-CB 3.3Å; S991-Q995 WeakPolarHBondContact O-CB 3.31Å; S991-Q995 WeakPolarHBondContact O-CG 3.25Å; S991-Q995 PolarHBondContact O-N 3.34Å |
| 992 | N | 89.4 | Confident | 88.8 | Confident | 39 Ų | 39 | 30.7 Ų | 30.7 | 21% | 0.209 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 179.9 | -166.4 | 28.2 | 0 | 0 | 0 | 111.7 | Q988 S989 I990 L994 G996 S1609 | Q988-N992 WeakPolarHBondContact O-CB 3.36Å; Q988-N992 PolarHBondContact O-N 2.98Å; S989-N992 PolarHBondContact O-N 3.36Å; I990-N992 VanDerWaalsContact C-N 3.26Å; I990-N992 PolarHBondContact O-N 3.38Å; N992-L994 PolarHBondContact O-N 2.73Å; N992-G996 PolarHBondContact O-N 3.17Å; N992-G996 VanDerWaalsContact O-N 3.09Å; N992-S1609 PolarHBondContact ND2-O 2.91Å |
| 993 | V | 92 | Very high | 88.3 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 13% | 0.127 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 176.4 | 174 | 0 | 0 | 0 | 0 | 110.9 | W979 L982 S989 I990 G996 I997 I1007 | W979-V993 HydrophobicContact CH2-CG2 3.6Å; W979-V993 HydrophobicContact CZ2-CG2 3.75Å; W979-V993 HydrophobicContact CZ3-CG2 4.45Å; L982-V993 HydrophobicContact CD2-CG2 4.3Å; S989-V993 WeakPolarHBondContact O-CG2 3.25Å; S989-V993 PolarHBondContact O-N 3.16Å; S989-V993 VanDerWaalsContact O-N 3.09Å; I990-V993 PolarHBondContact O-N 3.13Å; V993-G996 PolarHBondContact O-N 2.77Å; V993-I997 HydrophobicContact CG1-CD1 4.03Å; V993-I997 WeakPolarHBondContact O-CG1 3.45Å; V993-I997 PolarHBondContact O-N 3.2Å; V993-I997 VanDerWaalsContact O-N 3.11Å; V993-I1007 HydrophobicContact CG1-CD1 4.18Å; V993-I1007 HydrophobicContact CG1-CG2 4.32Å |
| 994 | L | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67 | -40 | -178.6 | -73.7 | 178.4 | 0 | 0 | 0 | 113.5 | F640 I990 S991 N992 G996 I997 R998 I1007 L1011 F1066 E1067 V1071 | F640-L994 HydrophobicContact CE2-CD2 4.32Å; F640-L994 HydrophobicContact CZ-CD2 4.29Å; I990-L994 HydrophobicContact CG2-CD1 3.64Å; I990-L994 HydrophobicContact CG2-CG 4.17Å; I990-L994 WeakPolarHBondContact O-CB 3.45Å; I990-L994 VanDerWaalsContact O-CG 3.27Å; I990-L994 WeakPolarHBondContact O-CG 3.49Å; I990-L994 PolarHBondContact O-N 3.21Å; S991-L994 PolarHBondContact O-N 3.1Å; N992-L994 PolarHBondContact O-N 2.73Å; L994-G996 VanDerWaalsContact C-N 3.34Å; L994-I997 HydrophobicContact CD2-CD1 4.4Å; L994-I997 PolarHBondContact O-N 2.72Å; L994-R998 PolarHBondContact O-N 3.29Å; L994-I1007 HydrophobicContact CD2-CD1 4.1Å; L994-I1007 HydrophobicContact CD2-CG2 4.16Å; L994-I1007 HydrophobicContact CG-CD1 4.38Å; L994-L1011 HydrophobicContact CD2-CD1 4.38Å; L994-F1066 HydrophobicContact CD1-CD1 3.95Å; L994-F1066 HydrophobicContact CD1-CE1 3.92Å; L994-E1067 HydrophobicContact CB-CG 3.63Å; L994-E1067 HydrophobicContact CD1-CB 4.02Å; L994-E1067 HydrophobicContact CD1-CG 3.93Å; L994-E1067 HydrophobicContact CD2-CB 4.3Å; L994-E1067 HydrophobicContact CD2-CG 4.19Å; L994-E1067 HydrophobicContact CG-CG 4.14Å; L994-V1071 HydrophobicContact CB-CG2 4.04Å; L994-V1071 HydrophobicContact CD1-CG2 4.4Å |
| 995 | Q | 85.7 | Confident | 88 | Confident | 39 Ų | 39 | 34.9 Ų | 34.9 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 173.4 | -76.7 | 176.2 | -11.1 | 0 | 0 | 110.8 | S991 I997 R998 D999 V1071 E1075 | S991-Q995 VanDerWaalsContact O-CB 3.3Å; S991-Q995 WeakPolarHBondContact O-CB 3.31Å; S991-Q995 WeakPolarHBondContact O-CG 3.25Å; S991-Q995 PolarHBondContact O-N 3.34Å; Q995-I997 VanDerWaalsContact C-N 3.28Å; Q995-I997 PolarHBondContact O-N 3.29Å; Q995-R998 WeakPolarHBondContact O-CB 3.41Å; Q995-R998 PolarHBondContact O-N 2.59Å; Q995-D999 VanDerWaalsContact O-CB 3.31Å; Q995-D999 WeakPolarHBondContact O-CB 3.35Å; Q995-D999 PolarHBondContact O-N 3.01Å; Q995-V1071 HydrophobicContact CG-CG1 3.83Å; Q995-V1071 HydrophobicContact CG-CG2 4.24Å; Q995-V1071 VanDerWaalsContact NE2-CG1 3.34Å; Q995-E1075 PolarHBondContact NE2-OE1 3.45Å |
| 996 | G | 83.2 | Confident | 88.1 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 32% | 0.32 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.7 | -35.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N992 V993 L994 R1000 | N992-G996 PolarHBondContact O-N 3.17Å; N992-G996 VanDerWaalsContact O-N 3.09Å; V993-G996 PolarHBondContact O-N 2.77Å; L994-G996 VanDerWaalsContact C-N 3.34Å; G996-R1000 WeakPolarHBondContact O-CG 3.49Å; G996-R1000 PolarHBondContact O-N 3.1Å |
| 997 | I | 88.2 | Confident | 88.2 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.5 | -46.8 | 174.8 | -69.3 | 161.1 | 0 | 0 | 0 | 111.3 | F640 V993 L994 Q995 D999 R1000 N1001 D1002 H1005 I1007 | F640-I997 HydrophobicContact CE2-CB 4.13Å; F640-I997 HydrophobicContact CE2-CG2 3.74Å; F640-I997 HydrophobicContact CZ-CG2 3.79Å; V993-I997 HydrophobicContact CG1-CD1 4.03Å; V993-I997 WeakPolarHBondContact O-CG1 3.45Å; V993-I997 PolarHBondContact O-N 3.2Å; V993-I997 VanDerWaalsContact O-N 3.11Å; L994-I997 HydrophobicContact CD2-CD1 4.4Å; L994-I997 PolarHBondContact O-N 2.72Å; Q995-I997 VanDerWaalsContact C-N 3.28Å; Q995-I997 PolarHBondContact O-N 3.29Å; I997-D999 VanDerWaalsContact C-N 3.3Å; I997-D999 PolarHBondContact O-N 2.9Å; I997-R1000 CarbonylContact O-C 3.58Å; I997-R1000 PolarHBondContact O-N 3.04Å; I997-N1001 WeakPolarHBondContact O-CA 3.37Å; I997-N1001 PolarHBondContact O-N 3Å; I997-D1002 WeakPolarHBondContact CG2-O 3.31Å; I997-D1002 PolarHBondContact O-N 3.32Å; I997-H1005 HydrophobicContact CD1-CB 3.61Å; I997-H1005 VanDerWaalsContact CD1-CG 3.48Å; I997-H1005 HydrophobicContact CG1-CB 3.73Å; I997-I1007 HydrophobicContact CD1-CG2 3.21Å |
| 998 | R | 83.5 | Confident | 88.3 | Confident | 51 Ų | 51 | 36.7 Ų | 36.7 | 19% | 0.192 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.1 | -49.5 | 176.9 | -169.7 | 176.9 | 58.5 | -172.5 | -1.1 | 111.2 | F640 L994 Q995 R1000 N1001 E1067 | F640-R998 HydrophobicContact CB-CB 4.46Å; F640-R998 HydrophobicContact CB-CG 3.92Å; F640-R998 HydrophobicContact CD2-CB 3.69Å; F640-R998 HydrophobicContact CD2-CG 4.06Å; F640-R998 HydrophobicContact CE2-CB 4.42Å; L994-R998 PolarHBondContact O-N 3.29Å; Q995-R998 WeakPolarHBondContact O-CB 3.41Å; Q995-R998 PolarHBondContact O-N 2.59Å; R998-R1000 PolarHBondContact O-N 3.27Å; R998-N1001 PolarHBondContact O-N 2.95Å; R998-N1001 VanDerWaalsContact O-N 3.17Å; R998-E1067 IonicContact CZ-OE1 2.75Å; R998-E1067 IonicContact NE-OE1 2.69Å; R998-E1067 IonicContact NH1-OE1 3.72Å |
| 999 | D | 74.4 | Confident | 88.3 | Confident | 63 Ų | 63 | 38.7 Ų | 38.7 | 34% | 0.337 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.4 | -26.7 | -175.1 | -74 | 6.2 | 0 | 0 | 0 | 112.1 | Y650 Q995 I997 | Y650-D999 WeakPolarHBondContact CE1-O 3.45Å; Y650-D999 WeakPolarHBondContact CE2-O 3.48Å; Y650-D999 VanDerWaalsContact OH-CB 3.27Å; Y650-D999 WeakPolarHBondContact OH-CB 3.31Å; Y650-D999 PolarHBondContact OH-O 2.93Å; Q995-D999 VanDerWaalsContact O-CB 3.31Å; Q995-D999 WeakPolarHBondContact O-CB 3.35Å; Q995-D999 PolarHBondContact O-N 3.01Å; I997-D999 VanDerWaalsContact C-N 3.3Å; I997-D999 PolarHBondContact O-N 2.9Å |
| 1000 | R | 73.9 | Confident | 88.5 | Confident | 210 Ų | 210 | 39 Ų | 39 | 79% | 0.792 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -103.5 | -2 | 177 | -62.9 | 178.5 | -173.6 | 179.5 | 2.3 | 113.9 | G996 I997 R998 D1002 | G996-R1000 WeakPolarHBondContact O-CG 3.49Å; G996-R1000 PolarHBondContact O-N 3.1Å; I997-R1000 CarbonylContact O-C 3.58Å; I997-R1000 PolarHBondContact O-N 3.04Å; R998-R1000 PolarHBondContact O-N 3.27Å; R1000-D1002 HydrophobicContact CB-CB 4.32Å; R1000-D1002 PolarHBondContact O-N 3.29Å |
| 1001 | N | 74.8 | Confident | 88.6 | Confident | 81 Ų | 81 | 39.1 Ų | 39.1 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 37.9 | -169.8 | -164.7 | 33 | 0 | 0 | 0 | 113.6 | P636 I997 R998 L1003 | P636-N1001 VanDerWaalsContact CD-ND2 3.34Å; P636-N1001 WeakPolarHBondContact CD-ND2 3.43Å; I997-N1001 WeakPolarHBondContact O-CA 3.37Å; I997-N1001 PolarHBondContact O-N 3Å; R998-N1001 PolarHBondContact O-N 2.95Å; R998-N1001 VanDerWaalsContact O-N 3.17Å; N1001-L1003 PolarHBondContact O-N 2.78Å |
| 1002 | D | 84.4 | Confident | 88.7 | Confident | 70 Ų | 70 | 43 Ų | 43 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | trans | -90.2 | 67.7 | -174.5 | -177.5 | 14.6 | 0 | 0 | 0 | 112.4 | I997 R1000 G1004 H1005 | I997-D1002 WeakPolarHBondContact CG2-O 3.31Å; I997-D1002 PolarHBondContact O-N 3.32Å; R1000-D1002 HydrophobicContact CB-CB 4.32Å; R1000-D1002 PolarHBondContact O-N 3.29Å; D1002-G1004 PolarHBondContact O-N 3.08Å; D1002-G1004 PolarHBondContact OD1-N 2.91Å; D1002-H1005 WeakPolarHBondContact O-CB 3.32Å; D1002-H1005 PolarHBondContact O-N 2.84Å; D1002-H1005 VanDerWaalsContact O-N 3.11Å; D1002-H1005 PolarHBondContact OD1-N 2.91Å | ||
| 1003 | L | 86.7 | Confident | 88.9 | Confident | 24 Ų | 24 | 46.7 Ų | 46.7 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -4.8 | 175.7 | -63.8 | -176.6 | 0 | 0 | 0 | 113.8 | P636 F640 N1001 C1008 R1012 | P636-L1003 HydrophobicContact CB-CD1 3.97Å; P636-L1003 HydrophobicContact CG-CD1 3.52Å; P636-L1003 HydrophobicContact CG-CG 4.33Å; F640-L1003 HydrophobicContact CD1-CD2 3.75Å; F640-L1003 HydrophobicContact CE1-CD2 3.53Å; F640-L1003 HydrophobicContact CZ-CD2 4.33Å; N1001-L1003 PolarHBondContact O-N 2.78Å; L1003-C1008 WeakPolarHBondContact O-CB 3.38Å; L1003-R1012 PolarHBondContact O-NH2 2.84Å |
| 1004 | G | 89.9 | Confident | 88.9 | Confident | 61 Ų | 61 | 46.1 Ų | 46.1 | 63% | 0.629 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -13.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | D1002 | D1002-G1004 PolarHBondContact O-N 3.08Å; D1002-G1004 PolarHBondContact OD1-N 2.91Å |
| 1005 | H | 94 | Very high | 89 | Confident | 28 Ų | 28 | 47 Ų | 47 | 13% | 0.13 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -54.7 | 139.7 | -179.6 | -168.2 | -83.4 | 0 | 0 | 0 | 112.3 | W979 I997 D1002 I1007 C1008 S1009 | W979-H1005 AromaticContact CD1-CE1 3.38Å; W979-H1005 AromaticContact CD1-NE2 3.36Å; W979-H1005 AromaticContact CE2-CE1 3.93Å; W979-H1005 AromaticContact CE2-NE2 3.95Å; W979-H1005 AromaticContact CG-CE1 3.93Å; W979-H1005 AromaticContact NE1-CE1 3.35Å; W979-H1005 PolarHBondContact NE1-CE1 2.82Å; W979-H1005 AromaticContact NE1-NE2 3.07Å; W979-H1005 PolarHBondContact NE1-NE2 3.09Å; I997-H1005 HydrophobicContact CD1-CB 3.61Å; I997-H1005 VanDerWaalsContact CD1-CG 3.48Å; I997-H1005 HydrophobicContact CG1-CB 3.73Å; D1002-H1005 WeakPolarHBondContact O-CB 3.32Å; D1002-H1005 PolarHBondContact O-N 2.84Å; D1002-H1005 VanDerWaalsContact O-N 3.11Å; D1002-H1005 PolarHBondContact OD1-N 2.91Å; H1005-I1007 VanDerWaalsContact ND1-CG2 3.3Å; H1005-I1007 WeakPolarHBondContact ND1-CG2 3.29Å; H1005-I1007 PolarHBondContact ND1-N 2.84Å; H1005-I1007 PolarHBondContact O-N 2.89Å; H1005-I1007 VanDerWaalsContact O-N 3.07Å; H1005-C1008 WeakPolarHBondContact O-CB 3.06Å; H1005-C1008 PolarHBondContact O-N 2.94Å; H1005-S1009 PolarHBondContact O-N 2.96Å |
| 1006 | P | 96 | Very high | 89.5 | Confident | 39 Ų | 39 | 51 Ų | 51 | 25% | 0.253 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -53.2 | -35.8 | -175.7 | -29.8 | 34.7 | 0 | 0 | 0 | 114.7 | I976 P977 D978 W979 C1008 S1009 H1010 | I976-P1006 HydrophobicContact CG2-CB 4.43Å; P977-P1006 WeakPolarHBondContact O-CB 3.5Å; D978-P1006 HydrophobicContact CB-CB 4.36Å; D978-P1006 HydrophobicContact CB-CG 4.5Å; W979-P1006 HydrophobicContact CB-CB 4.06Å; W979-P1006 HydrophobicContact CB-CG 4.18Å; P1006-C1008 VanDerWaalsContact C-N 3.26Å; P1006-C1008 PolarHBondContact O-N 2.72Å; P1006-S1009 WeakPolarHBondContact O-CB 3.43Å; P1006-S1009 PolarHBondContact O-N 3.36Å; P1006-S1009 VanDerWaalsContact O-N 3.14Å; P1006-H1010 WeakPolarHBondContact O-CB 3.16Å; P1006-H1010 PolarHBondContact O-N 3.32Å |
| 1007 | I | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.7 | -34.3 | 175.2 | -156 | 179.5 | 0 | 0 | 0 | 113.2 | I976 V993 L994 I997 H1005 H1010 L1011 L1017 | I976-I1007 HydrophobicContact CD1-CB 4.16Å; I976-I1007 HydrophobicContact CD1-CD1 3.64Å; I976-I1007 HydrophobicContact CD1-CG1 3.81Å; I976-I1007 HydrophobicContact CG1-CG1 4.34Å; I976-I1007 HydrophobicContact CG2-CB 4.09Å; I976-I1007 HydrophobicContact CG2-CG1 4.34Å; V993-I1007 HydrophobicContact CG1-CD1 4.18Å; V993-I1007 HydrophobicContact CG1-CG2 4.32Å; L994-I1007 HydrophobicContact CD2-CD1 4.1Å; L994-I1007 HydrophobicContact CD2-CG2 4.16Å; L994-I1007 HydrophobicContact CG-CD1 4.38Å; I997-I1007 HydrophobicContact CD1-CG2 3.21Å; H1005-I1007 VanDerWaalsContact ND1-CG2 3.3Å; H1005-I1007 WeakPolarHBondContact ND1-CG2 3.29Å; H1005-I1007 PolarHBondContact ND1-N 2.84Å; H1005-I1007 PolarHBondContact O-N 2.89Å; H1005-I1007 VanDerWaalsContact O-N 3.07Å; I1007-H1010 PolarHBondContact O-N 3.31Å; I1007-L1011 HydrophobicContact CG1-CD1 4.37Å; I1007-L1011 WeakPolarHBondContact O-CB 3.47Å; I1007-L1011 VanDerWaalsContact O-CG 3.23Å; I1007-L1011 WeakPolarHBondContact O-CG 3.4Å; I1007-L1011 PolarHBondContact O-N 2.88Å; I1007-L1017 HydrophobicContact CD1-CD2 4.09Å; I1007-L1017 HydrophobicContact CG1-CD2 4.38Å |
| 1008 | C | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.5 | -40.2 | 177.9 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | L1003 H1005 P1006 R1012 P1063 | L1003-C1008 WeakPolarHBondContact O-CB 3.38Å; H1005-C1008 WeakPolarHBondContact O-CB 3.06Å; H1005-C1008 PolarHBondContact O-N 2.94Å; P1006-C1008 VanDerWaalsContact C-N 3.26Å; P1006-C1008 PolarHBondContact O-N 2.72Å; C1008-R1012 WeakPolarHBondContact O-CG 3.46Å; C1008-R1012 PolarHBondContact O-N 3.27Å; C1008-R1012 PolarHBondContact O-NE 2.57Å; C1008-P1063 HydrophobicContact CB-CB 4.37Å; C1008-P1063 HydrophobicContact CB-CG 4.28Å |
| 1009 | S | 94.7 | Very high | 91.1 | Very high | 47 Ų | 47 | 52 Ų | 52 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 171.7 | -167.9 | 0 | 0 | 0 | 0 | 111.1 | H1005 P1006 L1011 R1012 Q1013 | H1005-S1009 PolarHBondContact O-N 2.96Å; P1006-S1009 WeakPolarHBondContact O-CB 3.43Å; P1006-S1009 PolarHBondContact O-N 3.36Å; P1006-S1009 VanDerWaalsContact O-N 3.14Å; S1009-L1011 PolarHBondContact O-N 3.33Å; S1009-R1012 WeakPolarHBondContact O-CA 3.36Å; S1009-R1012 WeakPolarHBondContact O-CB 3.31Å; S1009-R1012 PolarHBondContact O-N 3.27Å; S1009-R1012 VanDerWaalsContact O-N 3.08Å; S1009-Q1013 VanDerWaalsContact O-CG 3.32Å; S1009-Q1013 WeakPolarHBondContact O-CG 3.39Å; S1009-Q1013 PolarHBondContact O-N 2.82Å; S1009-Q1013 PolarHBondContact OG-NE2 2.81Å |
| 1010 | H | 96.5 | Very high | 92.2 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 178.2 | -171.8 | 62.2 | 0 | 0 | 0 | 112.9 | Y974 P977 P1006 I1007 R1012 Q1013 G1014 W1016 | Y974-H1010 AromaticContact CE1-CD2 3.99Å; Y974-H1010 AromaticContact CE1-NE2 3.46Å; Y974-H1010 WeakPolarHBondContact CE1-NE2 3.17Å; Y974-H1010 AromaticContact CZ-NE2 3.49Å; Y974-H1010 PolarHBondContact OH-CE1 3.17Å; Y974-H1010 PolarHBondContact OH-NE2 3.25Å; P977-H1010 WeakPolarHBondContact CD-ND1 3.46Å; P1006-H1010 WeakPolarHBondContact O-CB 3.16Å; P1006-H1010 PolarHBondContact O-N 3.32Å; I1007-H1010 PolarHBondContact O-N 3.31Å; H1010-R1012 VanDerWaalsContact C-N 3.32Å; H1010-R1012 PolarHBondContact O-N 3.33Å; H1010-Q1013 PolarHBondContact O-N 3.33Å; H1010-G1014 PolarHBondContact O-N 3.38Å; H1010-G1014 VanDerWaalsContact O-N 3.14Å; H1010-W1016 AromaticContact CE1-CE3 3.45Å; H1010-W1016 VanDerWaalsContact CE1-CE3 3.45Å; H1010-W1016 AromaticContact CE1-CZ3 3.9Å; H1010-W1016 AromaticContact ND1-CE3 3.95Å; H1010-W1016 AromaticContact ND1-CZ3 3.99Å; H1010-W1016 AromaticContact NE2-CE3 3.92Å |
| 1011 | L | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.1 | -31.8 | 174.2 | -74.4 | 170.4 | 0 | 0 | 0 | 112.4 | L994 I1007 S1009 L1017 R1059 V1062 P1063 F1066 | L994-L1011 HydrophobicContact CD2-CD1 4.38Å; I1007-L1011 HydrophobicContact CG1-CD1 4.37Å; I1007-L1011 WeakPolarHBondContact O-CB 3.47Å; I1007-L1011 VanDerWaalsContact O-CG 3.23Å; I1007-L1011 WeakPolarHBondContact O-CG 3.4Å; I1007-L1011 PolarHBondContact O-N 2.88Å; S1009-L1011 PolarHBondContact O-N 3.33Å; L1011-L1017 HydrophobicContact CD2-CB 4.3Å; L1011-L1017 HydrophobicContact CD2-CD2 4.27Å; L1011-R1059 PolarHBondContact O-NH2 3.31Å; L1011-V1062 HydrophobicContact CB-CG1 4.43Å; L1011-V1062 WeakPolarHBondContact O-CG1 3.33Å; L1011-P1063 HydrophobicContact CB-CG 4.11Å; L1011-P1063 HydrophobicContact CD1-CB 4.47Å; L1011-F1066 HydrophobicContact CD1-CB 4.36Å; L1011-F1066 HydrophobicContact CD1-CD1 3.59Å; L1011-F1066 HydrophobicContact CD1-CE1 4.21Å; L1011-F1066 HydrophobicContact CD1-CG 4.16Å; L1011-F1066 HydrophobicContact CD2-CB 4.29Å; L1011-F1066 HydrophobicContact CD2-CD1 3.67Å; L1011-F1066 HydrophobicContact CD2-CD2 4.05Å; L1011-F1066 HydrophobicContact CD2-CE1 3.96Å; L1011-F1066 HydrophobicContact CD2-CE2 4.33Å; L1011-F1066 HydrophobicContact CD2-CG 3.72Å; L1011-F1066 HydrophobicContact CD2-CZ 4.28Å; L1011-F1066 HydrophobicContact CG-CD1 4.31Å |
| 1012 | R | 93.7 | Very high | 94.2 | Very high | 81 Ų | 81 | 36.5 Ų | 36.5 | 31% | 0.306 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.3 | -40.1 | 171.9 | -76.8 | -176.5 | -79.7 | -112.9 | 0.6 | 111.3 | L1003 C1008 S1009 H1010 R1059 P1063 | L1003-R1012 PolarHBondContact O-NH2 2.84Å; C1008-R1012 WeakPolarHBondContact O-CG 3.46Å; C1008-R1012 PolarHBondContact O-N 3.27Å; C1008-R1012 PolarHBondContact O-NE 2.57Å; S1009-R1012 WeakPolarHBondContact O-CA 3.36Å; S1009-R1012 WeakPolarHBondContact O-CB 3.31Å; S1009-R1012 PolarHBondContact O-N 3.27Å; S1009-R1012 VanDerWaalsContact O-N 3.08Å; H1010-R1012 VanDerWaalsContact C-N 3.32Å; H1010-R1012 PolarHBondContact O-N 3.33Å; R1012-R1059 WeakPolarHBondContact CG-O 3.47Å; R1012-R1059 WeakPolarHBondContact O-CB 3.44Å; R1012-R1059 PolarHBondContact O-NE 3.41Å; R1012-P1063 HydrophobicContact CG-CG 3.95Å |
| 1013 | Q | 93.4 | Very high | 94.7 | Very high | 117 Ų | 117 | 37.1 Ų | 37.1 | 55% | 0.547 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -71.9 | -30.5 | -177 | -70.1 | 169.3 | 7.9 | 0 | 0 | 114 | S1009 H1010 W1016 | S1009-Q1013 VanDerWaalsContact O-CG 3.32Å; S1009-Q1013 WeakPolarHBondContact O-CG 3.39Å; S1009-Q1013 PolarHBondContact O-N 2.82Å; S1009-Q1013 PolarHBondContact OG-NE2 2.81Å; H1010-Q1013 PolarHBondContact O-N 3.33Å; Q1013-W1016 HydrophobicContact CB-CH2 3.73Å; Q1013-W1016 HydrophobicContact CB-CZ3 3.59Å; Q1013-W1016 WeakPolarHBondContact O-CH2 3.25Å |
| 1014 | G | 93.1 | Very high | 95 | Very high | 9 Ų | 9 | 36 Ų | 36 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | trans | -176.1 | 166.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1010 W1016 R1059 | H1010-G1014 PolarHBondContact O-N 3.38Å; H1010-G1014 VanDerWaalsContact O-N 3.14Å; G1014-W1016 VanDerWaalsContact N-CZ3 3.35Å; G1014-W1016 PolarHBondContact O-N 2.73Å; G1014-R1059 VanDerWaalsContact C-NH2 3.33Å | ||
| 1015 | N | 94.4 | Very high | 95.2 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 10% | 0.096 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -88.3 | 18.1 | -178.5 | -66.2 | -14.5 | 0 | 0 | 0 | 113.1 | L1017 A1018 H1019 S1055 R1059 | N1015-L1017 PolarHBondContact O-N 2.8Å; N1015-A1018 WeakPolarHBondContact O-CB 3.4Å; N1015-A1018 PolarHBondContact O-N 2.67Å; N1015-H1019 PolarHBondContact O-N 3.2Å; N1015-S1055 VanDerWaalsContact ND2-CA 3.31Å; N1015-S1055 WeakPolarHBondContact ND2-CA 3.25Å; N1015-S1055 PolarHBondContact ND2-N 2.83Å; N1015-S1055 PolarHBondContact ND2-OG 3.3Å; N1015-R1059 PolarHBondContact OD1-NH1 3.2Å; N1015-R1059 PolarHBondContact OD1-NH2 3.17Å |
| 1016 | W | 96.4 | Very high | 95.1 | Very high | 123 Ų | 123 | 33.2 Ų | 33.2 | 47% | 0.466 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.9 | -35.2 | -173.3 | -53.2 | -71 | 0 | 0 | 0 | 113.3 | Y974 H1010 Q1013 G1014 H1019 Y1020 | Y974-W1016 WeakPolarHBondContact OH-CB 3.19Å; H1010-W1016 AromaticContact CE1-CE3 3.45Å; H1010-W1016 VanDerWaalsContact CE1-CE3 3.45Å; H1010-W1016 AromaticContact CE1-CZ3 3.9Å; H1010-W1016 AromaticContact ND1-CE3 3.95Å; H1010-W1016 AromaticContact ND1-CZ3 3.99Å; H1010-W1016 AromaticContact NE2-CE3 3.92Å; Q1013-W1016 HydrophobicContact CB-CH2 3.73Å; Q1013-W1016 HydrophobicContact CB-CZ3 3.59Å; Q1013-W1016 WeakPolarHBondContact O-CH2 3.25Å; G1014-W1016 VanDerWaalsContact N-CZ3 3.35Å; G1014-W1016 PolarHBondContact O-N 2.73Å; W1016-H1019 PolarHBondContact O-N 3.47Å; W1016-Y1020 VanDerWaalsContact O-CB 3.29Å; W1016-Y1020 WeakPolarHBondContact O-CB 3.3Å; W1016-Y1020 PolarHBondContact O-N 2.84Å |
| 1017 | L | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.5 | -39.2 | 177 | -173 | 57.6 | 0 | 0 | 0 | 111.9 | Y974 I990 I1007 L1011 N1015 Y1020 L1021 F1066 | Y974-L1017 HydrophobicContact CD1-CD1 3.6Å; Y974-L1017 HydrophobicContact CD2-CD1 3.85Å; Y974-L1017 HydrophobicContact CE1-CB 4.49Å; Y974-L1017 HydrophobicContact CE1-CD1 3.85Å; Y974-L1017 HydrophobicContact CE2-CD1 4.09Å; Y974-L1017 HydrophobicContact CG-CD1 3.58Å; I990-L1017 HydrophobicContact CD1-CD1 3.68Å; I990-L1017 HydrophobicContact CD1-CD2 4.19Å; I990-L1017 HydrophobicContact CD1-CG 4.06Å; I990-L1017 HydrophobicContact CG1-CD1 4.46Å; I990-L1017 HydrophobicContact CG2-CD2 4.18Å; I1007-L1017 HydrophobicContact CD1-CD2 4.09Å; I1007-L1017 HydrophobicContact CG1-CD2 4.38Å; L1011-L1017 HydrophobicContact CD2-CB 4.3Å; L1011-L1017 HydrophobicContact CD2-CD2 4.27Å; N1015-L1017 PolarHBondContact O-N 2.8Å; L1017-Y1020 HydrophobicContact CD1-CD1 4.21Å; L1017-Y1020 PolarHBondContact O-N 3.46Å; L1017-L1021 HydrophobicContact CG-CD1 4.5Å; L1017-L1021 VanDerWaalsContact O-CG 3.3Å; L1017-L1021 WeakPolarHBondContact O-CG 3.32Å; L1017-L1021 PolarHBondContact O-N 3.38Å; L1017-F1066 HydrophobicContact CB-CZ 4.34Å; L1017-F1066 HydrophobicContact CD2-CE1 3.77Å; L1017-F1066 HydrophobicContact CD2-CZ 3.75Å; L1017-F1066 HydrophobicContact CG-CE1 4.35Å; L1017-F1066 HydrophobicContact CG-CZ 3.81Å |
| 1018 | A | 96.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.4 | -40.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1015 L1021 T1022 Y1051 F1066 | N1015-A1018 WeakPolarHBondContact O-CB 3.4Å; N1015-A1018 PolarHBondContact O-N 2.67Å; A1018-L1021 PolarHBondContact O-N 3.05Å; A1018-T1022 WeakPolarHBondContact O-CG2 2.99Å; A1018-T1022 PolarHBondContact O-N 3.33Å; A1018-T1022 VanDerWaalsContact O-N 3.13Å; A1018-T1022 PolarHBondContact O-OG1 3.12Å; A1018-Y1051 HydrophobicContact CB-CD1 4.14Å; A1018-Y1051 HydrophobicContact CB-CD2 3.98Å; A1018-Y1051 HydrophobicContact CB-CE2 4.48Å; A1018-Y1051 HydrophobicContact CB-CG 3.78Å; A1018-F1066 HydrophobicContact CB-CD2 4.35Å; A1018-F1066 HydrophobicContact CB-CE2 3.9Å |
| 1019 | H | 96 | Very high | 93.2 | Very high | 105 Ų | 105 | 39.6 Ų | 39.6 | 49% | 0.486 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 174.3 | -65.8 | 178.4 | 0 | 0 | 0 | 111.1 | N1015 W1016 L1021 T1022 E1023 | N1015-H1019 PolarHBondContact O-N 3.2Å; W1016-H1019 PolarHBondContact O-N 3.47Å; H1019-L1021 PolarHBondContact O-N 3.11Å; H1019-T1022 WeakPolarHBondContact CA-OG1 2.74Å; H1019-T1022 PolarHBondContact O-N 3.3Å; H1019-T1022 PolarHBondContact O-OG1 2.58Å; H1019-E1023 VanDerWaalsContact O-CB 3.3Å; H1019-E1023 WeakPolarHBondContact O-CB 3.43Å; H1019-E1023 VanDerWaalsContact O-CG 3.32Å; H1019-E1023 WeakPolarHBondContact O-CG 3.17Å; H1019-E1023 PolarHBondContact O-N 3.21Å |
| 1020 | Y | 96.2 | Very high | 92.2 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.9 | -48.4 | 175.2 | 164.4 | -97.6 | 0 | 0 | 0 | 111.8 | F971 N972 Y974 C985 W1016 L1017 T1022 R1024 | F971-Y1020 HydrophobicContact CD1-CD2 4.42Å; F971-Y1020 HydrophobicContact CD1-CE2 4.38Å; N972-Y1020 WeakPolarHBondContact O-CE2 3.3Å; N972-Y1020 PolarHBondContact O-OH 3.33Å; Y974-Y1020 AromaticContact CD2-CD1 3.58Å; Y974-Y1020 HydrophobicContact CD2-CD1 3.58Å; Y974-Y1020 AromaticContact CD2-CD2 3.84Å; Y974-Y1020 HydrophobicContact CD2-CD2 3.84Å; Y974-Y1020 HydrophobicContact CD2-CE1 4.16Å; Y974-Y1020 HydrophobicContact CD2-CE2 4.38Å; Y974-Y1020 AromaticContact CD2-CG 3.4Å; Y974-Y1020 HydrophobicContact CD2-CG 3.4Å; Y974-Y1020 VanDerWaalsContact CD2-CG 3.4Å; Y974-Y1020 HydrophobicContact CE2-CD1 4.39Å; Y974-Y1020 AromaticContact CE2-CG 3.97Å; Y974-Y1020 HydrophobicContact CE2-CG 3.97Å; Y974-Y1020 HydrophobicContact CG-CD1 4.18Å; Y974-Y1020 HydrophobicContact CG-CE1 4.46Å; Y974-Y1020 HydrophobicContact CG-CG 4.4Å; C985-Y1020 WeakPolarHBondContact CA-OH 3.14Å; C985-Y1020 WeakPolarHBondContact CB-OH 3.44Å; C985-Y1020 WeakPolarHBondContact O-CE1 3.46Å; C985-Y1020 PolarHBondContact O-OH 2.87Å; C985-Y1020 VanDerWaalsContact O-OH 3.12Å; W1016-Y1020 VanDerWaalsContact O-CB 3.29Å; W1016-Y1020 WeakPolarHBondContact O-CB 3.3Å; W1016-Y1020 PolarHBondContact O-N 2.84Å; L1017-Y1020 HydrophobicContact CD1-CD1 4.21Å; L1017-Y1020 PolarHBondContact O-N 3.46Å; Y1020-T1022 VanDerWaalsContact C-N 3.26Å; Y1020-T1022 PolarHBondContact O-N 3.04Å; Y1020-R1024 WeakPolarHBondContact O-CB 3.37Å; Y1020-R1024 WeakPolarHBondContact O-CG 3.18Å; Y1020-R1024 PolarHBondContact O-N 3.17Å; Y1020-R1024 VanDerWaalsContact O-N 3.15Å |
| 1021 | L | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.6 | -31.4 | -179 | -76.7 | 168.9 | 0 | 0 | 0 | 113.9 | F987 I990 L1017 A1018 H1019 R1024 Y1051 F1066 | F987-L1021 HydrophobicContact CD1-CD1 4.09Å; F987-L1021 HydrophobicContact CD1-CD2 3.89Å; F987-L1021 HydrophobicContact CE1-CB 4.2Å; F987-L1021 HydrophobicContact CE1-CD1 3.79Å; F987-L1021 HydrophobicContact CE1-CD2 3.86Å; F987-L1021 HydrophobicContact CE1-CG 4.17Å; F987-L1021 HydrophobicContact CZ-CB 4.47Å; F987-L1021 HydrophobicContact CZ-CD2 4.38Å; I990-L1021 HydrophobicContact CD1-CD1 3.63Å; I990-L1021 HydrophobicContact CD1-CD2 3.62Å; I990-L1021 HydrophobicContact CD1-CG 3.85Å; L1017-L1021 HydrophobicContact CG-CD1 4.5Å; L1017-L1021 VanDerWaalsContact O-CG 3.3Å; L1017-L1021 WeakPolarHBondContact O-CG 3.32Å; L1017-L1021 PolarHBondContact O-N 3.38Å; A1018-L1021 PolarHBondContact O-N 3.05Å; H1019-L1021 PolarHBondContact O-N 3.11Å; L1021-R1024 WeakPolarHBondContact O-CG 3.44Å; L1021-Y1051 HydrophobicContact CD1-CE2 4.5Å; L1021-F1066 HydrophobicContact CD1-CE2 4.29Å; L1021-F1066 HydrophobicContact CD1-CZ 3.83Å |
| 1022 | T | 95.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -83.7 | -52.7 | 179.3 | 47.7 | 0 | 0 | 0 | 0 | 111.6 | A1018 H1019 Y1020 R1024 L1025 A1026 S1044 L1047 K1048 Y1051 | A1018-T1022 WeakPolarHBondContact O-CG2 2.99Å; A1018-T1022 PolarHBondContact O-N 3.33Å; A1018-T1022 VanDerWaalsContact O-N 3.13Å; A1018-T1022 PolarHBondContact O-OG1 3.12Å; H1019-T1022 WeakPolarHBondContact CA-OG1 2.74Å; H1019-T1022 PolarHBondContact O-N 3.3Å; H1019-T1022 PolarHBondContact O-OG1 2.58Å; Y1020-T1022 VanDerWaalsContact C-N 3.26Å; Y1020-T1022 PolarHBondContact O-N 3.04Å; T1022-R1024 VanDerWaalsContact C-N 3.3Å; T1022-R1024 PolarHBondContact O-N 2.97Å; T1022-L1025 PolarHBondContact O-N 3.23Å; T1022-A1026 PolarHBondContact O-N 3.15Å; T1022-S1044 PolarHBondContact O-OG 3.24Å; T1022-L1047 HydrophobicContact CG2-CB 3.56Å; T1022-K1048 HydrophobicContact CG2-CB 4.5Å; T1022-K1048 HydrophobicContact CG2-CG 3.79Å; T1022-Y1051 HydrophobicContact CG2-CD2 3.99Å |
| 1023 | E | 95.1 | Very high | 88.3 | Confident | 83 Ų | 83 | 47.6 Ų | 47.6 | 39% | 0.388 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.6 | -33.3 | -175 | -70 | -58 | 131.3 | 0 | 0 | 112.8 | F971 H1019 L1025 A1026 K1048 | F971-E1023 HydrophobicContact CE1-CB 4.17Å; F971-E1023 HydrophobicContact CZ-CB 3.96Å; F971-E1023 WeakPolarHBondContact CZ-O 3.41Å; H1019-E1023 VanDerWaalsContact O-CB 3.3Å; H1019-E1023 WeakPolarHBondContact O-CB 3.43Å; H1019-E1023 VanDerWaalsContact O-CG 3.32Å; H1019-E1023 WeakPolarHBondContact O-CG 3.17Å; H1019-E1023 PolarHBondContact O-N 3.21Å; E1023-L1025 PolarHBondContact O-N 3.4Å; E1023-A1026 WeakPolarHBondContact O-CB 3.27Å; E1023-A1026 PolarHBondContact O-N 3.21Å; E1023-A1026 VanDerWaalsContact O-N 3.1Å; E1023-K1048 WeakPolarHBondContact OE1-CE 3.45Å; E1023-K1048 IonicContact OE1-NZ 2.78Å; E1023-K1048 PolarHBondContact OE1-NZ 2.99Å; E1023-K1048 IonicContact OE2-NZ 2.87Å |
| 1024 | R | 93.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.5 | 175.3 | 71.7 | 171.9 | -79.1 | -87.9 | 2.6 | 114.2 | K955 E964 F971 C985 Y1020 L1021 T1022 | K955-R1024 VanDerWaalsContact NZ-NH2 3.12Å; K955-R1024 PolarHBondContact O-NH1 3.3Å; K955-R1024 VanDerWaalsContact O-NH1 3.13Å; K955-R1024 PolarHBondContact O-NH2 2.94Å; E964-R1024 IonicContact OE1-CZ 2.7Å; E964-R1024 IonicContact OE1-NE 2.62Å; E964-R1024 PolarHBondContact OE1-NE 2.94Å; E964-R1024 IonicContact OE1-NH2 3.82Å; E964-R1024 PolarHBondContact OE1-NH2 3.16Å; E964-R1024 IonicContact OE2-CZ 3.63Å; E964-R1024 IonicContact OE2-NE 2.66Å; E964-R1024 IonicContact OE2-NH2 3.87Å; E964-R1024 PolarHBondContact OE2-NH2 3.08Å; F971-R1024 HydrophobicContact CB-CB 4.36Å; F971-R1024 HydrophobicContact CD1-CB 3.88Å; F971-R1024 HydrophobicContact CD2-CB 4.19Å; F971-R1024 HydrophobicContact CE1-CB 4.19Å; F971-R1024 HydrophobicContact CE2-CB 4.48Å; F971-R1024 HydrophobicContact CG-CB 3.88Å; F971-R1024 HydrophobicContact CZ-CB 4.48Å; C985-R1024 WeakPolarHBondContact O-CD 3.24Å; C985-R1024 PolarHBondContact O-NE 3.28Å; Y1020-R1024 WeakPolarHBondContact O-CB 3.37Å; Y1020-R1024 WeakPolarHBondContact O-CG 3.18Å; Y1020-R1024 PolarHBondContact O-N 3.17Å; Y1020-R1024 VanDerWaalsContact O-N 3.15Å; L1021-R1024 WeakPolarHBondContact O-CG 3.44Å; T1022-R1024 VanDerWaalsContact C-N 3.3Å; T1022-R1024 PolarHBondContact O-N 2.97Å |
| 1025 | L | 93.5 | Very high | 86 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -7.1 | 179 | -63.5 | 178.4 | 0 | 0 | 0 | 112.4 | K955 L956 F987 T1022 E1023 K1027 I1040 L1047 | K955-L1025 HydrophobicContact CG-CD2 4.18Å; L956-L1025 HydrophobicContact CD2-CD1 3.44Å; L956-L1025 VanDerWaalsContact CD2-CD1 3.44Å; L956-L1025 HydrophobicContact CD2-CD2 3.96Å; L956-L1025 HydrophobicContact CD2-CG 4.35Å; F987-L1025 HydrophobicContact CE2-CD1 4.42Å; T1022-L1025 PolarHBondContact O-N 3.23Å; E1023-L1025 PolarHBondContact O-N 3.4Å; L1025-K1027 PolarHBondContact O-N 3.03Å; L1025-I1040 HydrophobicContact CB-CG2 4.07Å; L1025-I1040 HydrophobicContact CD2-CG2 3.99Å; L1025-I1040 WeakPolarHBondContact O-CG2 3.27Å; L1025-L1047 HydrophobicContact CD1-CD1 3.54Å |
| 1026 | A | 91.7 | Very high | 85.2 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -79.2 | -6.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1022 E1023 | T1022-A1026 PolarHBondContact O-N 3.15Å; E1023-A1026 WeakPolarHBondContact O-CB 3.27Å; E1023-A1026 PolarHBondContact O-N 3.21Å; E1023-A1026 VanDerWaalsContact O-N 3.1Å |
| 1027 | K | 85.7 | Confident | 84.4 | Confident | 116 Ų | 116 | 48.9 Ų | 48.9 | 50% | 0.504 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -124.5 | 133.7 | -179.8 | -63.7 | -179.5 | -175.8 | 173.2 | 0 | 109.7 | C969 L1025 | C969-K1027 HydrophobicContact CB-CB 4.41Å; L1025-K1027 PolarHBondContact O-N 3.03Å |
| 1028 | L | 83.4 | Confident | 83.8 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 143.8 | 171.4 | -64.3 | 177 | 0 | 0 | 0 | 110 | I1036 I1040 I1041 | L1028-I1036 HydrophobicContact CD2-CG2 3.69Å; L1028-I1040 HydrophobicContact CD2-CB 4.22Å; L1028-I1040 HydrophobicContact CD2-CG2 4.42Å; L1028-I1041 HydrophobicContact CD1-CD1 3.99Å; L1028-I1041 HydrophobicContact CD2-CD1 4.4Å; L1028-I1041 HydrophobicContact CD2-CG1 4.31Å; L1028-I1041 HydrophobicContact CG-CD1 3.71Å; L1028-I1041 HydrophobicContact CG-CG1 4.14Å |
| 1029 | P | 81 | Confident | 83.4 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 142.3 | 171.3 | -22.5 | 34.4 | 0 | 0 | 0 | 111.3 | D967 S1032 I1036 F1145 | D967-P1029 HydrophobicContact CB-CB 3.86Å; D967-P1029 HydrophobicContact CB-CG 3.8Å; P1029-S1032 WeakPolarHBondContact O-CB 3.26Å; P1029-S1032 PolarHBondContact O-N 3.41Å; P1029-S1032 PolarHBondContact O-OG 2.9Å; P1029-S1032 VanDerWaalsContact O-OG 3.06Å; P1029-I1036 HydrophobicContact CG-CD1 3.85Å; P1029-F1145 HydrophobicContact CB-CD1 4.04Å; P1029-F1145 HydrophobicContact CB-CE1 3.39Å; P1029-F1145 HydrophobicContact CB-CZ 4.17Å; P1029-F1145 HydrophobicContact CG-CD1 4.21Å; P1029-F1145 HydrophobicContact CG-CE1 4.06Å |
| 1030 | S | 73 | Confident | 83.2 | Confident | 82 Ų | 82 | 49 Ų | 49 | 57% | 0.573 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 140.5 | 173.8 | -55.6 | 0 | 0 | 0 | 0 | 109.7 | S1032 | S1030-S1032 VanDerWaalsContact C-N 3.25Å; S1030-S1032 PolarHBondContact O-N 3.49Å |
| 1031 | N | 67.9 | Low | 82.9 | Confident | 114 Ų | 114 | 49.4 Ų | 49.4 | 61% | 0.61 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 18.8 | 179 | -49.7 | -37.3 | 0 | 0 | 0 | 116 | N1033 F1171 | N1031-N1033 PolarHBondContact O-N 3.19Å; N1031-F1171 HydrophobicContact CB-CZ 4.33Å |
| 1032 | S | 72.1 | Confident | 82.9 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | trans | -61.9 | -6.5 | 177.3 | 53 | 0 | 0 | 0 | 0 | 115 | P1029 S1030 K1034 L1035 | P1029-S1032 WeakPolarHBondContact O-CB 3.26Å; P1029-S1032 PolarHBondContact O-N 3.41Å; P1029-S1032 PolarHBondContact O-OG 2.9Å; P1029-S1032 VanDerWaalsContact O-OG 3.06Å; S1030-S1032 VanDerWaalsContact C-N 3.25Å; S1030-S1032 PolarHBondContact O-N 3.49Å; S1032-K1034 PolarHBondContact O-N 3.44Å; S1032-L1035 WeakPolarHBondContact O-CB 3.49Å; S1032-L1035 WeakPolarHBondContact O-CG 3.18Å; S1032-L1035 PolarHBondContact O-N 3.34Å | ||
| 1033 | N | 64.7 | Low | 82.8 | Confident | 99 Ų | 99 | 54 Ų | 54 | 53% | 0.529 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 35.3 | 172.8 | -76.2 | -7.9 | 0 | 0 | 0 | 114.9 | N1031 L1035 | N1031-N1033 PolarHBondContact O-N 3.19Å; N1033-L1035 PolarHBondContact O-N 2.93Å |
| 1034 | K | 67.4 | Low | 82.8 | Confident | 186 Ų | 186 | 50 Ų | 50 | 81% | 0.809 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 7.8 | -174.7 | -47.7 | 174.1 | 179.9 | 173 | 0 | 115.7 | S1032 I1036 T1037 | S1032-K1034 PolarHBondContact O-N 3.44Å; K1034-I1036 VanDerWaalsContact C-N 3.31Å; K1034-T1037 WeakPolarHBondContact O-CG2 3.03Å |
| 1035 | L | 71.4 | Confident | 83 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -65.1 | -38.1 | 171.3 | -64.8 | 166.7 | 0 | 0 | 0 | 111.4 | N949 L951 S1032 N1033 F1145 F1171 | N949-L1035 PolarHBondContact ND2-O 2.81Å; L951-L1035 HydrophobicContact CD1-CB 4.26Å; S1032-L1035 WeakPolarHBondContact O-CB 3.49Å; S1032-L1035 WeakPolarHBondContact O-CG 3.18Å; S1032-L1035 PolarHBondContact O-N 3.34Å; N1033-L1035 PolarHBondContact O-N 2.93Å; L1035-F1145 HydrophobicContact CD1-CD2 3.99Å; L1035-F1171 HydrophobicContact CD1-CB 4.2Å |
| 1036 | I | 76.7 | Confident | 83 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -109 | 118.8 | 168.3 | -56.7 | 174.3 | 0 | 0 | 0 | 105.9 | E952 L1028 P1029 K1034 I1040 F1145 | E952-I1036 HydrophobicContact CG-CG2 4.29Å; L1028-I1036 HydrophobicContact CD2-CG2 3.69Å; P1029-I1036 HydrophobicContact CG-CD1 3.85Å; K1034-I1036 VanDerWaalsContact C-N 3.31Å; I1036-I1040 HydrophobicContact CG2-CB 4.27Å; I1036-I1040 HydrophobicContact CG2-CG1 3.71Å; I1036-F1145 HydrophobicContact CD1-CB 4.08Å; I1036-F1145 HydrophobicContact CD1-CD1 4.04Å; I1036-F1145 HydrophobicContact CD1-CG 4.19Å |
| 1037 | T | 80.2 | Confident | 83.2 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 34% | 0.337 | 27% | 0.274 | S | S | . | . | trans | -97.2 | 174.3 | -172.6 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | E952 K1034 A1039 I1040 | E952-T1037 WeakPolarHBondContact OE1-CA 3.01Å; E952-T1037 VanDerWaalsContact OE1-CB 3.25Å; E952-T1037 WeakPolarHBondContact OE1-CB 3.3Å; E952-T1037 WeakPolarHBondContact OE1-CG2 3.33Å; E952-T1037 PolarHBondContact OE1-N 2.97Å; E952-T1037 PolarHBondContact OE1-OG1 3.38Å; K1034-T1037 WeakPolarHBondContact O-CG2 3.03Å; T1037-A1039 PolarHBondContact O-N 3.31Å; T1037-A1039 WeakPolarHBondContact OG1-CB 3.5Å; T1037-A1039 PolarHBondContact OG1-N 2.98Å; T1037-A1039 VanDerWaalsContact OG1-N 3.15Å; T1037-I1040 PolarHBondContact O-N 2.83Å | ||
| 1038 | E | 84.4 | Confident | 83.8 | Confident | 99 Ų | 99 | 51.1 Ų | 51.1 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -12.5 | 171.2 | -157.8 | 62.6 | -160.3 | 0 | 0 | 113.1 | I1040 I1041 Q1042 | E1038-I1040 PolarHBondContact O-N 2.68Å; E1038-I1041 HydrophobicContact CG-CB 4.49Å; E1038-I1041 PolarHBondContact O-N 2.78Å; E1038-I1041 VanDerWaalsContact O-N 3.12Å; E1038-I1041 WeakPolarHBondContact OE1-CB 3.26Å; E1038-I1041 VanDerWaalsContact OE1-CD1 3.22Å; E1038-I1041 WeakPolarHBondContact OE1-CD1 3.33Å; E1038-I1041 WeakPolarHBondContact OE1-CG2 3.37Å; E1038-Q1042 WeakPolarHBondContact O-CG 3.41Å; E1038-Q1042 PolarHBondContact O-N 3.48Å |
| 1039 | A | 87.3 | Confident | 84.4 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.2 | -33.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | L944 M948 T1037 Q1042 M1043 | L944-A1039 HydrophobicContact CD1-CB 3.79Å; M948-A1039 VanDerWaalsContact CE-C 3.46Å; M948-A1039 HydrophobicContact CE-CB 3.9Å; M948-A1039 WeakPolarHBondContact CE-O 3.48Å; M948-A1039 HydrophobicContact CG-CB 3.94Å; T1037-A1039 PolarHBondContact O-N 3.31Å; T1037-A1039 WeakPolarHBondContact OG1-CB 3.5Å; T1037-A1039 PolarHBondContact OG1-N 2.98Å; T1037-A1039 VanDerWaalsContact OG1-N 3.15Å; A1039-Q1042 PolarHBondContact O-N 3.41Å; A1039-M1043 WeakPolarHBondContact O-CB 3.35Å; A1039-M1043 PolarHBondContact O-N 2.94Å |
| 1040 | I | 90.6 | Very high | 85.1 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.8 | -42 | 176.3 | -72 | -65.7 | 0 | 0 | 0 | 111.8 | M948 E952 K955 L956 L1025 L1028 I1036 T1037 E1038 M1043 S1044 | M948-I1040 HydrophobicContact CE-CD1 3.94Å; M948-I1040 HydrophobicContact CE-CG1 4.5Å; E952-I1040 HydrophobicContact CB-CD1 3.86Å; E952-I1040 HydrophobicContact CB-CG1 4.11Å; E952-I1040 HydrophobicContact CG-CD1 4.27Å; E952-I1040 HydrophobicContact CG-CG1 3.95Å; K955-I1040 HydrophobicContact CB-CD1 4.42Å; L956-I1040 HydrophobicContact CD2-CD1 3.9Å; L956-I1040 HydrophobicContact CG-CD1 4.06Å; L1025-I1040 HydrophobicContact CB-CG2 4.07Å; L1025-I1040 HydrophobicContact CD2-CG2 3.99Å; L1025-I1040 WeakPolarHBondContact O-CG2 3.27Å; L1028-I1040 HydrophobicContact CD2-CB 4.22Å; L1028-I1040 HydrophobicContact CD2-CG2 4.42Å; I1036-I1040 HydrophobicContact CG2-CB 4.27Å; I1036-I1040 HydrophobicContact CG2-CG1 3.71Å; T1037-I1040 PolarHBondContact O-N 2.83Å; E1038-I1040 PolarHBondContact O-N 2.68Å; I1040-M1043 WeakPolarHBondContact O-CB 3.49Å; I1040-M1043 PolarHBondContact O-N 2.76Å; I1040-S1044 PolarHBondContact O-N 3.2Å |
| 1041 | I | 91.7 | Very high | 86.2 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 17% | 0.169 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.3 | -43.6 | 175.5 | -67.2 | 175.1 | 0 | 0 | 0 | 109.9 | L1028 E1038 M1043 S1044 D1045 | L1028-I1041 HydrophobicContact CD1-CD1 3.99Å; L1028-I1041 HydrophobicContact CD2-CD1 4.4Å; L1028-I1041 HydrophobicContact CD2-CG1 4.31Å; L1028-I1041 HydrophobicContact CG-CD1 3.71Å; L1028-I1041 HydrophobicContact CG-CG1 4.14Å; E1038-I1041 HydrophobicContact CG-CB 4.49Å; E1038-I1041 PolarHBondContact O-N 2.78Å; E1038-I1041 VanDerWaalsContact O-N 3.12Å; E1038-I1041 WeakPolarHBondContact OE1-CB 3.26Å; E1038-I1041 VanDerWaalsContact OE1-CD1 3.22Å; E1038-I1041 WeakPolarHBondContact OE1-CD1 3.33Å; E1038-I1041 WeakPolarHBondContact OE1-CG2 3.37Å; I1041-M1043 PolarHBondContact O-N 2.84Å; I1041-S1044 WeakPolarHBondContact O-CA 3.3Å; I1041-S1044 VanDerWaalsContact O-CB 3.22Å; I1041-S1044 WeakPolarHBondContact O-CB 3.5Å; I1041-S1044 PolarHBondContact O-N 2.72Å; I1041-D1045 PolarHBondContact O-N 3.22Å |
| 1042 | Q | 93.3 | Very high | 87.5 | Confident | 99 Ų | 99 | 49.6 Ų | 49.6 | 46% | 0.463 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.4 | -36.7 | 173.3 | -69.6 | 173.5 | 44.1 | 0 | 0 | 111.9 | L944 E1038 A1039 D1045 I1046 | L944-Q1042 HydrophobicContact CD1-CB 4.25Å; L944-Q1042 HydrophobicContact CD2-CB 3.98Å; E1038-Q1042 WeakPolarHBondContact O-CG 3.41Å; E1038-Q1042 PolarHBondContact O-N 3.48Å; A1039-Q1042 PolarHBondContact O-N 3.41Å; Q1042-D1045 PolarHBondContact O-N 2.84Å; Q1042-I1046 VanDerWaalsContact O-CG1 3.31Å; Q1042-I1046 WeakPolarHBondContact O-CG1 3.38Å; Q1042-I1046 PolarHBondContact O-N 2.98Å |
| 1043 | M | 94.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.6 | -42.4 | 174 | -174.5 | 61 | 78.1 | 0 | 0 | 110.8 | L944 L945 M948 L956 A1039 I1040 I1041 D1045 I1046 L1047 | L944-M1043 HydrophobicContact CB-CE 4.46Å; L944-M1043 HydrophobicContact CD2-CB 3.82Å; L944-M1043 HydrophobicContact CD2-CE 3.8Å; L944-M1043 HydrophobicContact CD2-SD 4.25Å; L944-M1043 HydrophobicContact CG-CE 4.15Å; L945-M1043 HydrophobicContact CD2-CE 3.53Å; L945-M1043 HydrophobicContact CG-CE 3.8Å; M948-M1043 HydrophobicContact CE-CB 3.68Å; M948-M1043 HydrophobicContact CE-CE 4.1Å; M948-M1043 HydrophobicContact CE-CG 4.29Å; M948-M1043 HydrophobicContact SD-CE 4.34Å; L956-M1043 HydrophobicContact CD1-CE 4.33Å; L956-M1043 HydrophobicContact CD1-CG 4.35Å; L956-M1043 HydrophobicContact CD2-CG 3.91Å; A1039-M1043 WeakPolarHBondContact O-CB 3.35Å; A1039-M1043 PolarHBondContact O-N 2.94Å; I1040-M1043 WeakPolarHBondContact O-CB 3.49Å; I1040-M1043 PolarHBondContact O-N 2.76Å; I1041-M1043 PolarHBondContact O-N 2.84Å; M1043-D1045 VanDerWaalsContact C-N 3.3Å; M1043-D1045 PolarHBondContact O-N 2.88Å; M1043-I1046 PolarHBondContact O-N 3.14Å; M1043-L1047 HydrophobicContact CG-CD1 3.85Å; M1043-L1047 HydrophobicContact CG-CG 4.16Å; M1043-L1047 WeakPolarHBondContact O-CB 3.47Å; M1043-L1047 WeakPolarHBondContact O-CD1 3.43Å; M1043-L1047 WeakPolarHBondContact O-CG 3.46Å; M1043-L1047 PolarHBondContact O-N 3.44Å; M1043-L1047 HydrophobicContact SD-CD1 4.49Å; M1043-L1047 HydrophobicContact SD-CD2 4.49Å; M1043-L1047 HydrophobicContact SD-CG 4.21Å |
| 1044 | S | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -53 | -48.5 | 172.1 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | T1022 I1040 I1041 I1046 L1047 K1048 | T1022-S1044 PolarHBondContact O-OG 3.24Å; I1040-S1044 PolarHBondContact O-N 3.2Å; I1041-S1044 WeakPolarHBondContact O-CA 3.3Å; I1041-S1044 VanDerWaalsContact O-CB 3.22Å; I1041-S1044 WeakPolarHBondContact O-CB 3.5Å; I1041-S1044 PolarHBondContact O-N 2.72Å; S1044-I1046 PolarHBondContact O-N 2.85Å; S1044-L1047 PolarHBondContact O-N 3.29Å; S1044-K1048 WeakPolarHBondContact O-CG 3.41Å; S1044-K1048 PolarHBondContact O-N 2.96Å |
| 1045 | D | 96 | Very high | 91.1 | Very high | 81 Ų | 81 | 38.3 Ų | 38.3 | 43% | 0.433 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 178.9 | -68.9 | -27 | 0 | 0 | 0 | 112.2 | I1041 Q1042 M1043 L1047 K1048 I1049 | I1041-D1045 PolarHBondContact O-N 3.22Å; Q1042-D1045 PolarHBondContact O-N 2.84Å; M1043-D1045 VanDerWaalsContact C-N 3.3Å; M1043-D1045 PolarHBondContact O-N 2.88Å; D1045-L1047 VanDerWaalsContact C-N 3.34Å; D1045-L1047 PolarHBondContact O-N 3.35Å; D1045-K1048 WeakPolarHBondContact O-CB 3.37Å; D1045-K1048 PolarHBondContact O-N 3.47Å; D1045-I1049 WeakPolarHBondContact O-CG1 3.5Å; D1045-I1049 PolarHBondContact O-N 2.8Å |
| 1046 | I | 95.2 | Very high | 92 | Very high | 17 Ų | 17 | 39.9 Ų | 39.9 | 9% | 0.087 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 175 | -72.7 | 172.6 | 0 | 0 | 0 | 111.3 | F898 L936 I941 L944 Q1042 M1043 S1044 I1049 M1050 | F898-I1046 HydrophobicContact CZ-CG2 4.49Å; L936-I1046 HydrophobicContact CD1-CG1 4.24Å; L936-I1046 HydrophobicContact CD2-CB 4.3Å; L936-I1046 HydrophobicContact CD2-CD1 4.14Å; L936-I1046 HydrophobicContact CD2-CG1 3.85Å; L936-I1046 HydrophobicContact CD2-CG2 3.65Å; I941-I1046 HydrophobicContact CD1-CG2 4.01Å; I941-I1046 HydrophobicContact CG1-CG2 3.61Å; L944-I1046 HydrophobicContact CD2-CD1 3.68Å; Q1042-I1046 VanDerWaalsContact O-CG1 3.31Å; Q1042-I1046 WeakPolarHBondContact O-CG1 3.38Å; Q1042-I1046 PolarHBondContact O-N 2.98Å; M1043-I1046 PolarHBondContact O-N 3.14Å; S1044-I1046 PolarHBondContact O-N 2.85Å; I1046-I1049 WeakPolarHBondContact O-CB 3.31Å; I1046-I1049 PolarHBondContact O-N 2.99Å; I1046-M1050 WeakPolarHBondContact O-CB 3.46Å; I1046-M1050 PolarHBondContact O-N 3.35Å |
| 1047 | L | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.2 | -35.5 | 178.5 | -67.2 | 167.3 | 0 | 0 | 0 | 111.7 | F987 T1022 L1025 M1043 S1044 D1045 I1049 M1050 Y1051 L1073 | F987-L1047 HydrophobicContact CE2-CD1 4.06Å; F987-L1047 HydrophobicContact CZ-CD1 3.6Å; F987-L1047 HydrophobicContact CZ-CD2 3.86Å; F987-L1047 HydrophobicContact CZ-CG 4.37Å; T1022-L1047 HydrophobicContact CG2-CB 3.56Å; L1025-L1047 HydrophobicContact CD1-CD1 3.54Å; M1043-L1047 HydrophobicContact CG-CD1 3.85Å; M1043-L1047 HydrophobicContact CG-CG 4.16Å; M1043-L1047 WeakPolarHBondContact O-CB 3.47Å; M1043-L1047 WeakPolarHBondContact O-CD1 3.43Å; M1043-L1047 WeakPolarHBondContact O-CG 3.46Å; M1043-L1047 PolarHBondContact O-N 3.44Å; M1043-L1047 HydrophobicContact SD-CD1 4.49Å; M1043-L1047 HydrophobicContact SD-CD2 4.49Å; M1043-L1047 HydrophobicContact SD-CG 4.21Å; S1044-L1047 PolarHBondContact O-N 3.29Å; D1045-L1047 VanDerWaalsContact C-N 3.34Å; D1045-L1047 PolarHBondContact O-N 3.35Å; L1047-I1049 VanDerWaalsContact C-N 3.33Å; L1047-M1050 HydrophobicContact CD2-CE 3.44Å; L1047-M1050 VanDerWaalsContact CD2-CE 3.44Å; L1047-M1050 HydrophobicContact CD2-SD 4.19Å; L1047-M1050 WeakPolarHBondContact O-CB 3.49Å; L1047-M1050 PolarHBondContact O-N 2.9Å; L1047-Y1051 HydrophobicContact CB-CD2 4.47Å; L1047-Y1051 HydrophobicContact CD2-CE2 4.44Å; L1047-Y1051 VanDerWaalsContact O-CD2 3.25Å; L1047-Y1051 WeakPolarHBondContact O-CD2 3.46Å; L1047-Y1051 PolarHBondContact O-N 3.27Å; L1047-L1073 HydrophobicContact CD2-CD2 3.36Å |
| 1048 | K | 97.1 | Very high | 93.1 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 31% | 0.313 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 171.1 | -72.2 | 173.1 | -179.2 | -172.8 | 0 | 110.5 | T1022 E1023 S1044 D1045 M1050 K1052 | T1022-K1048 HydrophobicContact CG2-CB 4.5Å; T1022-K1048 HydrophobicContact CG2-CG 3.79Å; E1023-K1048 WeakPolarHBondContact OE1-CE 3.45Å; E1023-K1048 IonicContact OE1-NZ 2.78Å; E1023-K1048 PolarHBondContact OE1-NZ 2.99Å; E1023-K1048 IonicContact OE2-NZ 2.87Å; S1044-K1048 WeakPolarHBondContact O-CG 3.41Å; S1044-K1048 PolarHBondContact O-N 2.96Å; D1045-K1048 WeakPolarHBondContact O-CB 3.37Å; D1045-K1048 PolarHBondContact O-N 3.47Å; K1048-M1050 VanDerWaalsContact C-N 3.35Å; K1048-K1052 WeakPolarHBondContact O-CB 3.44Å; K1048-K1052 PolarHBondContact O-N 2.83Å |
| 1049 | I | 95.7 | Very high | 93.4 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 30% | 0.297 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 174.1 | -65.8 | 165 | 0 | 0 | 0 | 110.9 | L935 D1045 I1046 L1047 P1053 | L935-I1049 HydrophobicContact CB-CG2 3.77Å; L935-I1049 HydrophobicContact CD1-CG2 4.34Å; D1045-I1049 WeakPolarHBondContact O-CG1 3.5Å; D1045-I1049 PolarHBondContact O-N 2.8Å; I1046-I1049 WeakPolarHBondContact O-CB 3.31Å; I1046-I1049 PolarHBondContact O-N 2.99Å; L1047-I1049 VanDerWaalsContact C-N 3.33Å; I1049-P1053 WeakPolarHBondContact O-CD 3.4Å |
| 1050 | M | 95.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | -178.9 | -176.8 | 178.3 | 78.9 | 0 | 0 | 112.8 | F898 F903 I1046 L1047 K1048 P1053 L1069 L1073 | F898-M1050 HydrophobicContact CD1-CG 3.91Å; F898-M1050 HydrophobicContact CE1-CB 3.88Å; F898-M1050 HydrophobicContact CE1-CG 3.33Å; F898-M1050 HydrophobicContact CE1-SD 3.63Å; F898-M1050 HydrophobicContact CE2-CB 3.95Å; F898-M1050 HydrophobicContact CE2-CG 4.27Å; F898-M1050 HydrophobicContact CZ-CB 3.49Å; F898-M1050 VanDerWaalsContact CZ-CB 3.49Å; F898-M1050 HydrophobicContact CZ-CG 3.53Å; F898-M1050 HydrophobicContact CZ-SD 4.03Å; F903-M1050 HydrophobicContact CE2-SD 4.46Å; F903-M1050 HydrophobicContact CZ-SD 4.28Å; I1046-M1050 WeakPolarHBondContact O-CB 3.46Å; I1046-M1050 PolarHBondContact O-N 3.35Å; L1047-M1050 HydrophobicContact CD2-CE 3.44Å; L1047-M1050 VanDerWaalsContact CD2-CE 3.44Å; L1047-M1050 HydrophobicContact CD2-SD 4.19Å; L1047-M1050 WeakPolarHBondContact O-CB 3.49Å; L1047-M1050 PolarHBondContact O-N 2.9Å; K1048-M1050 VanDerWaalsContact C-N 3.35Å; M1050-P1053 WeakPolarHBondContact O-CD 2.78Å; M1050-L1069 HydrophobicContact CE-CB 4.07Å; M1050-L1069 HydrophobicContact CG-CB 4.36Å; M1050-L1069 HydrophobicContact CG-CD1 4.11Å; M1050-L1069 HydrophobicContact CG-CD2 3.69Å; M1050-L1069 HydrophobicContact CG-CG 4.27Å; M1050-L1069 HydrophobicContact SD-CB 4.14Å; M1050-L1069 HydrophobicContact SD-CD2 4.17Å; M1050-L1073 HydrophobicContact CE-CD2 4.1Å |
| 1051 | Y | 97.1 | Very high | 93.5 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -87.2 | -17.7 | -176.7 | -69.3 | -56.7 | 0 | 0 | 0 | 113.7 | A1018 L1021 T1022 L1047 P1053 L1054 F1066 L1069 T1070 | A1018-Y1051 HydrophobicContact CB-CD1 4.14Å; A1018-Y1051 HydrophobicContact CB-CD2 3.98Å; A1018-Y1051 HydrophobicContact CB-CE2 4.48Å; A1018-Y1051 HydrophobicContact CB-CG 3.78Å; L1021-Y1051 HydrophobicContact CD1-CE2 4.5Å; T1022-Y1051 HydrophobicContact CG2-CD2 3.99Å; L1047-Y1051 HydrophobicContact CB-CD2 4.47Å; L1047-Y1051 HydrophobicContact CD2-CE2 4.44Å; L1047-Y1051 VanDerWaalsContact O-CD2 3.25Å; L1047-Y1051 WeakPolarHBondContact O-CD2 3.46Å; L1047-Y1051 PolarHBondContact O-N 3.27Å; Y1051-P1053 VanDerWaalsContact C-CD 3.41Å; Y1051-P1053 VanDerWaalsContact C-N 3.32Å; Y1051-L1054 HydrophobicContact CD1-CD1 3.59Å; Y1051-L1054 HydrophobicContact CE1-CD1 4.38Å; Y1051-L1054 HydrophobicContact CG-CD1 4.42Å; Y1051-L1054 VanDerWaalsContact O-CB 3.26Å; Y1051-L1054 WeakPolarHBondContact O-CB 3.43Å; Y1051-L1054 WeakPolarHBondContact O-CG 3.45Å; Y1051-L1054 PolarHBondContact O-N 3.21Å; Y1051-F1066 HydrophobicContact CD1-CD2 4.06Å; Y1051-F1066 HydrophobicContact CD1-CE2 4.23Å; Y1051-F1066 AromaticContact CE1-CD2 3.63Å; Y1051-F1066 HydrophobicContact CE1-CD2 3.63Å; Y1051-F1066 AromaticContact CE1-CE2 3.59Å; Y1051-F1066 HydrophobicContact CE1-CE2 3.59Å; Y1051-F1066 AromaticContact CZ-CE2 3.89Å; Y1051-L1069 HydrophobicContact CD1-CD1 3.85Å; Y1051-L1069 HydrophobicContact CE1-CB 4.1Å; Y1051-L1069 HydrophobicContact CE1-CD1 4.13Å; Y1051-T1070 PolarHBondContact OH-OG1 3.05Å |
| 1052 | K | 95 | Very high | 93.7 | Very high | 152 Ų | 152 | 35.1 Ų | 35.1 | 66% | 0.661 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | -47.7 | -45.5 | -178.9 | 176.4 | 179.4 | -177.7 | -176 | 0 | 113.6 | K1048 L1054 S1055 | K1048-K1052 WeakPolarHBondContact O-CB 3.44Å; K1048-K1052 PolarHBondContact O-N 2.83Å; K1052-L1054 PolarHBondContact O-N 3.05Å; K1052-S1055 PolarHBondContact O-N 3.45Å; K1052-S1055 PolarHBondContact O-OG 2.77Å |
| 1053 | P | 93.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 5% | 0.045 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -62.2 | -23.5 | -179.9 | -23.7 | 35.2 | 0 | 0 | 0 | 114.4 | A891 D894 L895 L935 I1049 M1050 Y1051 S1055 N1056 | A891-P1053 HydrophobicContact CB-CB 4.06Å; A891-P1053 WeakPolarHBondContact O-CB 3.3Å; D894-P1053 HydrophobicContact CB-CG 4.14Å; L895-P1053 HydrophobicContact CD1-CB 4.16Å; L895-P1053 HydrophobicContact CD2-CB 3.95Å; L895-P1053 HydrophobicContact CD2-CG 4.2Å; L895-P1053 HydrophobicContact CG-CB 3.73Å; L895-P1053 HydrophobicContact CG-CG 4.29Å; L935-P1053 HydrophobicContact CD1-CG 3.92Å; I1049-P1053 WeakPolarHBondContact O-CD 3.4Å; M1050-P1053 WeakPolarHBondContact O-CD 2.78Å; Y1051-P1053 VanDerWaalsContact C-CD 3.41Å; Y1051-P1053 VanDerWaalsContact C-N 3.32Å; P1053-S1055 PolarHBondContact O-N 2.96Å; P1053-S1055 VanDerWaalsContact O-N 3.11Å; P1053-N1056 PolarHBondContact O-N 3.27Å |
| 1054 | L | 94.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -61.6 | -21.2 | 179.7 | -62.8 | -177.9 | 0 | 0 | 0 | 113.5 | L895 Y1051 K1052 N1056 I1057 R1059 F1066 L1069 | L895-L1054 HydrophobicContact CD1-CD2 4.09Å; L895-L1054 HydrophobicContact CD2-CD2 4.2Å; Y1051-L1054 HydrophobicContact CD1-CD1 3.59Å; Y1051-L1054 HydrophobicContact CE1-CD1 4.38Å; Y1051-L1054 HydrophobicContact CG-CD1 4.42Å; Y1051-L1054 VanDerWaalsContact O-CB 3.26Å; Y1051-L1054 WeakPolarHBondContact O-CB 3.43Å; Y1051-L1054 WeakPolarHBondContact O-CG 3.45Å; Y1051-L1054 PolarHBondContact O-N 3.21Å; K1052-L1054 PolarHBondContact O-N 3.05Å; L1054-N1056 PolarHBondContact O-N 3.1Å; L1054-I1057 HydrophobicContact CD2-CD1 3.78Å; L1054-R1059 PolarHBondContact O-NH1 3.36Å; L1054-F1066 HydrophobicContact CD1-CB 4.04Å; L1054-F1066 HydrophobicContact CD1-CD2 3.81Å; L1054-F1066 HydrophobicContact CD1-CG 4.44Å; L1054-L1069 HydrophobicContact CD1-CD1 4.38Å; L1054-L1069 HydrophobicContact CD2-CD1 4.33Å; L1054-L1069 HydrophobicContact CG-CD1 4.4Å |
| 1055 | S | 91.7 | Very high | 93.7 | Very high | 53 Ų | 53 | 30.5 Ų | 30.5 | 37% | 0.371 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -71.8 | -22.1 | 176.2 | -48.5 | 0 | 0 | 0 | 0 | 112.6 | N1015 K1052 P1053 | N1015-S1055 VanDerWaalsContact ND2-CA 3.31Å; N1015-S1055 WeakPolarHBondContact ND2-CA 3.25Å; N1015-S1055 PolarHBondContact ND2-N 2.83Å; N1015-S1055 PolarHBondContact ND2-OG 3.3Å; K1052-S1055 PolarHBondContact O-N 3.45Å; K1052-S1055 PolarHBondContact O-OG 2.77Å; P1053-S1055 PolarHBondContact O-N 2.96Å; P1053-S1055 VanDerWaalsContact O-N 3.11Å |
| 1056 | N | 89.6 | Confident | 93.7 | Very high | 80 Ų | 80 | 26.8 Ų | 26.8 | 43% | 0.428 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -110.8 | 12.9 | -172.8 | -65.8 | -8.2 | 0 | 0 | 0 | 112.2 | Q888 A891 P1053 L1054 | Q888-N1056 WeakPolarHBondContact CA-O 3.36Å; Q888-N1056 WeakPolarHBondContact CG-O 3.49Å; A891-N1056 HydrophobicContact CB-CB 3.77Å; P1053-N1056 PolarHBondContact O-N 3.27Å; L1054-N1056 PolarHBondContact O-N 3.1Å |
| 1057 | I | 90.9 | Very high | 93.7 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -108.4 | 156 | 174.6 | 67.7 | 174.9 | 0 | 0 | 0 | 110.5 | A891 I892 L895 L1054 R1059 L1061 V1062 Y1065 | A891-I1057 HydrophobicContact CB-CG2 3.76Å; I892-I1057 HydrophobicContact CD1-CG2 4.44Å; I892-I1057 HydrophobicContact CG1-CB 4.43Å; I892-I1057 HydrophobicContact CG1-CG2 3.62Å; L895-I1057 HydrophobicContact CD1-CD1 4.15Å; L895-I1057 HydrophobicContact CD1-CG2 4.08Å; L1054-I1057 HydrophobicContact CD2-CD1 3.78Å; I1057-R1059 PolarHBondContact O-N 3.44Å; I1057-L1061 HydrophobicContact CD1-CB 4.33Å; I1057-V1062 HydrophobicContact CD1-CG2 3.95Å; I1057-V1062 HydrophobicContact CG1-CG2 3.7Å; I1057-Y1065 HydrophobicContact CD1-CD2 3.89Å; I1057-Y1065 HydrophobicContact CD1-CG 4.09Å |
| 1058 | P | 89.6 | Confident | 93.5 | Very high | 9 Ų | 9 | 26 Ų | 26 | 6% | 0.058 | 13% | 0.125 | C | C | . | . | trans | -51.4 | 132.1 | 173 | -26.3 | 31.8 | 0 | 0 | 0 | 112.2 | L884 Y1060 L1061 | L884-P1058 HydrophobicContact CD1-CG 4.44Å; L884-P1058 HydrophobicContact CD2-CG 3.49Å; L884-P1058 VanDerWaalsContact CD2-CG 3.49Å; P1058-Y1060 VanDerWaalsContact C-N 3.26Å; P1058-Y1060 HydrophobicContact CB-CD1 3.65Å; P1058-Y1060 HydrophobicContact CB-CE1 3.38Å; P1058-Y1060 HydrophobicContact CG-CE1 4.21Å; P1058-Y1060 PolarHBondContact O-N 2.95Å; P1058-Y1060 VanDerWaalsContact O-N 3.17Å; P1058-L1061 HydrophobicContact CB-CD1 4.25Å; P1058-L1061 HydrophobicContact CB-CG 4.38Å; P1058-L1061 HydrophobicContact CG-CD1 4.09Å; P1058-L1061 WeakPolarHBondContact O-CB 3.46Å; P1058-L1061 PolarHBondContact O-N 3.13Å | ||
| 1059 | R | 90.2 | Very high | 93.4 | Very high | 33 Ų | 33 | 22.6 Ų | 22.6 | 13% | 0.125 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -58.6 | -35.6 | -171.6 | -62.4 | -48.9 | -59.3 | 174.6 | -1.5 | 113.6 | H860 L1011 R1012 G1014 N1015 L1054 I1057 L1061 V1062 P1063 | H860-R1059 WeakPolarHBondContact NE2-CD 3.45Å; H860-R1059 VanDerWaalsContact NE2-CG 3.29Å; H860-R1059 WeakPolarHBondContact NE2-CG 3.4Å; L1011-R1059 PolarHBondContact O-NH2 3.31Å; R1012-R1059 WeakPolarHBondContact CG-O 3.47Å; R1012-R1059 WeakPolarHBondContact O-CB 3.44Å; R1012-R1059 PolarHBondContact O-NE 3.41Å; G1014-R1059 VanDerWaalsContact C-NH2 3.33Å; N1015-R1059 PolarHBondContact OD1-NH1 3.2Å; N1015-R1059 PolarHBondContact OD1-NH2 3.17Å; L1054-R1059 PolarHBondContact O-NH1 3.36Å; I1057-R1059 PolarHBondContact O-N 3.44Å; R1059-L1061 PolarHBondContact O-N 3.37Å; R1059-V1062 WeakPolarHBondContact O-CB 3.2Å; R1059-V1062 PolarHBondContact O-N 2.95Å; R1059-P1063 WeakPolarHBondContact O-CD 3.3Å |
| 1060 | Y | 88.7 | Confident | 93.3 | Very high | 60 Ų | 60 | 19.8 Ų | 19.8 | 24% | 0.235 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -63.1 | -22.2 | 177.6 | 79.2 | -86.7 | 0 | 0 | 0 | 113.7 | A637 F764 P1058 | A637-Y1060 HydrophobicContact CB-CE2 4.49Å; F764-Y1060 WeakPolarHBondContact CD1-OH 3.26Å; F764-Y1060 HydrophobicContact CE1-CE2 4.24Å; F764-Y1060 AromaticContact CE1-CZ 3.84Å; F764-Y1060 VanDerWaalsContact CE1-OH 3.25Å; F764-Y1060 WeakPolarHBondContact CE1-OH 3.34Å; P1058-Y1060 VanDerWaalsContact C-N 3.26Å; P1058-Y1060 HydrophobicContact CB-CD1 3.65Å; P1058-Y1060 HydrophobicContact CB-CE1 3.38Å; P1058-Y1060 HydrophobicContact CG-CE1 4.21Å; P1058-Y1060 PolarHBondContact O-N 2.95Å; P1058-Y1060 VanDerWaalsContact O-N 3.17Å |
| 1061 | L | 92.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -85.7 | -19.9 | 175.2 | -64.1 | 177.6 | 0 | 0 | 0 | 113 | R769 I892 I1057 P1058 R1059 A1064 Y1065 | R769-L1061 HydrophobicContact CG-CD1 4.48Å; I892-L1061 HydrophobicContact CD1-CD1 4.13Å; I1057-L1061 HydrophobicContact CD1-CB 4.33Å; P1058-L1061 HydrophobicContact CB-CD1 4.25Å; P1058-L1061 HydrophobicContact CB-CG 4.38Å; P1058-L1061 HydrophobicContact CG-CD1 4.09Å; P1058-L1061 WeakPolarHBondContact O-CB 3.46Å; P1058-L1061 PolarHBondContact O-N 3.13Å; R1059-L1061 PolarHBondContact O-N 3.37Å; L1061-A1064 PolarHBondContact O-N 3.11Å; L1061-A1064 VanDerWaalsContact O-N 3.14Å; L1061-Y1065 HydrophobicContact CB-CD2 4.01Å; L1061-Y1065 HydrophobicContact CB-CE2 4.09Å; L1061-Y1065 HydrophobicContact CD1-CE2 4.37Å; L1061-Y1065 WeakPolarHBondContact O-CD2 3.35Å; L1061-Y1065 PolarHBondContact O-N 3.45Å; L1061-Y1065 VanDerWaalsContact O-N 3.14Å |
| 1062 | V | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.2 | -44.1 | -175.1 | 176 | 0 | 0 | 0 | 0 | 112.6 | L1011 I1057 R1059 A1064 Y1065 F1066 | L1011-V1062 HydrophobicContact CB-CG1 4.43Å; L1011-V1062 WeakPolarHBondContact O-CG1 3.33Å; I1057-V1062 HydrophobicContact CD1-CG2 3.95Å; I1057-V1062 HydrophobicContact CG1-CG2 3.7Å; R1059-V1062 WeakPolarHBondContact O-CB 3.2Å; R1059-V1062 PolarHBondContact O-N 2.95Å; V1062-A1064 VanDerWaalsContact C-N 3.34Å; V1062-A1064 PolarHBondContact O-N 3.17Å; V1062-Y1065 PolarHBondContact O-N 3.46Å; V1062-F1066 WeakPolarHBondContact O-CB 3.28Å; V1062-F1066 PolarHBondContact O-N 3.23Å |
| 1063 | P | 95.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -53 | -48.4 | 175.4 | -28.9 | 37 | 0 | 0 | 0 | 113.3 | F640 C1008 L1011 R1012 R1059 E1067 | F640-P1063 HydrophobicContact CE1-CB 3.73Å; F640-P1063 HydrophobicContact CZ-CB 4.31Å; C1008-P1063 HydrophobicContact CB-CB 4.37Å; C1008-P1063 HydrophobicContact CB-CG 4.28Å; L1011-P1063 HydrophobicContact CB-CG 4.11Å; L1011-P1063 HydrophobicContact CD1-CB 4.47Å; R1012-P1063 HydrophobicContact CG-CG 3.95Å; R1059-P1063 WeakPolarHBondContact O-CD 3.3Å; P1063-E1067 WeakPolarHBondContact O-CB 3.28Å; P1063-E1067 PolarHBondContact O-N 3.24Å |
| 1064 | A | 92.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.8 | -46.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A639 F640 F641 L1061 V1062 E1067 A1068 | A639-A1064 WeakPolarHBondContact O-CB 3.17Å; F640-A1064 HydrophobicContact CD1-CB 4Å; F641-A1064 HydrophobicContact CD2-CB 4.24Å; F641-A1064 WeakPolarHBondContact CD2-O 3.45Å; F641-A1064 HydrophobicContact CE2-CB 3.84Å; F641-A1064 WeakPolarHBondContact CE2-O 3.27Å; L1061-A1064 PolarHBondContact O-N 3.11Å; L1061-A1064 VanDerWaalsContact O-N 3.14Å; V1062-A1064 VanDerWaalsContact C-N 3.34Å; V1062-A1064 PolarHBondContact O-N 3.17Å; A1064-E1067 PolarHBondContact O-N 3.28Å; A1064-A1068 WeakPolarHBondContact O-CB 3.13Å; A1064-A1068 PolarHBondContact O-N 3.3Å |
| 1065 | Y | 94.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -74.4 | -36.6 | -179.1 | -77.2 | -90.7 | 0 | 0 | 0 | 112.6 | F641 R769 I892 L895 H896 L907 I1057 L1061 V1062 E1067 A1068 L1069 | F641-Y1065 HydrophobicContact CE1-CE1 4.48Å; F641-Y1065 HydrophobicContact CE2-CD1 4.11Å; F641-Y1065 HydrophobicContact CE2-CD2 4.16Å; F641-Y1065 HydrophobicContact CE2-CE1 4.38Å; F641-Y1065 HydrophobicContact CE2-CE2 4.39Å; F641-Y1065 HydrophobicContact CE2-CG 4.02Å; F641-Y1065 AromaticContact CZ-CD1 3.82Å; F641-Y1065 HydrophobicContact CZ-CD1 3.82Å; F641-Y1065 AromaticContact CZ-CD2 3.92Å; F641-Y1065 HydrophobicContact CZ-CD2 3.92Å; F641-Y1065 AromaticContact CZ-CE1 3.64Å; F641-Y1065 HydrophobicContact CZ-CE1 3.64Å; F641-Y1065 AromaticContact CZ-CE2 3.7Å; F641-Y1065 HydrophobicContact CZ-CE2 3.7Å; F641-Y1065 AromaticContact CZ-CG 3.98Å; F641-Y1065 HydrophobicContact CZ-CG 3.98Å; F641-Y1065 AromaticContact CZ-CZ 3.56Å; R769-Y1065 PolarHBondContact NE-OH 3.41Å; R769-Y1065 VanDerWaalsContact NE-OH 3.12Å; I892-Y1065 HydrophobicContact CG2-CE1 4.17Å; I892-Y1065 VanDerWaalsContact CG2-OH 3.23Å; I892-Y1065 WeakPolarHBondContact CG2-OH 3.46Å; L895-Y1065 HydrophobicContact CB-CD1 4.01Å; L895-Y1065 HydrophobicContact CB-CE1 4.2Å; L895-Y1065 HydrophobicContact CD1-CD1 3.59Å; L895-Y1065 HydrophobicContact CD1-CE1 4.1Å; L895-Y1065 HydrophobicContact CD1-CG 3.99Å; L895-Y1065 HydrophobicContact CG-CD1 4.33Å; H896-Y1065 AromaticContact CD2-CE1 3.74Å; H896-Y1065 AromaticContact NE2-CE1 3.62Å; H896-Y1065 AromaticContact NE2-CZ 3.91Å; H896-Y1065 PolarHBondContact NE2-OH 3.08Å; L907-Y1065 HydrophobicContact CD1-CD1 4.46Å; L907-Y1065 HydrophobicContact CD1-CE1 4.3Å; I1057-Y1065 HydrophobicContact CD1-CD2 3.89Å; I1057-Y1065 HydrophobicContact CD1-CG 4.09Å; L1061-Y1065 HydrophobicContact CB-CD2 4.01Å; L1061-Y1065 HydrophobicContact CB-CE2 4.09Å; L1061-Y1065 HydrophobicContact CD1-CE2 4.37Å; L1061-Y1065 WeakPolarHBondContact O-CD2 3.35Å; L1061-Y1065 PolarHBondContact O-N 3.45Å; L1061-Y1065 VanDerWaalsContact O-N 3.14Å; V1062-Y1065 PolarHBondContact O-N 3.46Å; Y1065-E1067 VanDerWaalsContact C-N 3.3Å; Y1065-A1068 WeakPolarHBondContact O-CB 3.49Å; Y1065-A1068 PolarHBondContact O-N 3.25Å; Y1065-L1069 WeakPolarHBondContact O-CG 3.31Å; Y1065-L1069 PolarHBondContact O-N 2.79Å |
| 1066 | F | 96.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.009 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 172.6 | 179.4 | -94.6 | 0 | 0 | 0 | 110.4 | I990 L994 L1011 L1017 A1018 L1021 Y1051 L1054 V1062 L1069 T1070 | I990-F1066 HydrophobicContact CG2-CE1 3.93Å; I990-F1066 HydrophobicContact CG2-CZ 4.42Å; L994-F1066 HydrophobicContact CD1-CD1 3.95Å; L994-F1066 HydrophobicContact CD1-CE1 3.92Å; L1011-F1066 HydrophobicContact CD1-CB 4.36Å; L1011-F1066 HydrophobicContact CD1-CD1 3.59Å; L1011-F1066 HydrophobicContact CD1-CE1 4.21Å; L1011-F1066 HydrophobicContact CD1-CG 4.16Å; L1011-F1066 HydrophobicContact CD2-CB 4.29Å; L1011-F1066 HydrophobicContact CD2-CD1 3.67Å; L1011-F1066 HydrophobicContact CD2-CD2 4.05Å; L1011-F1066 HydrophobicContact CD2-CE1 3.96Å; L1011-F1066 HydrophobicContact CD2-CE2 4.33Å; L1011-F1066 HydrophobicContact CD2-CG 3.72Å; L1011-F1066 HydrophobicContact CD2-CZ 4.28Å; L1011-F1066 HydrophobicContact CG-CD1 4.31Å; L1017-F1066 HydrophobicContact CB-CZ 4.34Å; L1017-F1066 HydrophobicContact CD2-CE1 3.77Å; L1017-F1066 HydrophobicContact CD2-CZ 3.75Å; L1017-F1066 HydrophobicContact CG-CE1 4.35Å; L1017-F1066 HydrophobicContact CG-CZ 3.81Å; A1018-F1066 HydrophobicContact CB-CD2 4.35Å; A1018-F1066 HydrophobicContact CB-CE2 3.9Å; L1021-F1066 HydrophobicContact CD1-CE2 4.29Å; L1021-F1066 HydrophobicContact CD1-CZ 3.83Å; Y1051-F1066 HydrophobicContact CD1-CD2 4.06Å; Y1051-F1066 HydrophobicContact CD1-CE2 4.23Å; Y1051-F1066 AromaticContact CE1-CD2 3.63Å; Y1051-F1066 HydrophobicContact CE1-CD2 3.63Å; Y1051-F1066 AromaticContact CE1-CE2 3.59Å; Y1051-F1066 HydrophobicContact CE1-CE2 3.59Å; Y1051-F1066 AromaticContact CZ-CE2 3.89Å; L1054-F1066 HydrophobicContact CD1-CB 4.04Å; L1054-F1066 HydrophobicContact CD1-CD2 3.81Å; L1054-F1066 HydrophobicContact CD1-CG 4.44Å; V1062-F1066 WeakPolarHBondContact O-CB 3.28Å; V1062-F1066 PolarHBondContact O-N 3.23Å; F1066-L1069 PolarHBondContact O-N 3.09Å; F1066-T1070 HydrophobicContact CE1-CG2 4.41Å; F1066-T1070 HydrophobicContact CZ-CG2 4.45Å; F1066-T1070 WeakPolarHBondContact O-CB 3.16Å; F1066-T1070 PolarHBondContact O-N 2.56Å; F1066-T1070 PolarHBondContact O-OG1 3.13Å |
| 1067 | E | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | 175.4 | -169.6 | -94.1 | 158.5 | 0 | 0 | 112.4 | F640 R643 L994 R998 P1063 A1064 Y1065 L1069 T1070 V1071 | F640-E1067 HydrophobicContact CD2-CB 4.06Å; F640-E1067 HydrophobicContact CD2-CG 3.53Å; F640-E1067 WeakPolarHBondContact CD2-OE2 3.45Å; F640-E1067 HydrophobicContact CE2-CB 3.91Å; F640-E1067 HydrophobicContact CE2-CG 3.48Å; F640-E1067 VanDerWaalsContact CE2-CG 3.48Å; F640-E1067 HydrophobicContact CG-CG 4.36Å; F640-E1067 HydrophobicContact CZ-CB 4.19Å; F640-E1067 HydrophobicContact CZ-CG 4.24Å; R643-E1067 IonicContact CZ-OE1 3.03Å; R643-E1067 IonicContact CZ-OE2 3.56Å; R643-E1067 PolarHBondContact NH1-O 2.69Å; R643-E1067 PolarHBondContact NH2-O 2.94Å; R643-E1067 IonicContact NH2-OE1 2.76Å; R643-E1067 PolarHBondContact NH2-OE1 3.47Å; R643-E1067 IonicContact NH2-OE2 2.68Å; R643-E1067 PolarHBondContact NH2-OE2 3.26Å; L994-E1067 HydrophobicContact CB-CG 3.63Å; L994-E1067 HydrophobicContact CD1-CB 4.02Å; L994-E1067 HydrophobicContact CD1-CG 3.93Å; L994-E1067 HydrophobicContact CD2-CB 4.3Å; L994-E1067 HydrophobicContact CD2-CG 4.19Å; L994-E1067 HydrophobicContact CG-CG 4.14Å; R998-E1067 IonicContact CZ-OE1 2.75Å; R998-E1067 IonicContact NE-OE1 2.69Å; R998-E1067 IonicContact NH1-OE1 3.72Å; P1063-E1067 WeakPolarHBondContact O-CB 3.28Å; P1063-E1067 PolarHBondContact O-N 3.24Å; A1064-E1067 PolarHBondContact O-N 3.28Å; Y1065-E1067 VanDerWaalsContact C-N 3.3Å; E1067-L1069 PolarHBondContact O-N 2.86Å; E1067-T1070 PolarHBondContact O-N 3.22Å; E1067-V1071 HydrophobicContact CG-CG2 3.86Å; E1067-V1071 VanDerWaalsContact O-CB 3.27Å; E1067-V1071 WeakPolarHBondContact O-CB 3.27Å; E1067-V1071 WeakPolarHBondContact O-CG2 3.46Å; E1067-V1071 PolarHBondContact O-N 3.44Å; E1067-V1071 WeakPolarHBondContact OE1-CG2 3.22Å |
| 1068 | A | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -52.9 | -54.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F641 R643 M899 L907 A1064 Y1065 T1072 | F641-A1068 HydrophobicContact CD2-CB 3.7Å; F641-A1068 HydrophobicContact CE2-CB 3.85Å; R643-A1068 VanDerWaalsContact NH1-CA 3.26Å; R643-A1068 PolarHBondContact NH1-O 2.89Å; M899-A1068 HydrophobicContact CE-CB 4.31Å; M899-A1068 WeakPolarHBondContact CE-O 3.06Å; L907-A1068 HydrophobicContact CD1-CB 4.38Å; L907-A1068 HydrophobicContact CD2-CB 4.27Å; A1064-A1068 WeakPolarHBondContact O-CB 3.13Å; A1064-A1068 PolarHBondContact O-N 3.3Å; Y1065-A1068 WeakPolarHBondContact O-CB 3.49Å; Y1065-A1068 PolarHBondContact O-N 3.25Å; A1068-T1072 VanDerWaalsContact O-CB 3.22Å; A1068-T1072 WeakPolarHBondContact O-CB 3.47Å; A1068-T1072 PolarHBondContact O-N 2.57Å; A1068-T1072 PolarHBondContact O-OG1 3.36Å; A1068-T1072 VanDerWaalsContact O-OG1 3.06Å |
| 1069 | L | 94.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.8 | -49.3 | -178.6 | -64.5 | 166.4 | 0 | 0 | 0 | 111.3 | L895 F898 M899 M1050 Y1051 L1054 Y1065 F1066 E1067 L1073 | L895-L1069 HydrophobicContact CD2-CD1 3.68Å; L895-L1069 HydrophobicContact CD2-CD2 4.33Å; L895-L1069 HydrophobicContact CD2-CG 4.38Å; F898-L1069 HydrophobicContact CD1-CD2 4.07Å; M899-L1069 HydrophobicContact CG-CD2 4.19Å; M899-L1069 HydrophobicContact SD-CD2 3.62Å; M899-L1069 HydrophobicContact SD-CG 4.4Å; M1050-L1069 HydrophobicContact CE-CB 4.07Å; M1050-L1069 HydrophobicContact CG-CB 4.36Å; M1050-L1069 HydrophobicContact CG-CD1 4.11Å; M1050-L1069 HydrophobicContact CG-CD2 3.69Å; M1050-L1069 HydrophobicContact CG-CG 4.27Å; M1050-L1069 HydrophobicContact SD-CB 4.14Å; M1050-L1069 HydrophobicContact SD-CD2 4.17Å; Y1051-L1069 HydrophobicContact CD1-CD1 3.85Å; Y1051-L1069 HydrophobicContact CE1-CB 4.1Å; Y1051-L1069 HydrophobicContact CE1-CD1 4.13Å; L1054-L1069 HydrophobicContact CD1-CD1 4.38Å; L1054-L1069 HydrophobicContact CD2-CD1 4.33Å; L1054-L1069 HydrophobicContact CG-CD1 4.4Å; Y1065-L1069 WeakPolarHBondContact O-CG 3.31Å; Y1065-L1069 PolarHBondContact O-N 2.79Å; F1066-L1069 PolarHBondContact O-N 3.09Å; E1067-L1069 PolarHBondContact O-N 2.86Å; L1069-L1073 WeakPolarHBondContact O-CB 3.3Å; L1069-L1073 PolarHBondContact O-N 3.33Å |
| 1070 | T | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.1 | -44.7 | -168.2 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | F987 I990 Y1051 F1066 E1067 T1074 | F987-T1070 HydrophobicContact CD1-CG2 3.86Å; F987-T1070 HydrophobicContact CE1-CG2 4.44Å; I990-T1070 HydrophobicContact CG2-CG2 4Å; Y1051-T1070 PolarHBondContact OH-OG1 3.05Å; F1066-T1070 HydrophobicContact CE1-CG2 4.41Å; F1066-T1070 HydrophobicContact CZ-CG2 4.45Å; F1066-T1070 WeakPolarHBondContact O-CB 3.16Å; F1066-T1070 PolarHBondContact O-N 2.56Å; F1066-T1070 PolarHBondContact O-OG1 3.13Å; E1067-T1070 PolarHBondContact O-N 3.22Å; T1070-T1074 WeakPolarHBondContact O-CB 3.4Å; T1070-T1074 PolarHBondContact O-N 3.42Å; T1070-T1074 PolarHBondContact O-OG1 3.45Å |
| 1071 | V | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -70.2 | -43.1 | 179.7 | 174 | 0 | 0 | 0 | 0 | 110.5 | L994 Q995 E1067 L1073 T1074 E1075 | L994-V1071 HydrophobicContact CB-CG2 4.04Å; L994-V1071 HydrophobicContact CD1-CG2 4.4Å; Q995-V1071 HydrophobicContact CG-CG1 3.83Å; Q995-V1071 HydrophobicContact CG-CG2 4.24Å; Q995-V1071 VanDerWaalsContact NE2-CG1 3.34Å; E1067-V1071 HydrophobicContact CG-CG2 3.86Å; E1067-V1071 VanDerWaalsContact O-CB 3.27Å; E1067-V1071 WeakPolarHBondContact O-CB 3.27Å; E1067-V1071 WeakPolarHBondContact O-CG2 3.46Å; E1067-V1071 PolarHBondContact O-N 3.44Å; E1067-V1071 WeakPolarHBondContact OE1-CG2 3.22Å; V1071-L1073 PolarHBondContact O-N 3.25Å; V1071-T1074 WeakPolarHBondContact O-CB 3.45Å; V1071-T1074 PolarHBondContact O-N 2.94Å; V1071-T1074 VanDerWaalsContact O-N 3.14Å; V1071-E1075 HydrophobicContact CG1-CG 4.41Å; V1071-E1075 WeakPolarHBondContact CG1-OE1 3.45Å; V1071-E1075 WeakPolarHBondContact O-CG 3.15Å; V1071-E1075 PolarHBondContact O-N 3.32Å |
| 1072 | T | 89.9 | Confident | 87.3 | Confident | 10 Ų | 10 | 12.9 Ų | 12.9 | 6% | 0.061 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 178.1 | -65.7 | 0 | 0 | 0 | 0 | 111.2 | R643 M899 F903 A1068 T1074 E1075 F1076 | R643-T1072 PolarHBondContact NH1-OG1 3.12Å; M899-T1072 HydrophobicContact CE-CG2 4.07Å; F903-T1072 HydrophobicContact CB-CG2 3.61Å; F903-T1072 HydrophobicContact CD1-CG2 3.93Å; F903-T1072 HydrophobicContact CD2-CG2 3.83Å; F903-T1072 HydrophobicContact CE2-CG2 4.47Å; F903-T1072 HydrophobicContact CG-CG2 3.53Å; A1068-T1072 VanDerWaalsContact O-CB 3.22Å; A1068-T1072 WeakPolarHBondContact O-CB 3.47Å; A1068-T1072 PolarHBondContact O-N 2.57Å; A1068-T1072 PolarHBondContact O-OG1 3.36Å; A1068-T1072 VanDerWaalsContact O-OG1 3.06Å; T1072-T1074 VanDerWaalsContact C-N 3.35Å; T1072-T1074 PolarHBondContact O-N 2.95Å; T1072-E1075 PolarHBondContact O-N 2.72Å; T1072-F1076 WeakPolarHBondContact O-CB 3.49Å; T1072-F1076 PolarHBondContact O-N 3Å |
| 1073 | L | 92.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 171.7 | 174.6 | 65.6 | 0 | 0 | 0 | 111.1 | F903 I941 F987 L1047 M1050 L1069 V1071 E1075 F1076 I1077 | F903-L1073 HydrophobicContact CE1-CB 4.3Å; F903-L1073 HydrophobicContact CE1-CD1 4.14Å; F903-L1073 HydrophobicContact CZ-CB 4.03Å; F903-L1073 HydrophobicContact CZ-CD1 4.24Å; I941-L1073 HydrophobicContact CG2-CD1 4.06Å; F987-L1073 HydrophobicContact CD1-CD2 4.3Å; F987-L1073 HydrophobicContact CD2-CD2 4.36Å; F987-L1073 HydrophobicContact CE1-CD2 3.81Å; F987-L1073 HydrophobicContact CE2-CD2 3.94Å; F987-L1073 HydrophobicContact CZ-CD2 3.64Å; L1047-L1073 HydrophobicContact CD2-CD2 3.36Å; M1050-L1073 HydrophobicContact CE-CD2 4.1Å; L1069-L1073 WeakPolarHBondContact O-CB 3.3Å; L1069-L1073 PolarHBondContact O-N 3.33Å; V1071-L1073 PolarHBondContact O-N 3.25Å; L1073-E1075 VanDerWaalsContact C-N 3.34Å; L1073-E1075 PolarHBondContact O-N 3.44Å; L1073-F1076 CarbonylContact O-C 3.59Å; L1073-F1076 WeakPolarHBondContact O-CB 3.27Å; L1073-F1076 PolarHBondContact O-N 3.34Å; L1073-F1076 VanDerWaalsContact O-N 3.13Å; L1073-I1077 HydrophobicContact CD1-CD1 3.94Å; L1073-I1077 HydrophobicContact CD1-CG1 4.03Å; L1073-I1077 HydrophobicContact CD2-CD1 4.34Å; L1073-I1077 HydrophobicContact CG-CD1 3.72Å; L1073-I1077 HydrophobicContact CG-CG1 4.25Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.49Å; L1073-I1077 PolarHBondContact O-N 2.94Å |
| 1074 | T | 91.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 179.9 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | L957 F987 T1070 V1071 T1072 F1076 I1077 K1078 | L957-T1074 HydrophobicContact CD2-CG2 3.88Å; F987-T1074 HydrophobicContact CB-CG2 4.49Å; F987-T1074 WeakPolarHBondContact CB-OG1 3.38Å; T1070-T1074 WeakPolarHBondContact O-CB 3.4Å; T1070-T1074 PolarHBondContact O-N 3.42Å; T1070-T1074 PolarHBondContact O-OG1 3.45Å; V1071-T1074 WeakPolarHBondContact O-CB 3.45Å; V1071-T1074 PolarHBondContact O-N 2.94Å; V1071-T1074 VanDerWaalsContact O-N 3.14Å; T1072-T1074 VanDerWaalsContact C-N 3.35Å; T1072-T1074 PolarHBondContact O-N 2.95Å; T1074-F1076 VanDerWaalsContact C-N 3.34Å; T1074-I1077 PolarHBondContact O-N 2.99Å; T1074-K1078 HydrophobicContact CG2-CD 4.24Å; T1074-K1078 WeakPolarHBondContact O-CB 3.43Å; T1074-K1078 VanDerWaalsContact O-CG 3.3Å; T1074-K1078 WeakPolarHBondContact O-CG 3.45Å; T1074-K1078 PolarHBondContact O-N 2.91Å |
| 1075 | E | 84.4 | Confident | 80.6 | Confident | 49 Ų | 49 | 20.9 Ų | 20.9 | 23% | 0.229 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 174.7 | -72.7 | 169.9 | 177.8 | 0 | 0 | 111.1 | Q995 V1071 T1072 L1073 K1078 L1079 | Q995-E1075 PolarHBondContact NE2-OE1 3.45Å; V1071-E1075 HydrophobicContact CG1-CG 4.41Å; V1071-E1075 WeakPolarHBondContact CG1-OE1 3.45Å; V1071-E1075 WeakPolarHBondContact O-CG 3.15Å; V1071-E1075 PolarHBondContact O-N 3.32Å; T1072-E1075 PolarHBondContact O-N 2.72Å; L1073-E1075 VanDerWaalsContact C-N 3.34Å; L1073-E1075 PolarHBondContact O-N 3.44Å; E1075-K1078 PolarHBondContact O-N 3.02Å; E1075-L1079 VanDerWaalsContact O-CB 3.28Å; E1075-L1079 WeakPolarHBondContact O-CB 3.49Å; E1075-L1079 WeakPolarHBondContact O-CG 3.23Å; E1075-L1079 PolarHBondContact O-N 3.33Å |
| 1076 | F | 83.4 | Confident | 77.9 | Confident | 23 Ų | 23 | 23.2 Ų | 23.2 | 10% | 0.101 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 174 | -121 | -115 | 0 | 0 | 0 | 112.1 | F903 R942 L945 T1072 L1073 T1074 K1078 L1079 E1080 | F903-F1076 HydrophobicContact CB-CE2 4.2Å; F903-F1076 HydrophobicContact CD1-CB 4.31Å; F903-F1076 HydrophobicContact CD1-CD1 4.07Å; F903-F1076 AromaticContact CD1-CD2 3.93Å; F903-F1076 HydrophobicContact CD1-CD2 3.93Å; F903-F1076 HydrophobicContact CD1-CE1 4.31Å; F903-F1076 HydrophobicContact CD1-CE2 4.18Å; F903-F1076 AromaticContact CD1-CG 3.85Å; F903-F1076 HydrophobicContact CD1-CG 3.85Å; F903-F1076 HydrophobicContact CD1-CZ 4.34Å; F903-F1076 HydrophobicContact CE1-CB 4.37Å; F903-F1076 HydrophobicContact CE1-CD1 4.49Å; F903-F1076 HydrophobicContact CE1-CG 4.32Å; R942-F1076 HydrophobicContact CB-CE1 4.28Å; R942-F1076 HydrophobicContact CG-CE1 4.4Å; L945-F1076 HydrophobicContact CD1-CD1 4.46Å; T1072-F1076 WeakPolarHBondContact O-CB 3.49Å; T1072-F1076 PolarHBondContact O-N 3Å; L1073-F1076 CarbonylContact O-C 3.59Å; L1073-F1076 WeakPolarHBondContact O-CB 3.27Å; L1073-F1076 PolarHBondContact O-N 3.34Å; L1073-F1076 VanDerWaalsContact O-N 3.13Å; T1074-F1076 VanDerWaalsContact C-N 3.34Å; F1076-K1078 PolarHBondContact O-N 3.42Å; F1076-L1079 PolarHBondContact O-N 2.86Å; F1076-E1080 WeakPolarHBondContact O-CB 3.48Å; F1076-E1080 VanDerWaalsContact O-CG 3.31Å; F1076-E1080 WeakPolarHBondContact O-CG 3.21Å; F1076-E1080 PolarHBondContact O-N 3.2Å |
| 1077 | I | 87.3 | Confident | 75.1 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 178.1 | -60.3 | 162.1 | 0 | 0 | 0 | 109.5 | L945 L953 L956 L957 F987 L1073 T1074 L1079 E1080 V1081 | L945-I1077 HydrophobicContact CD1-CG1 3.98Å; L945-I1077 HydrophobicContact CD2-CG1 3.92Å; L953-I1077 HydrophobicContact CD2-CG2 3.72Å; L956-I1077 HydrophobicContact CB-CD1 4.25Å; L956-I1077 HydrophobicContact CD1-CD1 4.25Å; L957-I1077 HydrophobicContact CD1-CB 4.4Å; L957-I1077 HydrophobicContact CD1-CG2 3.65Å; L957-I1077 HydrophobicContact CD2-CB 3.98Å; L957-I1077 HydrophobicContact CD2-CD1 4.21Å; L957-I1077 HydrophobicContact CD2-CG2 3.86Å; L957-I1077 HydrophobicContact CG-CB 4.27Å; L957-I1077 HydrophobicContact CG-CG2 3.58Å; F987-I1077 HydrophobicContact CD2-CD1 3.98Å; F987-I1077 HydrophobicContact CE2-CD1 4.48Å; L1073-I1077 HydrophobicContact CD1-CD1 3.94Å; L1073-I1077 HydrophobicContact CD1-CG1 4.03Å; L1073-I1077 HydrophobicContact CD2-CD1 4.34Å; L1073-I1077 HydrophobicContact CG-CD1 3.72Å; L1073-I1077 HydrophobicContact CG-CG1 4.25Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.49Å; L1073-I1077 PolarHBondContact O-N 2.94Å; T1074-I1077 PolarHBondContact O-N 2.99Å; I1077-L1079 VanDerWaalsContact C-N 3.33Å; I1077-L1079 PolarHBondContact O-N 2.83Å; I1077-E1080 PolarHBondContact O-N 3.37Å; I1077-V1081 HydrophobicContact CG2-CG2 4.31Å; I1077-V1081 WeakPolarHBondContact O-CG2 3.34Å; I1077-V1081 PolarHBondContact O-N 2.87Å |
| 1078 | K | 82.8 | Confident | 72.4 | Confident | 48 Ų | 48 | 30.5 Ų | 30.5 | 21% | 0.209 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -38.5 | 176 | -73.3 | 172.9 | 178.8 | 178.9 | 0 | 112.8 | L957 Q988 T1074 E1075 F1076 V1081 S1082 | L957-K1078 HydrophobicContact CD1-CG 4.17Å; Q988-K1078 VanDerWaalsContact CD-NZ 3.33Å; T1074-K1078 HydrophobicContact CG2-CD 4.24Å; T1074-K1078 WeakPolarHBondContact O-CB 3.43Å; T1074-K1078 VanDerWaalsContact O-CG 3.3Å; T1074-K1078 WeakPolarHBondContact O-CG 3.45Å; T1074-K1078 PolarHBondContact O-N 2.91Å; E1075-K1078 PolarHBondContact O-N 3.02Å; F1076-K1078 PolarHBondContact O-N 3.42Å; K1078-V1081 WeakPolarHBondContact O-CB 3.42Å; K1078-S1082 VanDerWaalsContact O-CB 3.27Å; K1078-S1082 WeakPolarHBondContact O-CB 3.42Å; K1078-S1082 PolarHBondContact O-N 3.25Å; K1078-S1082 PolarHBondContact O-OG 3.19Å |
| 1079 | L | 74.6 | Confident | 69.8 | Low | 102 Ų | 102 | 38.2 Ų | 38.2 | 53% | 0.534 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 174.6 | -77.9 | 172.4 | 0 | 0 | 0 | 110.2 | E1075 F1076 I1077 S1082 S1083 | E1075-L1079 VanDerWaalsContact O-CB 3.28Å; E1075-L1079 WeakPolarHBondContact O-CB 3.49Å; E1075-L1079 WeakPolarHBondContact O-CG 3.23Å; E1075-L1079 PolarHBondContact O-N 3.33Å; F1076-L1079 PolarHBondContact O-N 2.86Å; I1077-L1079 VanDerWaalsContact C-N 3.33Å; I1077-L1079 PolarHBondContact O-N 2.83Å; L1079-S1082 CarbonylContact O-C 3.4Å; L1079-S1082 VanDerWaalsContact O-C 3.28Å; L1079-S1082 WeakPolarHBondContact O-CA 3.33Å; L1079-S1082 PolarHBondContact O-N 3.15Å; L1079-S1083 WeakPolarHBondContact O-CA 3.18Å; L1079-S1083 WeakPolarHBondContact O-CB 3.03Å; L1079-S1083 PolarHBondContact O-N 3.18Å |
| 1080 | E | 71.1 | Confident | 67.1 | Low | 21 Ų | 21 | 40.7 Ų | 40.7 | 10% | 0.098 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 175.7 | -72 | -62.7 | 151.8 | 0 | 0 | 112 | L945 F1076 I1077 S1082 S1083 | L945-E1080 HydrophobicContact CB-CB 4.43Å; L945-E1080 HydrophobicContact CB-CG 4.02Å; L945-E1080 HydrophobicContact CD1-CG 4.1Å; F1076-E1080 WeakPolarHBondContact O-CB 3.48Å; F1076-E1080 VanDerWaalsContact O-CG 3.31Å; F1076-E1080 WeakPolarHBondContact O-CG 3.21Å; F1076-E1080 PolarHBondContact O-N 3.2Å; I1077-E1080 PolarHBondContact O-N 3.37Å; E1080-S1082 PolarHBondContact O-N 3.07Å; E1080-S1083 PolarHBondContact O-N 3.32Å; E1080-S1083 PolarHBondContact O-OG 2.96Å |
| 1081 | V | 70.2 | Confident | 64.6 | Low | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.9 | -40.5 | 169.2 | 177.8 | 0 | 0 | 0 | 0 | 110 | L950 L953 L957 I1077 K1078 F1121 V1137 T1140 | L950-V1081 HydrophobicContact CD2-CG1 4.27Å; L953-V1081 HydrophobicContact CB-CG2 4.1Å; L953-V1081 HydrophobicContact CD1-CB 4.19Å; L953-V1081 HydrophobicContact CD1-CG2 3.44Å; L953-V1081 VanDerWaalsContact CD1-CG2 3.44Å; L953-V1081 HydrophobicContact CD2-CG2 4.41Å; L953-V1081 HydrophobicContact CG-CG2 4.21Å; L957-V1081 HydrophobicContact CD1-CG2 3.95Å; I1077-V1081 HydrophobicContact CG2-CG2 4.31Å; I1077-V1081 WeakPolarHBondContact O-CG2 3.34Å; I1077-V1081 PolarHBondContact O-N 2.87Å; K1078-V1081 WeakPolarHBondContact O-CB 3.42Å; V1081-F1121 HydrophobicContact CG1-CE2 3.67Å; V1081-F1121 HydrophobicContact CG1-CZ 3.94Å; V1081-F1121 WeakPolarHBondContact O-CD2 3.24Å; V1081-F1121 WeakPolarHBondContact O-CE2 3.49Å; V1081-V1137 HydrophobicContact CB-CG2 4.38Å; V1081-V1137 HydrophobicContact CG1-CG2 3.84Å; V1081-T1140 HydrophobicContact CG1-CG2 4.13Å |
| 1082 | S | 63.8 | Low | 62.2 | Low | 11 Ų | 11 | 51.3 Ų | 51.3 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -89.1 | -10.7 | -177.8 | -52.1 | 0 | 0 | 0 | 0 | 114.5 | K1078 L1079 E1080 F1084 | K1078-S1082 VanDerWaalsContact O-CB 3.27Å; K1078-S1082 WeakPolarHBondContact O-CB 3.42Å; K1078-S1082 PolarHBondContact O-N 3.25Å; K1078-S1082 PolarHBondContact O-OG 3.19Å; L1079-S1082 CarbonylContact O-C 3.4Å; L1079-S1082 VanDerWaalsContact O-C 3.28Å; L1079-S1082 WeakPolarHBondContact O-CA 3.33Å; L1079-S1082 PolarHBondContact O-N 3.15Å; E1080-S1082 PolarHBondContact O-N 3.07Å; S1082-F1084 WeakPolarHBondContact O-CD2 3.13Å |
| 1083 | S | 55.2 | Low | 59.8 | Low | 25 Ų | 25 | 55.3 Ų | 55.3 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | trans | -71.5 | 133.2 | -152.3 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | L1079 E1080 | L1079-S1083 WeakPolarHBondContact O-CA 3.18Å; L1079-S1083 WeakPolarHBondContact O-CB 3.03Å; L1079-S1083 PolarHBondContact O-N 3.18Å; E1080-S1083 PolarHBondContact O-N 3.32Å; E1080-S1083 PolarHBondContact O-OG 2.96Å | ||
| 1084 | F | 48 | Very low | 57.5 | Low | 84 Ų | 84 | 56.7 Ų | 56.7 | 37% | 0.368 | 30% | 0.296 | S | S | . | . | cis | 95.7 | -15.5 | 24.6 | -86.4 | -84.3 | 0 | 0 | 0 | 118.1 | L70 S1082 S1086 R1126 K1133 | L70-F1084 HydrophobicContact CD1-CE1 4.17Å; S1082-F1084 WeakPolarHBondContact O-CD2 3.13Å; F1084-S1086 VanDerWaalsContact C-N 3.26Å; F1084-S1086 PolarHBondContact O-N 2.57Å; F1084-R1126 VanDerWaalsContact CE1-O 3.25Å; F1084-R1126 WeakPolarHBondContact CE1-O 3.43Å; F1084-R1126 HydrophobicContact CE2-CB 4.39Å; F1084-R1126 WeakPolarHBondContact CE2-O 3.27Å; F1084-R1126 WeakPolarHBondContact CZ-O 3.34Å; F1084-K1133 HydrophobicContact CE2-CD 4.03Å; F1084-K1133 VanDerWaalsContact CE2-CE 3.49Å | ||
| 1085 | L | 39.8 | Very low | 55.2 | Low | 60 Ų | 60 | 64 Ų | 64 | 31% | 0.314 | 33% | 0.328 | S | S | . | . | trans | -75.6 | 86 | 167.3 | -72.7 | 174.2 | 0 | 0 | 0 | 109.6 | V1087 Y1116 | L1085-V1087 PolarHBondContact O-N 2.71Å; L1085-Y1116 HydrophobicContact CD1-CD1 3.59Å; L1085-Y1116 HydrophobicContact CD1-CE1 4.02Å | ||
| 1086 | S | 37.2 | Very low | 53.1 | Low | 51 Ų | 51 | 66.7 Ų | 66.7 | 36% | 0.357 | 34% | 0.344 | S | S | . | . | trans | -58.9 | 126.2 | 156.3 | 80 | 0 | 0 | 0 | 0 | 106.6 | F1084 S1088 Y1089 | F1084-S1086 VanDerWaalsContact C-N 3.26Å; F1084-S1086 PolarHBondContact O-N 2.57Å; S1086-S1088 PolarHBondContact O-N 3.12Å; S1086-Y1089 PolarHBondContact O-N 3Å; S1086-Y1089 PolarHBondContact OG-N 3.02Å | ||
| 1087 | V | 38.1 | Very low | 51.3 | Low | 67 Ų | 67 | 70.6 Ų | 70.6 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -49.4 | -27.1 | 171.8 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | L1085 L1091 L1113 T1117 | L1085-V1087 PolarHBondContact O-N 2.71Å; V1087-L1091 HydrophobicContact CG1-CD1 3.66Å; V1087-L1091 HydrophobicContact CG1-CG 3.95Å; V1087-L1091 WeakPolarHBondContact O-CB 3.38Å; V1087-L1091 WeakPolarHBondContact O-CG 3.28Å; V1087-L1091 PolarHBondContact O-N 3.4Å; V1087-L1113 HydrophobicContact CG1-CD2 4.47Å; V1087-T1117 HydrophobicContact CG2-CG2 3.94Å |
| 1088 | S | 37.7 | Very low | 49.1 | Very low | 88 Ų | 88 | 74 Ų | 74 | 62% | 0.615 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.5 | -40.1 | 174.8 | -74.6 | 0 | 0 | 0 | 0 | 115.5 | S1086 L1091 F1092 | S1086-S1088 PolarHBondContact O-N 3.12Å; S1088-L1091 PolarHBondContact O-N 2.85Å; S1088-F1092 WeakPolarHBondContact O-CB 3.27Å; S1088-F1092 PolarHBondContact O-N 3.44Å |
| 1089 | Y | 36.8 | Very low | 47.5 | Very low | 162 Ų | 162 | 75.7 Ų | 75.7 | 64% | 0.635 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -75.4 | -39.4 | -177.8 | -141.7 | -92.8 | 0 | 0 | 0 | 111.3 | S1086 F1092 L1093 | S1086-Y1089 PolarHBondContact O-N 3Å; S1086-Y1089 PolarHBondContact OG-N 3.02Å; Y1089-F1092 PolarHBondContact O-N 3.29Å; Y1089-L1093 HydrophobicContact CD1-CD1 3.77Å; Y1089-L1093 HydrophobicContact CE1-CD1 3.84Å; Y1089-L1093 PolarHBondContact O-N 3.16Å |
| 1090 | C | 38.8 | Very low | 46.1 | Very low | 53 Ų | 53 | 79.3 Ų | 79.3 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 169.2 | -78.8 | 0 | 0 | 0 | 0 | 111.1 | F1092 S1094 | C1090-F1092 VanDerWaalsContact C-N 3.34Å; C1090-F1092 PolarHBondContact O-N 3Å; C1090-S1094 WeakPolarHBondContact O-CA 3.13Å; C1090-S1094 WeakPolarHBondContact O-CB 3.45Å; C1090-S1094 PolarHBondContact O-N 2.77Å; C1090-S1094 PolarHBondContact O-OG 3.19Å |
| 1091 | L | 42.1 | Very low | 44.6 | Very low | 84 Ų | 84 | 89 Ų | 89 | 44% | 0.44 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.9 | -80.7 | 171.4 | 0 | 0 | 0 | 111.9 | V1087 S1088 F1095 | V1087-L1091 HydrophobicContact CG1-CD1 3.66Å; V1087-L1091 HydrophobicContact CG1-CG 3.95Å; V1087-L1091 WeakPolarHBondContact O-CB 3.38Å; V1087-L1091 WeakPolarHBondContact O-CG 3.28Å; V1087-L1091 PolarHBondContact O-N 3.4Å; S1088-L1091 PolarHBondContact O-N 2.85Å; L1091-F1095 VanDerWaalsContact O-CB 3.29Å; L1091-F1095 WeakPolarHBondContact O-CB 3.49Å; L1091-F1095 PolarHBondContact O-N 3.03Å |
| 1092 | F | 40.6 | Very low | 43 | Very low | 139 Ų | 139 | 95.9 Ų | 95.9 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.5 | -47.3 | -179.2 | -170.2 | -99.4 | 0 | 0 | 0 | 112.5 | S1088 Y1089 C1090 S1094 F1095 L1096 | S1088-F1092 WeakPolarHBondContact O-CB 3.27Å; S1088-F1092 PolarHBondContact O-N 3.44Å; Y1089-F1092 PolarHBondContact O-N 3.29Å; C1090-F1092 VanDerWaalsContact C-N 3.34Å; C1090-F1092 PolarHBondContact O-N 3Å; F1092-S1094 VanDerWaalsContact C-N 3.34Å; F1092-F1095 PolarHBondContact O-N 3.33Å; F1092-L1096 HydrophobicContact CD1-CD1 4.1Å; F1092-L1096 HydrophobicContact CE1-CD1 3.59Å; F1092-L1096 HydrophobicContact CZ-CD1 4.07Å; F1092-L1096 PolarHBondContact O-N 2.96Å |
| 1093 | L | 39.3 | Very low | 42 | Very low | 94 Ų | 94 | 103.3 Ų | 103.3 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 172.7 | -91.3 | 155.4 | 0 | 0 | 0 | 111.5 | Y1089 F1095 L1096 V1097 | Y1089-L1093 HydrophobicContact CD1-CD1 3.77Å; Y1089-L1093 HydrophobicContact CE1-CD1 3.84Å; Y1089-L1093 PolarHBondContact O-N 3.16Å; L1093-F1095 VanDerWaalsContact C-N 3.32Å; L1093-F1095 PolarHBondContact O-N 2.76Å; L1093-L1096 PolarHBondContact O-N 2.91Å; L1093-V1097 WeakPolarHBondContact O-CB 3.34Å; L1093-V1097 VanDerWaalsContact O-CG2 3.23Å; L1093-V1097 WeakPolarHBondContact O-CG2 3.36Å; L1093-V1097 PolarHBondContact O-N 3.44Å |
| 1094 | S | 44.1 | Very low | 41.4 | Very low | 29 Ų | 29 | 112.6 Ų | 112.6 | 20% | 0.203 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -60.4 | -44.7 | 173.1 | -59.5 | 0 | 0 | 0 | 0 | 109.8 | C1090 F1092 L1096 V1097 I1098 | C1090-S1094 WeakPolarHBondContact O-CA 3.13Å; C1090-S1094 WeakPolarHBondContact O-CB 3.45Å; C1090-S1094 PolarHBondContact O-N 2.77Å; C1090-S1094 PolarHBondContact O-OG 3.19Å; F1092-S1094 VanDerWaalsContact C-N 3.34Å; S1094-L1096 PolarHBondContact O-N 3.09Å; S1094-V1097 CarbonylContact O-C 3.53Å; S1094-V1097 PolarHBondContact O-N 3.29Å; S1094-I1098 WeakPolarHBondContact O-CA 3.37Å; S1094-I1098 WeakPolarHBondContact O-CB 3.29Å; S1094-I1098 WeakPolarHBondContact O-CD1 3.42Å; S1094-I1098 WeakPolarHBondContact O-CG1 3.18Å; S1094-I1098 PolarHBondContact O-N 3.09Å |
| 1095 | F | 43.7 | Very low | 41.3 | Very low | 153 Ų | 153 | 115.3 Ų | 115.3 | 67% | 0.671 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.7 | -43.5 | 179 | -129.6 | -91.1 | 0 | 0 | 0 | 112.2 | L1091 F1092 L1093 V1097 I1098 A1099 | L1091-F1095 VanDerWaalsContact O-CB 3.29Å; L1091-F1095 WeakPolarHBondContact O-CB 3.49Å; L1091-F1095 PolarHBondContact O-N 3.03Å; F1092-F1095 PolarHBondContact O-N 3.33Å; L1093-F1095 VanDerWaalsContact C-N 3.32Å; L1093-F1095 PolarHBondContact O-N 2.76Å; F1095-V1097 VanDerWaalsContact C-N 3.33Å; F1095-V1097 PolarHBondContact O-N 2.95Å; F1095-I1098 PolarHBondContact O-N 2.73Å; F1095-A1099 PolarHBondContact O-N 3.08Å |
| 1096 | L | 40 | Very low | 41.2 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 56% | 0.56 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.2 | -38.3 | 177.2 | -111.2 | 149.7 | 0 | 0 | 0 | 112.2 | F1092 L1093 S1094 | F1092-L1096 HydrophobicContact CD1-CD1 4.1Å; F1092-L1096 HydrophobicContact CE1-CD1 3.59Å; F1092-L1096 HydrophobicContact CZ-CD1 4.07Å; F1092-L1096 PolarHBondContact O-N 2.96Å; L1093-L1096 PolarHBondContact O-N 2.91Å; S1094-L1096 PolarHBondContact O-N 3.09Å |
| 1097 | V | 45.8 | Very low | 41.3 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 63% | 0.63 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.6 | -34.1 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | L1093 S1094 F1095 A1099 F1100 | L1093-V1097 WeakPolarHBondContact O-CB 3.34Å; L1093-V1097 VanDerWaalsContact O-CG2 3.23Å; L1093-V1097 WeakPolarHBondContact O-CG2 3.36Å; L1093-V1097 PolarHBondContact O-N 3.44Å; S1094-V1097 CarbonylContact O-C 3.53Å; S1094-V1097 PolarHBondContact O-N 3.29Å; F1095-V1097 VanDerWaalsContact C-N 3.33Å; F1095-V1097 PolarHBondContact O-N 2.95Å; V1097-A1099 VanDerWaalsContact C-N 3.31Å; V1097-A1099 PolarHBondContact O-N 3.24Å; V1097-F1100 PolarHBondContact O-N 3.26Å |
| 1098 | I | 42.2 | Very low | 41.4 | Very low | 73 Ų | 73 | 133.7 Ų | 133.7 | 37% | 0.374 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.9 | -31.2 | 179.1 | -76.3 | 162.3 | 0 | 0 | 0 | 111.1 | S1094 F1095 F1100 | S1094-I1098 WeakPolarHBondContact O-CA 3.37Å; S1094-I1098 WeakPolarHBondContact O-CB 3.29Å; S1094-I1098 WeakPolarHBondContact O-CD1 3.42Å; S1094-I1098 WeakPolarHBondContact O-CG1 3.18Å; S1094-I1098 PolarHBondContact O-N 3.09Å; F1095-I1098 PolarHBondContact O-N 2.73Å; I1098-F1100 PolarHBondContact O-N 3.23Å; I1098-F1100 VanDerWaalsContact O-N 3.09Å |
| 1099 | A | 48 | Very low | 41.3 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 68% | 0.678 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -25.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1095 V1097 | F1095-A1099 PolarHBondContact O-N 3.08Å; V1097-A1099 VanDerWaalsContact C-N 3.31Å; V1097-A1099 PolarHBondContact O-N 3.24Å |
| 1100 | F | 44.8 | Very low | 41.2 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -28.1 | -173.9 | -97.7 | -81.9 | 0 | 0 | 0 | 116.7 | V1097 I1098 | V1097-F1100 PolarHBondContact O-N 3.26Å; I1098-F1100 PolarHBondContact O-N 3.23Å; I1098-F1100 VanDerWaalsContact O-N 3.09Å |
| 1101 | R | 40.1 | Very low | 41 | Very low | 225 Ų | 225 | 134 Ų | 134 | 85% | 0.849 | 62% | 0.617 | S | S | * | * | trans | -151.2 | 91.9 | -179.9 | -68.4 | -168.2 | -174.6 | -165.6 | 1.1 | 114 | ||||
| 1102 | L | 36.9 | Very low | 40.7 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 75% | 0.749 | 61% | 0.61 | S | S | * | * | trans | -76.7 | 118.4 | 174.3 | -77.4 | 154.6 | 0 | 0 | 0 | 111.7 | ||||
| 1103 | L | 43.5 | Very low | 40.5 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 88% | 0.88 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 152.8 | -27.6 | 135.6 | -83.7 | 155.9 | 0 | 0 | 0 | 113.3 | ||
| 1104 | Y | 41.3 | Very low | 40.3 | Very low | 220 Ų | 220 | 129.6 Ų | 129.6 | 86% | 0.863 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -16 | -172.4 | -144.1 | -99 | 0 | 0 | 0 | 115.2 | ||
| 1105 | Y | 46.5 | Very low | 39.7 | Very low | 140 Ų | 140 | 132 Ų | 132 | 55% | 0.549 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.4 | 0.9 | -167.3 | -91.1 | -93.1 | 0 | 0 | 0 | 116.9 | R1107 F1108 M1109 | Y1105-R1107 VanDerWaalsContact C-N 3.32Å; Y1105-R1107 PolarHBondContact O-N 2.77Å; Y1105-F1108 HydrophobicContact CD1-CB 3.58Å; Y1105-F1108 AromaticContact CD1-CD1 3.27Å; Y1105-F1108 HydrophobicContact CD1-CD1 3.27Å; Y1105-F1108 HydrophobicContact CD1-CE1 4.01Å; Y1105-F1108 AromaticContact CD1-CG 3.58Å; Y1105-F1108 HydrophobicContact CD1-CG 3.58Å; Y1105-F1108 HydrophobicContact CE1-CB 4.01Å; Y1105-F1108 AromaticContact CE1-CD1 3.26Å; Y1105-F1108 HydrophobicContact CE1-CD1 3.26Å; Y1105-F1108 HydrophobicContact CE1-CD2 4.18Å; Y1105-F1108 AromaticContact CE1-CE1 3.57Å; Y1105-F1108 HydrophobicContact CE1-CE1 3.57Å; Y1105-F1108 HydrophobicContact CE1-CE2 4.47Å; Y1105-F1108 AromaticContact CE1-CG 3.56Å; Y1105-F1108 HydrophobicContact CE1-CG 3.56Å; Y1105-F1108 HydrophobicContact CE1-CZ 4.18Å; Y1105-F1108 HydrophobicContact CG-CB 4.38Å; Y1105-F1108 PolarHBondContact O-N 3.37Å; Y1105-M1109 WeakPolarHBondContact O-CB 3.27Å; Y1105-M1109 WeakPolarHBondContact O-CG 3.44Å; Y1105-M1109 PolarHBondContact O-N 3Å |
| 1106 | R | 37.3 | Very low | 39.4 | Very low | 228 Ų | 228 | 128.8 Ų | 128.8 | 86% | 0.86 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62 | -36.3 | -178.6 | -115.8 | -177.4 | 177.5 | -177.3 | -0.3 | 113.7 | R1110 | R1106-R1110 PolarHBondContact O-N 3.24Å |
| 1107 | R | 40.1 | Very low | 39.2 | Very low | 230 Ų | 230 | 127 Ų | 127 | 87% | 0.868 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -77.4 | -38.6 | 178.1 | -137.3 | 176.8 | 179.6 | 175.1 | -1.2 | 111.6 | Y1105 R1110 S1111 | Y1105-R1107 VanDerWaalsContact C-N 3.32Å; Y1105-R1107 PolarHBondContact O-N 2.77Å; R1107-R1110 PolarHBondContact O-N 2.96Å; R1107-S1111 PolarHBondContact O-N 3.37Å |
| 1108 | F | 39.5 | Very low | 39.2 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 47% | 0.465 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.9 | -42.7 | 173.3 | -172.9 | -92.5 | 0 | 0 | 0 | 111.6 | Y1105 R1110 S1111 L1112 | Y1105-F1108 HydrophobicContact CD1-CB 3.58Å; Y1105-F1108 AromaticContact CD1-CD1 3.27Å; Y1105-F1108 HydrophobicContact CD1-CD1 3.27Å; Y1105-F1108 HydrophobicContact CD1-CE1 4.01Å; Y1105-F1108 AromaticContact CD1-CG 3.58Å; Y1105-F1108 HydrophobicContact CD1-CG 3.58Å; Y1105-F1108 HydrophobicContact CE1-CB 4.01Å; Y1105-F1108 AromaticContact CE1-CD1 3.26Å; Y1105-F1108 HydrophobicContact CE1-CD1 3.26Å; Y1105-F1108 HydrophobicContact CE1-CD2 4.18Å; Y1105-F1108 AromaticContact CE1-CE1 3.57Å; Y1105-F1108 HydrophobicContact CE1-CE1 3.57Å; Y1105-F1108 HydrophobicContact CE1-CE2 4.47Å; Y1105-F1108 AromaticContact CE1-CG 3.56Å; Y1105-F1108 HydrophobicContact CE1-CG 3.56Å; Y1105-F1108 HydrophobicContact CE1-CZ 4.18Å; Y1105-F1108 HydrophobicContact CG-CB 4.38Å; Y1105-F1108 PolarHBondContact O-N 3.37Å; F1108-R1110 PolarHBondContact O-N 3.4Å; F1108-S1111 CarbonylContact O-C 3.53Å; F1108-S1111 WeakPolarHBondContact O-CB 3.34Å; F1108-S1111 PolarHBondContact O-N 2.93Å; F1108-L1112 HydrophobicContact CD1-CD1 3.94Å; F1108-L1112 HydrophobicContact CE1-CD1 3.31Å; F1108-L1112 HydrophobicContact CE1-CD2 4.1Å; F1108-L1112 HydrophobicContact CE1-CG 4.2Å; F1108-L1112 HydrophobicContact CE2-CD1 4.43Å; F1108-L1112 HydrophobicContact CZ-CD1 3.6Å; F1108-L1112 WeakPolarHBondContact O-CB 3.44Å; F1108-L1112 PolarHBondContact O-N 3.45Å |
| 1109 | M | 35.6 | Very low | 39.7 | Very low | 39 Ų | 39 | 128.5 Ų | 128.5 | 19% | 0.192 | 60% | 0.604 | C | S | . | * | H | α-helix | trans | -64.3 | -35.9 | 178.1 | -78.9 | -71.2 | -79.7 | 0 | 0 | 113.2 | Y1105 L1112 L1113 | Y1105-M1109 WeakPolarHBondContact O-CB 3.27Å; Y1105-M1109 WeakPolarHBondContact O-CG 3.44Å; Y1105-M1109 PolarHBondContact O-N 3Å; M1109-L1112 PolarHBondContact O-N 3.26Å; M1109-L1113 HydrophobicContact CE-CD1 4.34Å; M1109-L1113 WeakPolarHBondContact O-CB 3.46Å; M1109-L1113 WeakPolarHBondContact O-CD1 3.39Å; M1109-L1113 WeakPolarHBondContact O-CG 3.41Å; M1109-L1113 PolarHBondContact O-N 3.35Å |
| 1110 | R | 34.3 | Very low | 40.8 | Very low | 208 Ų | 208 | 126 Ų | 126 | 79% | 0.785 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.6 | -39.6 | 172.9 | -85.8 | -173 | 177.3 | 176.8 | -1.1 | 112 | R1106 R1107 F1108 S1114 | R1106-R1110 PolarHBondContact O-N 3.24Å; R1107-R1110 PolarHBondContact O-N 2.96Å; F1108-R1110 PolarHBondContact O-N 3.4Å; R1110-S1114 WeakPolarHBondContact O-CB 3.46Å; R1110-S1114 PolarHBondContact O-N 3.43Å |
| 1111 | S | 36 | Very low | 42.5 | Very low | 64 Ų | 64 | 117.6 Ų | 117.6 | 45% | 0.448 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 172.8 | -170.4 | 0 | 0 | 0 | 0 | 111.8 | R1107 F1108 N1115 | R1107-S1111 PolarHBondContact O-N 3.37Å; F1108-S1111 CarbonylContact O-C 3.53Å; F1108-S1111 WeakPolarHBondContact O-CB 3.34Å; F1108-S1111 PolarHBondContact O-N 2.93Å; S1111-N1115 WeakPolarHBondContact O-CB 3.45Å; S1111-N1115 PolarHBondContact O-N 3.16Å; S1111-N1115 PolarHBondContact O-ND2 2.74Å |
| 1112 | L | 36.2 | Very low | 44.5 | Very low | 59 Ų | 59 | 107.4 Ų | 107.4 | 31% | 0.309 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -50.7 | 177.5 | -135.5 | 77.8 | 0 | 0 | 0 | 110.7 | F1108 M1109 S1114 N1115 Y1116 | F1108-L1112 HydrophobicContact CD1-CD1 3.94Å; F1108-L1112 HydrophobicContact CE1-CD1 3.31Å; F1108-L1112 HydrophobicContact CE1-CD2 4.1Å; F1108-L1112 HydrophobicContact CE1-CG 4.2Å; F1108-L1112 HydrophobicContact CE2-CD1 4.43Å; F1108-L1112 HydrophobicContact CZ-CD1 3.6Å; F1108-L1112 WeakPolarHBondContact O-CB 3.44Å; F1108-L1112 PolarHBondContact O-N 3.45Å; M1109-L1112 PolarHBondContact O-N 3.26Å; L1112-S1114 VanDerWaalsContact C-N 3.34Å; L1112-S1114 PolarHBondContact O-N 2.89Å; L1112-N1115 PolarHBondContact O-N 2.97Å; L1112-Y1116 HydrophobicContact CB-CD2 4.44Å; L1112-Y1116 HydrophobicContact CD1-CD2 4.25Å; L1112-Y1116 HydrophobicContact CD1-CE2 3.87Å; L1112-Y1116 HydrophobicContact CD2-CD2 4.46Å; L1112-Y1116 HydrophobicContact CD2-CE2 4.38Å; L1112-Y1116 HydrophobicContact CG-CD2 3.66Å; L1112-Y1116 HydrophobicContact CG-CE2 3.7Å; L1112-Y1116 VanDerWaalsContact O-CB 3.26Å; L1112-Y1116 WeakPolarHBondContact O-CB 3.45Å; L1112-Y1116 VanDerWaalsContact O-CD2 3.31Å; L1112-Y1116 WeakPolarHBondContact O-CD2 3.46Å; L1112-Y1116 PolarHBondContact O-N 2.97Å |
| 1113 | L | 35.2 | Very low | 46.6 | Very low | 77 Ų | 77 | 104.8 Ų | 104.8 | 40% | 0.403 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 179.6 | -78.2 | 158.5 | 0 | 0 | 0 | 112.2 | V1087 M1109 T1117 | V1087-L1113 HydrophobicContact CG1-CD2 4.47Å; M1109-L1113 HydrophobicContact CE-CD1 4.34Å; M1109-L1113 WeakPolarHBondContact O-CB 3.46Å; M1109-L1113 WeakPolarHBondContact O-CD1 3.39Å; M1109-L1113 WeakPolarHBondContact O-CG 3.41Å; M1109-L1113 PolarHBondContact O-N 3.35Å; L1113-T1117 PolarHBondContact O-OG1 2.9Å; L1113-T1117 VanDerWaalsContact O-OG1 3.05Å |
| 1114 | S | 34.6 | Very low | 48.5 | Very low | 87 Ų | 87 | 98 Ų | 98 | 61% | 0.608 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -70.2 | -31.8 | 174.8 | 179.6 | 0 | 0 | 0 | 0 | 112.8 | R1110 L1112 | R1110-S1114 WeakPolarHBondContact O-CB 3.46Å; R1110-S1114 PolarHBondContact O-N 3.43Å; L1112-S1114 VanDerWaalsContact C-N 3.34Å; L1112-S1114 PolarHBondContact O-N 2.89Å |
| 1115 | N | 32.2 | Very low | 50.7 | Low | 81 Ų | 81 | 87.5 Ų | 87.5 | 43% | 0.433 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -94.4 | -19.9 | -175.7 | -67.1 | -10.1 | 0 | 0 | 0 | 113.4 | S1111 L1112 | S1111-N1115 WeakPolarHBondContact O-CB 3.45Å; S1111-N1115 PolarHBondContact O-N 3.16Å; S1111-N1115 PolarHBondContact O-ND2 2.74Å; L1112-N1115 PolarHBondContact O-N 2.97Å |
| 1116 | Y | 37.6 | Very low | 52.3 | Low | 85 Ų | 85 | 82.7 Ų | 82.7 | 33% | 0.333 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -95.1 | 5.2 | -175.4 | -90.2 | -85.7 | 0 | 0 | 0 | 115.6 | L1085 L1112 | L1085-Y1116 HydrophobicContact CD1-CD1 3.59Å; L1085-Y1116 HydrophobicContact CD1-CE1 4.02Å; L1112-Y1116 HydrophobicContact CB-CD2 4.44Å; L1112-Y1116 HydrophobicContact CD1-CD2 4.25Å; L1112-Y1116 HydrophobicContact CD1-CE2 3.87Å; L1112-Y1116 HydrophobicContact CD2-CD2 4.46Å; L1112-Y1116 HydrophobicContact CD2-CE2 4.38Å; L1112-Y1116 HydrophobicContact CG-CD2 3.66Å; L1112-Y1116 HydrophobicContact CG-CE2 3.7Å; L1112-Y1116 VanDerWaalsContact O-CB 3.26Å; L1112-Y1116 WeakPolarHBondContact O-CB 3.45Å; L1112-Y1116 VanDerWaalsContact O-CD2 3.31Å; L1112-Y1116 WeakPolarHBondContact O-CD2 3.46Å; L1112-Y1116 PolarHBondContact O-N 2.97Å |
| 1117 | T | 36.6 | Very low | 54.5 | Low | 68 Ų | 68 | 73.2 Ų | 73.2 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | trans | -119.5 | 26.3 | -171.1 | 53.3 | 0 | 0 | 0 | 0 | 116 | V1087 L1113 L1119 | V1087-T1117 HydrophobicContact CG2-CG2 3.94Å; L1113-T1117 PolarHBondContact O-OG1 2.9Å; L1113-T1117 VanDerWaalsContact O-OG1 3.05Å; T1117-L1119 VanDerWaalsContact C-N 3.28Å; T1117-L1119 PolarHBondContact O-N 3.41Å; T1117-L1119 VanDerWaalsContact O-N 3.08Å | ||
| 1118 | T | 45.2 | Very low | 56.8 | Low | 120 Ų | 120 | 62.3 Ų | 62.3 | 74% | 0.736 | 33% | 0.325 | S | S | * | . | trans | -81.3 | 85.6 | 161.1 | -34.3 | 0 | 0 | 0 | 0 | 108.2 | R1120 | T1118-R1120 PolarHBondContact O-N 2.85Å; T1118-R1120 VanDerWaalsContact O-N 3.16Å | ||
| 1119 | L | 52.6 | Low | 59.2 | Low | 89 Ų | 89 | 57.3 Ų | 57.3 | 47% | 0.466 | 30% | 0.303 | S | S | . | . | trans | -60.5 | 115.3 | 171.4 | -68.7 | 168.6 | 0 | 0 | 0 | 108.3 | T1117 | T1117-L1119 VanDerWaalsContact C-N 3.28Å; T1117-L1119 PolarHBondContact O-N 3.41Å; T1117-L1119 VanDerWaalsContact O-N 3.08Å | ||
| 1120 | R | 70.7 | Confident | 61.7 | Low | 29 Ų | 29 | 57.2 Ų | 57.2 | 11% | 0.109 | 31% | 0.306 | C | S | . | . | trans | -79.6 | -32.7 | -173.6 | -59.3 | -176.1 | -166.6 | -152.9 | -4 | 113.4 | L945 G946 M948 L950 L953 T1118 | L945-R1120 PolarHBondContact O-NH1 3.35Å; L945-R1120 PolarHBondContact O-NH2 3.25Å; G946-R1120 VanDerWaalsContact C-NH2 3.31Å; G946-R1120 PolarHBondContact O-NH2 3.07Å; M948-R1120 PolarHBondContact O-NH1 3.07Å; M948-R1120 PolarHBondContact O-NH2 2.81Å; L950-R1120 HydrophobicContact CD2-CB 4.28Å; L953-R1120 VanDerWaalsContact CG-NH1 3.35Å; T1118-R1120 PolarHBondContact O-N 2.85Å; T1118-R1120 VanDerWaalsContact O-N 3.16Å | ||
| 1121 | F | 81.3 | Confident | 64.4 | Low | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -120.2 | 152.5 | 174 | -69.8 | -38.9 | 0 | 0 | 0 | 112.6 | V1081 I1125 A1136 T1140 T1204 | V1081-F1121 HydrophobicContact CG1-CE2 3.67Å; V1081-F1121 HydrophobicContact CG1-CZ 3.94Å; V1081-F1121 WeakPolarHBondContact O-CD2 3.24Å; V1081-F1121 WeakPolarHBondContact O-CE2 3.49Å; F1121-I1125 HydrophobicContact CB-CB 4.29Å; F1121-I1125 HydrophobicContact CB-CD1 4.13Å; F1121-I1125 HydrophobicContact CB-CG2 4.19Å; F1121-I1125 HydrophobicContact CD1-CD1 4.45Å; F1121-I1125 HydrophobicContact CD2-CG2 4.16Å; F1121-I1125 HydrophobicContact CG-CD1 4.26Å; F1121-I1125 HydrophobicContact CG-CG2 4.41Å; F1121-A1136 HydrophobicContact CD2-CB 4.07Å; F1121-A1136 HydrophobicContact CE1-CB 4.49Å; F1121-A1136 HydrophobicContact CE2-CB 3.72Å; F1121-A1136 HydrophobicContact CZ-CB 3.97Å; F1121-A1136 VanDerWaalsContact CZ-O 3.3Å; F1121-A1136 WeakPolarHBondContact CZ-O 3.44Å; F1121-T1140 HydrophobicContact CE1-CG2 4.47Å; F1121-T1140 HydrophobicContact CZ-CG2 3.87Å; F1121-T1204 VanDerWaalsContact CA-O 3.27Å; F1121-T1204 WeakPolarHBondContact CA-O 3.32Å; F1121-T1204 HydrophobicContact CD1-CG2 4.35Å; F1121-T1204 HydrophobicContact CE1-CG2 4.19Å |
| 1122 | S | 81.8 | Confident | 67.1 | Low | 11 Ų | 11 | 44.4 Ų | 44.4 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | trans | -55.3 | 153.4 | 178 | 61.9 | 0 | 0 | 0 | 0 | 112.9 | W1124 I1125 L1203 T1204 | S1122-W1124 PolarHBondContact O-N 2.74Å; S1122-W1124 VanDerWaalsContact O-N 3.15Å; S1122-W1124 PolarHBondContact OG-NE1 3.47Å; S1122-I1125 PolarHBondContact O-N 2.83Å; S1122-L1203 WeakPolarHBondContact CB-O 3.43Å; S1122-L1203 PolarHBondContact OG-O 3.01Å; S1122-T1204 PolarHBondContact N-O 3.37Å | ||
| 1123 | P | 79.9 | Confident | 69.6 | Low | 88 Ų | 88 | 43.9 Ų | 43.9 | 57% | 0.571 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -55.9 | -31.1 | -177.7 | -24.6 | 31.7 | 0 | 0 | 0 | 115.7 | R1126 S1127 | P1123-R1126 PolarHBondContact O-N 3.24Å; P1123-S1127 PolarHBondContact O-N 2.82Å; P1123-S1127 PolarHBondContact O-OG 3.15Å |
| 1124 | W | 84.3 | Confident | 72.3 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 10% | 0.095 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.7 | -37.4 | -175.9 | 78.5 | -94.6 | 0 | 0 | 0 | 112.5 | S1122 R1126 S1127 S1128 V1132 L1203 L1640 Y1644 F1648 | S1122-W1124 PolarHBondContact O-N 2.74Å; S1122-W1124 VanDerWaalsContact O-N 3.15Å; S1122-W1124 PolarHBondContact OG-NE1 3.47Å; W1124-R1126 PolarHBondContact O-N 2.93Å; W1124-S1127 PolarHBondContact O-N 3.1Å; W1124-S1127 PolarHBondContact O-OG 2.72Å; W1124-S1127 VanDerWaalsContact O-OG 3.12Å; W1124-S1128 WeakPolarHBondContact O-CB 3.34Å; W1124-S1128 PolarHBondContact O-N 3.09Å; W1124-S1128 PolarHBondContact O-OG 3.07Å; W1124-V1132 HydrophobicContact CE3-CG1 4Å; W1124-V1132 HydrophobicContact CH2-CG1 3.87Å; W1124-V1132 HydrophobicContact CZ3-CB 4.49Å; W1124-V1132 HydrophobicContact CZ3-CG1 3.41Å; W1124-V1132 VanDerWaalsContact CZ3-CG1 3.41Å; W1124-V1132 HydrophobicContact CZ3-CG2 4.18Å; W1124-L1203 HydrophobicContact CZ2-CB 4.12Å; W1124-L1203 HydrophobicContact CZ2-CD2 4.41Å; W1124-L1203 PolarHBondContact NE1-O 3.05Å; W1124-L1640 HydrophobicContact CH2-CD1 3.65Å; W1124-L1640 HydrophobicContact CH2-CG 4.13Å; W1124-L1640 HydrophobicContact CZ2-CD1 4.27Å; W1124-L1640 HydrophobicContact CZ2-CG 4.39Å; W1124-Y1644 AromaticContact CD1-CE2 3.99Å; W1124-Y1644 AromaticContact CD2-CD2 3.65Å; W1124-Y1644 HydrophobicContact CD2-CD2 3.65Å; W1124-Y1644 HydrophobicContact CD2-CE2 4.04Å; W1124-Y1644 AromaticContact CE2-CD2 3.52Å; W1124-Y1644 HydrophobicContact CE3-CD2 4Å; W1124-Y1644 HydrophobicContact CG-CD2 4.14Å; W1124-Y1644 HydrophobicContact CG-CE2 4.02Å; W1124-Y1644 HydrophobicContact CH2-CD2 4.03Å; W1124-Y1644 AromaticContact CZ2-CD2 3.77Å; W1124-Y1644 HydrophobicContact CZ2-CD2 3.77Å; W1124-Y1644 HydrophobicContact CZ2-CG 4.42Å; W1124-Y1644 HydrophobicContact CZ3-CD2 4.14Å; W1124-Y1644 AromaticContact NE1-CD2 3.93Å; W1124-F1648 HydrophobicContact CB-CD2 4.34Å; W1124-F1648 HydrophobicContact CB-CE1 4.43Å; W1124-F1648 HydrophobicContact CB-CE2 3.64Å; W1124-F1648 HydrophobicContact CB-CZ 3.68Å; W1124-F1648 HydrophobicContact CD2-CE2 4.14Å; W1124-F1648 HydrophobicContact CE3-CD2 4.18Å; W1124-F1648 AromaticContact CE3-CE2 3.64Å; W1124-F1648 HydrophobicContact CE3-CE2 3.64Å; W1124-F1648 HydrophobicContact CG-CE2 4.2Å |
| 1125 | I | 86.9 | Confident | 75.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.8 | -38 | 174.6 | -67.7 | 171.8 | 0 | 0 | 0 | 110.1 | F1121 S1122 V1132 K1133 A1136 T1204 | F1121-I1125 HydrophobicContact CB-CB 4.29Å; F1121-I1125 HydrophobicContact CB-CD1 4.13Å; F1121-I1125 HydrophobicContact CB-CG2 4.19Å; F1121-I1125 HydrophobicContact CD1-CD1 4.45Å; F1121-I1125 HydrophobicContact CD2-CG2 4.16Å; F1121-I1125 HydrophobicContact CG-CD1 4.26Å; F1121-I1125 HydrophobicContact CG-CG2 4.41Å; S1122-I1125 PolarHBondContact O-N 2.83Å; I1125-V1132 HydrophobicContact CB-CG1 4.25Å; I1125-V1132 HydrophobicContact CG1-CG1 4.03Å; I1125-V1132 HydrophobicContact CG2-CG1 4.23Å; I1125-K1133 HydrophobicContact CG2-CG 4.42Å; I1125-A1136 HydrophobicContact CD1-CB 3.9Å; I1125-A1136 HydrophobicContact CG1-CB 4.48Å; I1125-A1136 HydrophobicContact CG2-CB 3.72Å; I1125-T1204 HydrophobicContact CD1-CG2 3.97Å |
| 1126 | R | 80.1 | Confident | 77.9 | Confident | 39 Ų | 39 | 35.5 Ų | 35.5 | 15% | 0.147 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.9 | -32.4 | 178.8 | -64.5 | -176.6 | -73.7 | 132.8 | -5 | 112.6 | F1084 P1123 W1124 | F1084-R1126 VanDerWaalsContact CE1-O 3.25Å; F1084-R1126 WeakPolarHBondContact CE1-O 3.43Å; F1084-R1126 HydrophobicContact CE2-CB 4.39Å; F1084-R1126 WeakPolarHBondContact CE2-O 3.27Å; F1084-R1126 WeakPolarHBondContact CZ-O 3.34Å; P1123-R1126 PolarHBondContact O-N 3.24Å; W1124-R1126 PolarHBondContact O-N 2.93Å |
| 1127 | S | 83 | Confident | 80.5 | Confident | 29 Ų | 29 | 32 Ų | 32 | 20% | 0.203 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -84.7 | -14.3 | 179.5 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | L70 T71 P1123 W1124 | L70-S1127 PolarHBondContact N-O 3.38Å; T71-S1127 WeakPolarHBondContact CG2-O 3.4Å; T71-S1127 WeakPolarHBondContact CG2-OG 3.36Å; T71-S1127 PolarHBondContact N-O 3.18Å; P1123-S1127 PolarHBondContact O-N 2.82Å; P1123-S1127 PolarHBondContact O-OG 3.15Å; W1124-S1127 PolarHBondContact O-N 3.1Å; W1124-S1127 PolarHBondContact O-OG 2.72Å; W1124-S1127 VanDerWaalsContact O-OG 3.12Å |
| 1128 | S | 89.5 | Confident | 83.2 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -88.4 | 179 | -173 | -82.5 | 0 | 0 | 0 | 0 | 115.3 | D76 W1124 K1133 | D76-S1128 WeakPolarHBondContact OD2-CA 3.43Å; D76-S1128 WeakPolarHBondContact OD2-CB 3.48Å; D76-S1128 PolarHBondContact OD2-OG 2.8Å; D76-S1128 VanDerWaalsContact OD2-OG 3.07Å; W1124-S1128 WeakPolarHBondContact O-CB 3.34Å; W1124-S1128 PolarHBondContact O-N 3.09Å; W1124-S1128 PolarHBondContact O-OG 3.07Å; S1128-K1133 WeakPolarHBondContact O-CE 3.5Å; S1128-K1133 PolarHBondContact O-NZ 3.5Å |
| 1129 | S | 90.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -64.7 | 169.3 | 179 | 60.2 | 0 | 0 | 0 | 0 | 115.4 | D76 D79 L1131 V1132 K1133 | D76-S1129 WeakPolarHBondContact OD1-CB 3.25Å; D76-S1129 PolarHBondContact OD1-OG 2.9Å; D76-S1129 PolarHBondContact OD2-N 3.43Å; D79-S1129 WeakPolarHBondContact OD2-CA 3.1Å; D79-S1129 WeakPolarHBondContact OD2-CB 3.23Å; S1129-L1131 PolarHBondContact O-N 2.96Å; S1129-V1132 PolarHBondContact O-N 2.8Å; S1129-K1133 PolarHBondContact O-N 3.42Å | ||
| 1130 | S | 87.4 | Confident | 87.4 | Confident | 38 Ų | 38 | 19 Ų | 19 | 27% | 0.266 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -58.4 | -33.3 | 175.8 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | D79 K1133 K1134 | D79-S1130 WeakPolarHBondContact OD1-CB 3.44Å; D79-S1130 PolarHBondContact OD1-N 3.44Å; D79-S1130 PolarHBondContact OD1-OG 3.1Å; D79-S1130 PolarHBondContact OD2-N 2.74Å; S1130-K1133 PolarHBondContact O-N 3.49Å; S1130-K1134 WeakPolarHBondContact O-CB 3.32Å; S1130-K1134 VanDerWaalsContact O-CG 3.26Å; S1130-K1134 WeakPolarHBondContact O-CG 3.37Å; S1130-K1134 PolarHBondContact O-N 3.37Å |
| 1131 | L | 91.9 | Very high | 88.5 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.016 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 175.5 | 173.4 | 54.3 | 0 | 0 | 0 | 111.8 | F78 S1129 K1133 K1134 L1135 F1599 N1603 M1606 L1643 | F78-L1131 HydrophobicContact CB-CB 4.26Å; F78-L1131 HydrophobicContact CD1-CD2 3.81Å; F78-L1131 HydrophobicContact CD2-CB 4.44Å; F78-L1131 HydrophobicContact CD2-CD2 4.03Å; F78-L1131 HydrophobicContact CE1-CD2 3.9Å; F78-L1131 HydrophobicContact CE2-CD2 4.14Å; F78-L1131 HydrophobicContact CG-CB 4.28Å; F78-L1131 HydrophobicContact CG-CD2 3.88Å; F78-L1131 HydrophobicContact CZ-CD2 4.07Å; S1129-L1131 PolarHBondContact O-N 2.96Å; L1131-K1133 VanDerWaalsContact C-N 3.26Å; L1131-K1133 PolarHBondContact O-N 2.79Å; L1131-K1134 PolarHBondContact O-N 3.1Å; L1131-L1135 HydrophobicContact CD1-CD1 4Å; L1131-L1135 HydrophobicContact CD1-CG 4.15Å; L1131-L1135 HydrophobicContact CG-CD1 4.29Å; L1131-L1135 PolarHBondContact O-N 3.37Å; L1131-F1599 HydrophobicContact CD2-CB 3.86Å; L1131-N1603 HydrophobicContact CD1-CB 3.71Å; L1131-N1603 HydrophobicContact CD2-CB 4.31Å; L1131-N1603 HydrophobicContact CG-CB 4.48Å; L1131-M1606 HydrophobicContact CD1-CE 3.8Å; L1131-L1643 HydrophobicContact CD2-CD2 4.19Å; L1131-L1643 HydrophobicContact CG-CD2 4.03Å |
| 1132 | V | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 177.9 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | W1124 I1125 S1129 L1135 A1136 L1640 L1643 I1647 | W1124-V1132 HydrophobicContact CE3-CG1 4Å; W1124-V1132 HydrophobicContact CH2-CG1 3.87Å; W1124-V1132 HydrophobicContact CZ3-CB 4.49Å; W1124-V1132 HydrophobicContact CZ3-CG1 3.41Å; W1124-V1132 VanDerWaalsContact CZ3-CG1 3.41Å; W1124-V1132 HydrophobicContact CZ3-CG2 4.18Å; I1125-V1132 HydrophobicContact CB-CG1 4.25Å; I1125-V1132 HydrophobicContact CG1-CG1 4.03Å; I1125-V1132 HydrophobicContact CG2-CG1 4.23Å; S1129-V1132 PolarHBondContact O-N 2.8Å; V1132-L1135 PolarHBondContact O-N 2.64Å; V1132-A1136 WeakPolarHBondContact O-CB 3.44Å; V1132-A1136 PolarHBondContact O-N 3.43Å; V1132-L1640 HydrophobicContact CG1-CD1 4.37Å; V1132-L1643 HydrophobicContact CB-CD2 4.38Å; V1132-L1643 HydrophobicContact CG2-CD2 3.41Å; V1132-L1643 VanDerWaalsContact CG2-CD2 3.41Å; V1132-L1643 HydrophobicContact CG2-CG 3.84Å; V1132-I1647 HydrophobicContact CG2-CD1 3.92Å |
| 1133 | K | 88.8 | Confident | 89.6 | Confident | 47 Ų | 47 | 17.2 Ų | 17.2 | 20% | 0.204 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 179.6 | -64.2 | 167.1 | -162.1 | 160.5 | 0 | 111.9 | F1084 I1125 S1128 S1129 S1130 L1131 A1136 V1137 | F1084-K1133 HydrophobicContact CE2-CD 4.03Å; F1084-K1133 VanDerWaalsContact CE2-CE 3.49Å; I1125-K1133 HydrophobicContact CG2-CG 4.42Å; S1128-K1133 WeakPolarHBondContact O-CE 3.5Å; S1128-K1133 PolarHBondContact O-NZ 3.5Å; S1129-K1133 PolarHBondContact O-N 3.42Å; S1130-K1133 PolarHBondContact O-N 3.49Å; L1131-K1133 VanDerWaalsContact C-N 3.26Å; L1131-K1133 PolarHBondContact O-N 2.79Å; K1133-A1136 PolarHBondContact O-N 3.27Å; K1133-V1137 WeakPolarHBondContact O-CB 3.47Å; K1133-V1137 VanDerWaalsContact O-CG2 3.25Å; K1133-V1137 WeakPolarHBondContact O-CG2 3.34Å; K1133-V1137 PolarHBondContact O-N 2.92Å |
| 1134 | K | 90.2 | Very high | 90.1 | Very high | 66 Ų | 66 | 13 Ų | 13 | 29% | 0.287 | 7% | 0.065 | S | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 175.8 | -73 | 166.7 | -174.7 | 159.1 | 0 | 111.5 | S1130 L1131 V1137 A1138 N1603 M1606 E1607 | S1130-K1134 WeakPolarHBondContact O-CB 3.32Å; S1130-K1134 VanDerWaalsContact O-CG 3.26Å; S1130-K1134 WeakPolarHBondContact O-CG 3.37Å; S1130-K1134 PolarHBondContact O-N 3.37Å; L1131-K1134 PolarHBondContact O-N 3.1Å; K1134-V1137 PolarHBondContact O-N 3.48Å; K1134-A1138 WeakPolarHBondContact O-CB 3.21Å; K1134-A1138 PolarHBondContact O-N 3.36Å; K1134-N1603 PolarHBondContact NZ-OD1 3.4Å; K1134-M1606 HydrophobicContact CB-CE 3.45Å; K1134-M1606 VanDerWaalsContact CB-CE 3.45Å; K1134-M1606 HydrophobicContact CB-SD 4.09Å; K1134-M1606 HydrophobicContact CD-CE 3.87Å; K1134-M1606 HydrophobicContact CG-CE 4.29Å; K1134-E1607 IonicContact NZ-OE1 3.35Å; K1134-E1607 PolarHBondContact NZ-OE1 3.18Å |
| 1135 | L | 93.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 12 Ų | 12 | 2% | 0.016 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 175 | -75 | 168.7 | 0 | 0 | 0 | 111.4 | L1131 V1132 V1137 A1138 T1139 M1606 L1614 V1636 I1639 L1640 L1643 | L1131-L1135 HydrophobicContact CD1-CD1 4Å; L1131-L1135 HydrophobicContact CD1-CG 4.15Å; L1131-L1135 HydrophobicContact CG-CD1 4.29Å; L1131-L1135 PolarHBondContact O-N 3.37Å; V1132-L1135 PolarHBondContact O-N 2.64Å; L1135-V1137 PolarHBondContact O-N 3.23Å; L1135-A1138 WeakPolarHBondContact O-CB 3.34Å; L1135-A1138 PolarHBondContact O-N 2.88Å; L1135-A1138 VanDerWaalsContact O-N 3.11Å; L1135-T1139 WeakPolarHBondContact O-CG2 3.3Å; L1135-T1139 PolarHBondContact O-N 3Å; L1135-M1606 HydrophobicContact CD2-SD 4.31Å; L1135-M1606 HydrophobicContact CG-CE 4.5Å; L1135-L1614 HydrophobicContact CD2-CD1 4.07Å; L1135-V1636 HydrophobicContact CD2-CG1 4.13Å; L1135-I1639 HydrophobicContact CD1-CG2 3.96Å; L1135-I1639 HydrophobicContact CD2-CG2 4.29Å; L1135-L1640 HydrophobicContact CB-CD1 3.96Å; L1135-L1640 HydrophobicContact CD1-CD1 4.37Å; L1135-L1643 HydrophobicContact CD1-CD2 3.8Å |
| 1136 | A | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1121 I1125 V1132 K1133 A1138 T1139 | F1121-A1136 HydrophobicContact CD2-CB 4.07Å; F1121-A1136 HydrophobicContact CE1-CB 4.49Å; F1121-A1136 HydrophobicContact CE2-CB 3.72Å; F1121-A1136 HydrophobicContact CZ-CB 3.97Å; F1121-A1136 VanDerWaalsContact CZ-O 3.3Å; F1121-A1136 WeakPolarHBondContact CZ-O 3.44Å; I1125-A1136 HydrophobicContact CD1-CB 3.9Å; I1125-A1136 HydrophobicContact CG1-CB 4.48Å; I1125-A1136 HydrophobicContact CG2-CB 3.72Å; V1132-A1136 WeakPolarHBondContact O-CB 3.44Å; V1132-A1136 PolarHBondContact O-N 3.43Å; K1133-A1136 PolarHBondContact O-N 3.27Å; A1136-A1138 VanDerWaalsContact C-N 3.32Å; A1136-A1138 PolarHBondContact O-N 3.08Å; A1136-T1139 WeakPolarHBondContact O-CB 3.27Å; A1136-T1139 PolarHBondContact O-N 2.86Å; A1136-T1139 PolarHBondContact O-OG1 3.48Å |
| 1137 | V | 90.7 | Very high | 90.1 | Very high | 11 Ų | 11 | 11.7 Ų | 11.7 | 7% | 0.067 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61 | -40.9 | 173.2 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | F958 V1081 K1133 K1134 L1135 T1139 T1140 | F958-V1137 HydrophobicContact CE2-CG1 3.94Å; F958-V1137 HydrophobicContact CZ-CG1 3.6Å; V1081-V1137 HydrophobicContact CB-CG2 4.38Å; V1081-V1137 HydrophobicContact CG1-CG2 3.84Å; K1133-V1137 WeakPolarHBondContact O-CB 3.47Å; K1133-V1137 VanDerWaalsContact O-CG2 3.25Å; K1133-V1137 WeakPolarHBondContact O-CG2 3.34Å; K1133-V1137 PolarHBondContact O-N 2.92Å; K1134-V1137 PolarHBondContact O-N 3.48Å; L1135-V1137 PolarHBondContact O-N 3.23Å; V1137-T1139 VanDerWaalsContact C-N 3.27Å; V1137-T1139 PolarHBondContact O-N 2.72Å; V1137-T1140 WeakPolarHBondContact O-CB 3.22Å; V1137-T1140 PolarHBondContact O-N 2.95Å; V1137-T1140 PolarHBondContact O-OG1 3.49Å |
| 1138 | A | 93.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.2 | -32.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1134 L1135 A1136 T1140 Q1141 F1142 V1636 | K1134-A1138 WeakPolarHBondContact O-CB 3.21Å; K1134-A1138 PolarHBondContact O-N 3.36Å; L1135-A1138 WeakPolarHBondContact O-CB 3.34Å; L1135-A1138 PolarHBondContact O-N 2.88Å; L1135-A1138 VanDerWaalsContact O-N 3.11Å; A1136-A1138 VanDerWaalsContact C-N 3.32Å; A1136-A1138 PolarHBondContact O-N 3.08Å; A1138-T1140 PolarHBondContact O-N 2.81Å; A1138-T1140 VanDerWaalsContact O-N 3.15Å; A1138-Q1141 VanDerWaalsContact O-CB 3.25Å; A1138-Q1141 WeakPolarHBondContact O-CB 3.32Å; A1138-Q1141 VanDerWaalsContact O-CG 3.31Å; A1138-Q1141 WeakPolarHBondContact O-CG 3.5Å; A1138-Q1141 PolarHBondContact O-N 3.4Å; A1138-F1142 VanDerWaalsContact O-CE2 3.31Å; A1138-F1142 WeakPolarHBondContact O-CE2 3.49Å; A1138-V1636 HydrophobicContact CB-CG1 4.05Å; A1138-V1636 HydrophobicContact CB-CG2 4.36Å |
| 1139 | T | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.4 | -24.6 | 174.7 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | L1135 A1136 V1137 Q1141 C1200 T1204 V1636 L1640 | L1135-T1139 WeakPolarHBondContact O-CG2 3.3Å; L1135-T1139 PolarHBondContact O-N 3Å; A1136-T1139 WeakPolarHBondContact O-CB 3.27Å; A1136-T1139 PolarHBondContact O-N 2.86Å; A1136-T1139 PolarHBondContact O-OG1 3.48Å; V1137-T1139 VanDerWaalsContact C-N 3.27Å; V1137-T1139 PolarHBondContact O-N 2.72Å; T1139-Q1141 PolarHBondContact O-N 3.49Å; T1139-C1200 HydrophobicContact CG2-CB 4.31Å; T1139-T1204 HydrophobicContact CG2-CG2 4.22Å; T1139-V1636 HydrophobicContact CG2-CG1 3.87Å; T1139-L1640 HydrophobicContact CG2-CD2 4.08Å |
| 1140 | T | 91.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -16.5 | 177.4 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | L950 N954 F958 V1081 F1121 V1137 A1138 F1142 | L950-T1140 HydrophobicContact CD2-CG2 4.17Å; N954-T1140 PolarHBondContact ND2-O 3.25Å; F958-T1140 VanDerWaalsContact CE2-OG1 3.26Å; F958-T1140 WeakPolarHBondContact CE2-OG1 3.35Å; V1081-T1140 HydrophobicContact CG1-CG2 4.13Å; F1121-T1140 HydrophobicContact CE1-CG2 4.47Å; F1121-T1140 HydrophobicContact CZ-CG2 3.87Å; V1137-T1140 WeakPolarHBondContact O-CB 3.22Å; V1137-T1140 PolarHBondContact O-N 2.95Å; V1137-T1140 PolarHBondContact O-OG1 3.49Å; A1138-T1140 PolarHBondContact O-N 2.81Å; A1138-T1140 VanDerWaalsContact O-N 3.15Å; T1140-F1142 VanDerWaalsContact C-N 3.3Å; T1140-F1142 PolarHBondContact O-N 2.81Å |
| 1141 | Q | 94 | Very high | 89.1 | Confident | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -34.8 | 178.2 | -63.4 | 166.6 | 10.1 | 0 | 0 | 111.8 | N954 F958 Y984 A1138 T1139 L1178 W1611 C1612 S1613 | N954-Q1141 PolarHBondContact ND2-O 3.1Å; F958-Q1141 HydrophobicContact CB-CG 4.27Å; F958-Q1141 HydrophobicContact CD1-CG 3.69Å; F958-Q1141 HydrophobicContact CD2-CG 4.04Å; F958-Q1141 HydrophobicContact CE1-CG 3.94Å; F958-Q1141 HydrophobicContact CE2-CG 4.31Å; F958-Q1141 HydrophobicContact CG-CG 3.75Å; F958-Q1141 HydrophobicContact CZ-CG 4.28Å; Y984-Q1141 PolarHBondContact OH-OE1 2.74Å; A1138-Q1141 VanDerWaalsContact O-CB 3.25Å; A1138-Q1141 WeakPolarHBondContact O-CB 3.32Å; A1138-Q1141 VanDerWaalsContact O-CG 3.31Å; A1138-Q1141 WeakPolarHBondContact O-CG 3.5Å; A1138-Q1141 PolarHBondContact O-N 3.4Å; T1139-Q1141 PolarHBondContact O-N 3.49Å; Q1141-L1178 HydrophobicContact CB-CD1 4.34Å; Q1141-W1611 PolarHBondContact NE2-O 3.24Å; Q1141-C1612 PolarHBondContact NE2-O 3.46Å; Q1141-S1613 PolarHBondContact OE1-OG 3.22Å |
| 1142 | F | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -26.6 | -167.8 | -50.3 | -63 | 0 | 0 | 0 | 113.9 | A1138 T1140 L1174 A1175 L1178 R1187 A1631 Q1632 A1633 V1636 | A1138-F1142 VanDerWaalsContact O-CE2 3.31Å; A1138-F1142 WeakPolarHBondContact O-CE2 3.49Å; T1140-F1142 VanDerWaalsContact C-N 3.3Å; T1140-F1142 PolarHBondContact O-N 2.81Å; F1142-L1174 HydrophobicContact CB-CD1 3.65Å; F1142-L1174 HydrophobicContact CB-CG 4.42Å; F1142-L1174 WeakPolarHBondContact O-CA 3.45Å; F1142-A1175 PolarHBondContact O-N 3.1Å; F1142-L1178 HydrophobicContact CD1-CG 4.41Å; F1142-R1187 PolarHBondContact O-NH2 2.69Å; F1142-A1631 VanDerWaalsContact CE1-C 3.48Å; F1142-A1631 HydrophobicContact CE1-CB 3.91Å; F1142-A1631 WeakPolarHBondContact CE1-O 3.44Å; F1142-A1631 HydrophobicContact CZ-CB 4.18Å; F1142-Q1632 VanDerWaalsContact CZ-C 3.45Å; F1142-A1633 HydrophobicContact CB-CB 3.99Å; F1142-A1633 HydrophobicContact CD1-CB 4.06Å; F1142-A1633 HydrophobicContact CD2-CB 3.78Å; F1142-A1633 HydrophobicContact CE2-CB 4.29Å; F1142-A1633 HydrophobicContact CG-CB 3.65Å; F1142-V1636 HydrophobicContact CE2-CB 4.04Å; F1142-V1636 HydrophobicContact CE2-CG1 4.47Å; F1142-V1636 HydrophobicContact CE2-CG2 3.92Å; F1142-V1636 HydrophobicContact CZ-CG2 4.07Å |
| 1143 | Y | 92.4 | Very high | 87.9 | Confident | 7 Ų | 7 | 13.4 Ų | 13.4 | 3% | 0.027 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 118.3 | -178.4 | -172.1 | -84.8 | 0 | 0 | 0 | 110.7 | L951 C1172 S1173 L1174 L1201 R1206 D1209 I1213 | L951-Y1143 HydrophobicContact CD2-CD1 3.64Å; L951-Y1143 HydrophobicContact CD2-CE1 3.74Å; Y1143-C1172 HydrophobicContact CE1-CB 3.73Å; Y1143-C1172 HydrophobicContact CE2-CB 4.39Å; Y1143-C1172 WeakPolarHBondContact OH-CB 3.44Å; Y1143-S1173 WeakPolarHBondContact CA-O 3.19Å; Y1143-L1174 HydrophobicContact CD2-CB 4.31Å; Y1143-L1174 HydrophobicContact CD2-CD1 4.42Å; Y1143-L1201 HydrophobicContact CD2-CD2 4.35Å; Y1143-R1206 VanDerWaalsContact CG-NH2 3.29Å; Y1143-D1209 HydrophobicContact CE1-CB 4.19Å; Y1143-D1209 HydrophobicContact CE2-CB 3.94Å; Y1143-D1209 PolarHBondContact OH-OD1 2.96Å; Y1143-I1213 HydrophobicContact CD2-CD1 4.14Å; Y1143-I1213 HydrophobicContact CE2-CD1 3.84Å; Y1143-I1213 HydrophobicContact CE2-CG1 4.26Å |
| 1144 | G | 88.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 164.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113 | C1172 S1173 R1187 | G1144-C1172 WeakPolarHBondContact O-CA 3.29Å; G1144-S1173 PolarHBondContact N-O 3.26Å; G1144-S1173 PolarHBondContact O-N 3.22Å; G1144-R1187 PolarHBondContact O-NH2 3.32Å |
| 1145 | F | 86.9 | Confident | 86.4 | Confident | 2 Ų | 2 | 9.9 Ų | 9.9 | 1% | 0.009 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 133.3 | 166.6 | 170.9 | -86.7 | 0 | 0 | 0 | 110 | R959 P1029 L1035 I1036 F1171 | R959-F1145 PolarHBondContact NH1-O 3.24Å; R959-F1145 PolarHBondContact NH2-O 3.45Å; P1029-F1145 HydrophobicContact CB-CD1 4.04Å; P1029-F1145 HydrophobicContact CB-CE1 3.39Å; P1029-F1145 HydrophobicContact CB-CZ 4.17Å; P1029-F1145 HydrophobicContact CG-CD1 4.21Å; P1029-F1145 HydrophobicContact CG-CE1 4.06Å; L1035-F1145 HydrophobicContact CD1-CD2 3.99Å; I1036-F1145 HydrophobicContact CD1-CB 4.08Å; I1036-F1145 HydrophobicContact CD1-CD1 4.04Å; I1036-F1145 HydrophobicContact CD1-CG 4.19Å; F1145-F1171 WeakPolarHBondContact CA-O 3.4Å; F1145-F1171 HydrophobicContact CD2-CB 3.32Å; F1145-F1171 HydrophobicContact CD2-CG 4.16Å; F1145-F1171 HydrophobicContact CE2-CB 3.31Å; F1145-F1171 HydrophobicContact CE2-CD1 4.06Å; F1145-F1171 HydrophobicContact CE2-CD2 4.2Å; F1145-F1171 AromaticContact CE2-CG 3.62Å; F1145-F1171 HydrophobicContact CE2-CG 3.62Å; F1145-F1171 HydrophobicContact CG-CB 4.46Å; F1145-F1171 HydrophobicContact CZ-CB 4.45Å |
| 1146 | I | 87.2 | Confident | 85 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -138 | 118.3 | 174.2 | -62.7 | -64.8 | 0 | 0 | 0 | 109.8 | E963 A966 N1148 S1149 F1171 E1183 R1187 | E963-I1146 HydrophobicContact CB-CD1 3.68Å; E963-I1146 HydrophobicContact CG-CD1 3.71Å; A966-I1146 HydrophobicContact CB-CG2 3.79Å; I1146-N1148 VanDerWaalsContact C-N 3.26Å; I1146-N1148 WeakPolarHBondContact CG2-OD1 3.49Å; I1146-N1148 PolarHBondContact O-N 3.44Å; I1146-S1149 PolarHBondContact O-N 3.24Å; I1146-S1149 VanDerWaalsContact O-N 3.16Å; I1146-F1171 PolarHBondContact N-O 2.62Å; I1146-E1183 HydrophobicContact CG2-CB 4.12Å; I1146-R1187 VanDerWaalsContact CG1-NE 3.29Å | ||
| 1147 | G | 77.5 | Confident | 83.5 | Confident | 34 Ų | 34 | 18.9 Ų | 18.9 | 35% | 0.351 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1148 | N | 82.8 | Confident | 81.6 | Confident | 67 Ų | 67 | 23.3 Ų | 23.3 | 36% | 0.358 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 9.4 | 179.4 | 68.2 | 3.8 | 0 | 0 | 0 | 114.2 | I1146 E1183 G1184 | I1146-N1148 VanDerWaalsContact C-N 3.26Å; I1146-N1148 WeakPolarHBondContact CG2-OD1 3.49Å; I1146-N1148 PolarHBondContact O-N 3.44Å; N1148-E1183 PolarHBondContact ND2-OE2 3.34Å; N1148-G1184 PolarHBondContact OD1-N 2.67Å; N1148-G1184 VanDerWaalsContact OD1-N 3.17Å |
| 1149 | S | 83 | Confident | 79.6 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | trans | -133 | 96.5 | 176.6 | -60 | 0 | 0 | 0 | 0 | 110 | I1146 G1184 | I1146-S1149 PolarHBondContact O-N 3.24Å; I1146-S1149 VanDerWaalsContact O-N 3.16Å; S1149-G1184 PolarHBondContact OG-N 3.06Å; S1149-G1184 PolarHBondContact OG-O 2.82Å | ||
| 1150 | C | 78.8 | Confident | 77.6 | Confident | 33 Ų | 33 | 35.4 Ų | 35.4 | 22% | 0.223 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -102.5 | 131.2 | 178.6 | -166.9 | 0 | 0 | 0 | 0 | 110.5 | F1171 | C1150-F1171 HydrophobicContact CB-CD1 4.2Å; C1150-F1171 HydrophobicContact CB-CE1 4.22Å |
| 1151 | L | 85.6 | Confident | 75.8 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 150 | 160.6 | -62.8 | -178.2 | 0 | 0 | 0 | 109.4 | G1153 M1170 C1172 I1213 Y1217 I1230 | L1151-G1153 PolarHBondContact O-N 3.37Å; L1151-M1170 WeakPolarHBondContact CA-O 3.44Å; L1151-M1170 HydrophobicContact CB-CB 3.77Å; L1151-M1170 WeakPolarHBondContact CB-O 3.45Å; L1151-M1170 PolarHBondContact N-O 2.81Å; L1151-C1172 VanDerWaalsContact CD1-O 3.25Å; L1151-C1172 WeakPolarHBondContact CD1-O 3.41Å; L1151-I1213 HydrophobicContact CD1-CG1 4.28Å; L1151-Y1217 HydrophobicContact CD2-CE2 4.2Å; L1151-I1230 HydrophobicContact CD2-CD1 3.52Å |
| 1152 | P | 82.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 140.9 | 170.3 | -15.1 | 23.5 | 0 | 0 | 0 | 110.6 | S1216 S1219 L1220 W1293 | P1152-S1216 WeakPolarHBondContact O-CB 3.48Å; P1152-S1216 PolarHBondContact O-OG 3.29Å; P1152-S1219 VanDerWaalsContact CB-OG 3.32Å; P1152-S1219 WeakPolarHBondContact CB-OG 3.44Å; P1152-L1220 HydrophobicContact CB-CD2 4.22Å; P1152-L1220 HydrophobicContact CB-CG 4.33Å; P1152-L1220 HydrophobicContact CG-CD1 3.36Å; P1152-L1220 HydrophobicContact CG-CD2 3.57Å; P1152-L1220 HydrophobicContact CG-CG 3.42Å; P1152-L1220 VanDerWaalsContact CG-CG 3.42Å; P1152-W1293 HydrophobicContact CB-CG 4.43Å; P1152-W1293 HydrophobicContact CG-CD2 4.27Å; P1152-W1293 HydrophobicContact CG-CG 4.47Å |
| 1153 | G | 75.2 | Confident | 72 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 157.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1151 I1167 E1168 | L1151-G1153 PolarHBondContact O-N 3.37Å; G1153-I1167 VanDerWaalsContact C-CG2 3.46Å; G1153-E1168 CarbonylContact C-O 3.04Å; G1153-E1168 VanDerWaalsContact C-O 3.32Å; G1153-E1168 WeakPolarHBondContact CA-O 3.4Å |
| 1154 | R | 75.2 | Confident | 70.6 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 12% | 0.117 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 145.8 | 178.3 | -169.1 | -172.5 | 71.7 | 171.3 | 8.8 | 111 | I1156 I1167 E1168 M1170 N1212 L1215 | R1154-I1156 PolarHBondContact O-N 2.98Å; R1154-I1167 CarbonylContact O-C 3.6Å; R1154-I1167 WeakPolarHBondContact O-CA 3.46Å; R1154-E1168 PolarHBondContact N-O 3.36Å; R1154-E1168 PolarHBondContact O-N 2.98Å; R1154-M1170 HydrophobicContact CB-CE 3.91Å; R1154-M1170 HydrophobicContact CB-CG 4.3Å; R1154-M1170 HydrophobicContact CB-SD 4.47Å; R1154-N1212 PolarHBondContact NH1-OD1 3.15Å; R1154-L1215 HydrophobicContact CG-CD1 4.33Å |
| 1155 | V | 73.3 | Confident | 69.6 | Low | 8 Ų | 8 | 57.6 Ų | 57.6 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 122.4 | 170.1 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | E1166 P1280 | V1155-E1166 WeakPolarHBondContact CA-O 3.27Å; V1155-P1280 HydrophobicContact CB-CB 4.02Å; V1155-P1280 HydrophobicContact CB-CG 3.92Å; V1155-P1280 HydrophobicContact CG1-CB 3.98Å; V1155-P1280 HydrophobicContact CG1-CG 3.89Å; V1155-P1280 HydrophobicContact CG2-CB 4.44Å |
| 1156 | I | 64.7 | Low | 68.7 | Low | 61 Ų | 61 | 63 Ų | 63 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -47.2 | -179.6 | -47.4 | 177.6 | 0 | 0 | 0 | 111.3 | R1154 E1166 E1168 | R1154-I1156 PolarHBondContact O-N 2.98Å; I1156-E1166 PolarHBondContact N-O 2.89Å; I1156-E1168 HydrophobicContact CD1-CB 3.47Å; I1156-E1168 VanDerWaalsContact CD1-CB 3.47Å; I1156-E1168 HydrophobicContact CD1-CG 3.71Å; I1156-E1168 HydrophobicContact CG1-CB 3.58Å; I1156-E1168 HydrophobicContact CG1-CG 4.29Å |
| 1157 | Q | 59.7 | Low | 68 | Low | 131 Ų | 131 | 64.2 Ų | 64.2 | 61% | 0.612 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 136.5 | -174.1 | -124.7 | 175.5 | 11.7 | 0 | 0 | 110.4 | ||
| 1158 | F | 50.6 | Low | 67.7 | Low | 103 Ų | 103 | 65.9 Ų | 65.9 | 45% | 0.452 | 33% | 0.329 | S | S | . | . | trans | -106.5 | 92.2 | 167.4 | -178.4 | -114.7 | 0 | 0 | 0 | 108.2 | K1160 I1307 | F1158-K1160 HydrophobicContact CD1-CG 3.81Å; F1158-K1160 HydrophobicContact CE1-CB 4.37Å; F1158-K1160 HydrophobicContact CE1-CG 3.43Å; F1158-K1160 VanDerWaalsContact CE1-CG 3.43Å; F1158-K1160 HydrophobicContact CZ-CG 4.33Å; F1158-K1160 PolarHBondContact O-N 2.91Å; F1158-I1307 HydrophobicContact CD2-CD1 4.28Å | ||
| 1159 | N | 51 | Low | 67 | Low | 83 Ų | 83 | 63.3 Ų | 63.3 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | trans | -75.2 | 109.6 | 166.2 | -171.4 | -3.1 | 0 | 0 | 0 | 107.7 | D1161 S1162 | N1159-D1161 PolarHBondContact O-N 3.42Å; N1159-D1161 PolarHBondContact OD1-N 2.85Å; N1159-S1162 PolarHBondContact O-N 3.1Å; N1159-S1162 VanDerWaalsContact O-N 3.09Å; N1159-S1162 VanDerWaalsContact O-O 3.06Å | ||
| 1160 | K | 52.2 | Low | 66.7 | Low | 172 Ų | 172 | 64 Ų | 64 | 75% | 0.748 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -21.9 | 178.9 | -79.2 | 178 | -179.8 | 179.2 | 0 | 112.8 | F1158 | F1158-K1160 HydrophobicContact CD1-CG 3.81Å; F1158-K1160 HydrophobicContact CE1-CB 4.37Å; F1158-K1160 HydrophobicContact CE1-CG 3.43Å; F1158-K1160 VanDerWaalsContact CE1-CG 3.43Å; F1158-K1160 HydrophobicContact CZ-CG 4.33Å; F1158-K1160 PolarHBondContact O-N 2.91Å |
| 1161 | D | 54.6 | Low | 66.5 | Low | 151 Ų | 151 | 63.6 Ų | 63.6 | 81% | 0.807 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -25.8 | -178.5 | -60.5 | -29 | 0 | 0 | 0 | 113.7 | N1159 | N1159-D1161 PolarHBondContact O-N 3.42Å; N1159-D1161 PolarHBondContact OD1-N 2.85Å |
| 1162 | S | 53.8 | Low | 66.6 | Low | 52 Ų | 52 | 63.9 Ų | 63.9 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -103.8 | 106 | 173.8 | 64.8 | 0 | 0 | 0 | 0 | 109 | N1159 N1164 | N1159-S1162 PolarHBondContact O-N 3.1Å; N1159-S1162 VanDerWaalsContact O-N 3.09Å; N1159-S1162 VanDerWaalsContact O-O 3.06Å; S1162-N1164 PolarHBondContact O-N 3.35Å |
| 1163 | Q | 56.5 | Low | 67 | Low | 161 Ų | 161 | 64 Ų | 64 | 75% | 0.752 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -57.6 | -6.4 | -176.9 | -69.8 | -175.8 | -11.4 | 0 | 0 | 115.7 | S1304 | Q1163-S1304 VanDerWaalsContact O-CB 3.31Å; Q1163-S1304 WeakPolarHBondContact O-CB 3.22Å; Q1163-S1304 PolarHBondContact O-OG 3.49Å |
| 1164 | N | 62.5 | Low | 67.9 | Low | 107 Ų | 107 | 63.9 Ų | 63.9 | 57% | 0.572 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -101.8 | 125 | 176.8 | -66.2 | -10.1 | 0 | 0 | 0 | 111 | S1162 | S1162-N1164 PolarHBondContact O-N 3.35Š|
| 1165 | P | 67.3 | Low | 68.9 | Low | 6 Ų | 6 | 62.4 Ų | 62.4 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 153.6 | 174.6 | 29.4 | -33.3 | 0 | 0 | 0 | 113.1 | Y1282 L1302 I1307 | P1165-Y1282 HydrophobicContact CG-CD2 4.29Å; P1165-Y1282 HydrophobicContact CG-CE2 4.16Å; P1165-L1302 HydrophobicContact CG-CB 4.04Å; P1165-L1302 VanDerWaalsContact O-CD1 3.3Å; P1165-L1302 WeakPolarHBondContact O-CD1 3.43Å; P1165-I1307 HydrophobicContact CB-CD1 3.44Å; P1165-I1307 VanDerWaalsContact CB-CD1 3.44Å; P1165-I1307 HydrophobicContact CB-CG1 4.47Å; P1165-I1307 HydrophobicContact CG-CD1 3.79Å; P1165-I1307 HydrophobicContact CG-CG1 4.44Å |
| 1166 | E | 69.6 | Low | 69.9 | Low | 115 Ų | 115 | 62.1 Ų | 62.1 | 54% | 0.537 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.8 | 169.1 | -68 | -174.4 | 179.6 | 0 | 0 | 110.6 | V1155 I1156 | V1155-E1166 WeakPolarHBondContact CA-O 3.27Å; I1156-E1166 PolarHBondContact N-O 2.89Å |
| 1167 | I | 70.5 | Confident | 71.3 | Confident | 27 Ų | 27 | 59.2 Ų | 59.2 | 14% | 0.138 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 121.7 | 177.8 | -62.2 | -178.3 | 0 | 0 | 0 | 109.6 | G1153 R1154 Y1282 W1284 L1302 | G1153-I1167 VanDerWaalsContact C-CG2 3.46Å; R1154-I1167 CarbonylContact O-C 3.6Å; R1154-I1167 WeakPolarHBondContact O-CA 3.46Å; I1167-Y1282 HydrophobicContact CD1-CD1 3.7Å; I1167-Y1282 HydrophobicContact CD1-CD2 3.67Å; I1167-Y1282 HydrophobicContact CD1-CE1 4.03Å; I1167-Y1282 HydrophobicContact CD1-CE2 4Å; I1167-Y1282 HydrophobicContact CD1-CG 3.49Å; I1167-Y1282 VanDerWaalsContact CD1-CG 3.49Å; I1167-W1284 HydrophobicContact CD1-CH2 4.28Å; I1167-W1284 HydrophobicContact CD1-CZ2 4.03Å; I1167-L1302 HydrophobicContact CB-CD1 4.41Å; I1167-L1302 HydrophobicContact CD1-CD1 3.98Å; I1167-L1302 HydrophobicContact CD1-CD2 3.59Å; I1167-L1302 HydrophobicContact CD1-CG 4.4Å; I1167-L1302 HydrophobicContact CG1-CD1 4.04Å |
| 1168 | E | 72.1 | Confident | 73.1 | Confident | 68 Ų | 68 | 53 Ų | 53 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.3 | 173.8 | -153.2 | 176.5 | 171.5 | 0 | 0 | 111 | G1153 R1154 I1156 M1170 | G1153-E1168 CarbonylContact C-O 3.04Å; G1153-E1168 VanDerWaalsContact C-O 3.32Å; G1153-E1168 WeakPolarHBondContact CA-O 3.4Å; R1154-E1168 PolarHBondContact N-O 3.36Å; R1154-E1168 PolarHBondContact O-N 2.98Å; I1156-E1168 HydrophobicContact CD1-CB 3.47Å; I1156-E1168 VanDerWaalsContact CD1-CB 3.47Å; I1156-E1168 HydrophobicContact CD1-CG 3.71Å; I1156-E1168 HydrophobicContact CG1-CB 3.58Å; I1156-E1168 HydrophobicContact CG1-CG 4.29Å; E1168-M1170 HydrophobicContact CB-CE 3.72Å; E1168-M1170 HydrophobicContact CG-CE 3.89Å; E1168-M1170 PolarHBondContact O-N 2.86Å; E1168-M1170 WeakPolarHBondContact OE2-CE 3.45Å |
| 1169 | A | 68.2 | Low | 75.1 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 131.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | F1171 Y1297 | A1169-F1171 HydrophobicContact CB-CD2 4.12Å; A1169-F1171 HydrophobicContact CB-CE2 3.47Å; A1169-F1171 VanDerWaalsContact CB-CE2 3.47Å; A1169-F1171 HydrophobicContact CB-CZ 3.98Å; A1169-Y1297 WeakPolarHBondContact CB-OH 3.09Å |
| 1170 | M | 76.6 | Confident | 77.1 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 95.5 | -177.1 | -73.3 | -74.5 | 131.3 | 0 | 0 | 110.1 | L1151 R1154 E1168 N1212 | L1151-M1170 WeakPolarHBondContact CA-O 3.44Å; L1151-M1170 HydrophobicContact CB-CB 3.77Å; L1151-M1170 WeakPolarHBondContact CB-O 3.45Å; L1151-M1170 PolarHBondContact N-O 2.81Å; R1154-M1170 HydrophobicContact CB-CE 3.91Å; R1154-M1170 HydrophobicContact CB-CG 4.3Å; R1154-M1170 HydrophobicContact CB-SD 4.47Å; E1168-M1170 HydrophobicContact CB-CE 3.72Å; E1168-M1170 HydrophobicContact CG-CE 3.89Å; E1168-M1170 PolarHBondContact O-N 2.86Å; E1168-M1170 WeakPolarHBondContact OE2-CE 3.45Å; M1170-N1212 HydrophobicContact SD-CB 4.14Å |
| 1171 | F | 75.4 | Confident | 79.1 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 11% | 0.114 | 23% | 0.23 | C | C | . | . | trans | -89.5 | -4.5 | -178.9 | -66.9 | -81 | 0 | 0 | 0 | 114.5 | N1031 L1035 F1145 I1146 C1150 A1169 | N1031-F1171 HydrophobicContact CB-CZ 4.33Å; L1035-F1171 HydrophobicContact CD1-CB 4.2Å; F1145-F1171 WeakPolarHBondContact CA-O 3.4Å; F1145-F1171 HydrophobicContact CD2-CB 3.32Å; F1145-F1171 HydrophobicContact CD2-CG 4.16Å; F1145-F1171 HydrophobicContact CE2-CB 3.31Å; F1145-F1171 HydrophobicContact CE2-CD1 4.06Å; F1145-F1171 HydrophobicContact CE2-CD2 4.2Å; F1145-F1171 AromaticContact CE2-CG 3.62Å; F1145-F1171 HydrophobicContact CE2-CG 3.62Å; F1145-F1171 HydrophobicContact CG-CB 4.46Å; F1145-F1171 HydrophobicContact CZ-CB 4.45Å; I1146-F1171 PolarHBondContact N-O 2.62Å; C1150-F1171 HydrophobicContact CB-CD1 4.2Å; C1150-F1171 HydrophobicContact CB-CE1 4.22Å; A1169-F1171 HydrophobicContact CB-CD2 4.12Å; A1169-F1171 HydrophobicContact CB-CE2 3.47Å; A1169-F1171 VanDerWaalsContact CB-CE2 3.47Å; A1169-F1171 HydrophobicContact CB-CZ 3.98Å | ||
| 1172 | C | 87.8 | Confident | 80.9 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 5% | 0.054 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.7 | 177.2 | -65.3 | 0 | 0 | 0 | 0 | 110.5 | L951 Y1143 G1144 L1151 | L951-C1172 WeakPolarHBondContact CD1-SG 3.44Å; Y1143-C1172 HydrophobicContact CE1-CB 3.73Å; Y1143-C1172 HydrophobicContact CE2-CB 4.39Å; Y1143-C1172 WeakPolarHBondContact OH-CB 3.44Å; G1144-C1172 WeakPolarHBondContact O-CA 3.29Å; L1151-C1172 VanDerWaalsContact CD1-O 3.25Å; L1151-C1172 WeakPolarHBondContact CD1-O 3.41Å |
| 1173 | S | 91 | Very high | 82.7 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 162.9 | 176.3 | 64.6 | 0 | 0 | 0 | 0 | 111.4 | Y1143 G1144 R1187 | Y1143-S1173 WeakPolarHBondContact CA-O 3.19Å; G1144-S1173 PolarHBondContact N-O 3.26Å; G1144-S1173 PolarHBondContact O-N 3.22Å; S1173-R1187 PolarHBondContact O-NH2 3.15Å; S1173-R1187 VanDerWaalsContact OG-CD 3.28Å; S1173-R1187 WeakPolarHBondContact OG-CD 3.49Å; S1173-R1187 PolarHBondContact OG-NE 2.6Å |
| 1174 | L | 94.1 | Very high | 84.2 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 114.7 | 176.5 | -170.8 | 72.4 | 0 | 0 | 0 | 109.1 | F1142 Y1143 T1193 I1213 | F1142-L1174 HydrophobicContact CB-CD1 3.65Å; F1142-L1174 HydrophobicContact CB-CG 4.42Å; F1142-L1174 WeakPolarHBondContact O-CA 3.45Å; Y1143-L1174 HydrophobicContact CD2-CB 4.31Å; Y1143-L1174 HydrophobicContact CD2-CD1 4.42Å; L1174-T1193 HydrophobicContact CB-CG2 4.43Å; L1174-T1193 HydrophobicContact CD2-CG2 4.32Å; L1174-I1213 HydrophobicContact CB-CD1 3.94Å |
| 1175 | A | 95 | Very high | 85.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -68.3 | 141.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | F1142 G1177 L1178 F1181 R1187 A1633 | F1142-A1175 PolarHBondContact O-N 3.1Å; A1175-G1177 VanDerWaalsContact C-N 3.27Å; A1175-G1177 PolarHBondContact O-N 3.12Å; A1175-L1178 HydrophobicContact CB-CD2 4.38Å; A1175-F1181 VanDerWaalsContact CB-O 3.28Å; A1175-F1181 WeakPolarHBondContact CB-O 3.46Å; A1175-R1187 HydrophobicContact CB-CG 4.32Å; A1175-A1633 VanDerWaalsContact O-CB 3.27Å; A1175-A1633 WeakPolarHBondContact O-CB 3.44Å | ||
| 1176 | A | 94.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -64.3 | -36.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1181 W1189 D1192 Q1632 A1633 | A1176-F1181 HydrophobicContact CB-CB 4.04Å; A1176-F1181 HydrophobicContact CB-CD1 4.24Å; A1176-F1181 HydrophobicContact CB-CD2 4Å; A1176-F1181 HydrophobicContact CB-CG 3.84Å; A1176-W1189 HydrophobicContact CB-CB 4.29Å; A1176-D1192 HydrophobicContact CB-CB 3.79Å; A1176-D1192 WeakPolarHBondContact CB-OD2 3.17Å; A1176-Q1632 PolarHBondContact O-NE2 3.3Å; A1176-Q1632 PolarHBondContact O-OE1 3.3Å; A1176-A1633 WeakPolarHBondContact O-CB 3.34Å; A1176-A1633 PolarHBondContact O-N 2.75Å |
| 1177 | G | 95.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | 160.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1175 F1181 A1631 | A1175-G1177 VanDerWaalsContact C-N 3.27Å; A1175-G1177 PolarHBondContact O-N 3.12Å; G1177-F1181 CarbonylContact O-C 3.56Å; G1177-F1181 WeakPolarHBondContact O-CA 3.13Å; G1177-F1181 VanDerWaalsContact O-CB 3.3Å; G1177-F1181 WeakPolarHBondContact O-CB 3.36Å; G1177-F1181 PolarHBondContact O-N 3.43Å; G1177-A1631 CarbonylContact C-O 3.54Å; G1177-A1631 VanDerWaalsContact CA-O 3.27Å; G1177-A1631 WeakPolarHBondContact CA-O 3.28Å |
| 1178 | L | 95.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 140.5 | 175.7 | -54.2 | 175.1 | 0 | 0 | 0 | 110.6 | Y984 Q1141 F1142 A1175 A1182 W1611 C1629 E1630 A1631 | Y984-L1178 HydrophobicContact CE1-CD1 4.02Å; Q1141-L1178 HydrophobicContact CB-CD1 4.34Å; F1142-L1178 HydrophobicContact CD1-CG 4.41Å; A1175-L1178 HydrophobicContact CB-CD2 4.38Å; L1178-A1182 HydrophobicContact CD2-CB 3.88Å; L1178-W1611 HydrophobicContact CB-CE3 4.18Å; L1178-W1611 HydrophobicContact CB-CH2 4.21Å; L1178-W1611 HydrophobicContact CB-CZ3 3.53Å; L1178-W1611 HydrophobicContact CD1-CZ3 4.41Å; L1178-C1629 WeakPolarHBondContact O-CB 3.48Å; L1178-E1630 PolarHBondContact O-N 3.49Å; L1178-A1631 HydrophobicContact CB-CB 4.33Å; L1178-A1631 PolarHBondContact N-O 3.05Å |
| 1179 | P | 92.9 | Very high | 89.7 | Confident | 50 Ų | 50 | 24.8 Ų | 24.8 | 33% | 0.325 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -88.1 | -10.3 | 1.8 | 33.2 | -32.8 | 0 | 0 | 0 | 114.9 | F1181 A1182 W1611 | P1179-F1181 PolarHBondContact O-N 3.24Å; P1179-A1182 WeakPolarHBondContact O-CB 3.06Å; P1179-A1182 PolarHBondContact O-N 2.81Å; P1179-W1611 HydrophobicContact CB-CH2 3.99Å; P1179-W1611 HydrophobicContact CG-CH2 4.14Å; P1179-W1611 HydrophobicContact CG-CZ2 4.33Å |
| 1180 | H | 92.7 | Very high | 90.8 | Very high | 100 Ų | 100 | 24.1 Ų | 24.1 | 46% | 0.463 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -31.5 | -165.4 | -59.5 | -50.6 | 0 | 0 | 0 | 114.8 | C1629 | H1180-C1629 PolarHBondContact CD2-SG 3.42Š|
| 1181 | F | 94.2 | Very high | 91.7 | Very high | 30 Ų | 30 | 23.5 Ų | 23.5 | 13% | 0.132 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 27.1 | -178.8 | -47.3 | -89.1 | 0 | 0 | 0 | 111.8 | A1175 A1176 G1177 P1179 W1186 R1187 W1189 | A1175-F1181 VanDerWaalsContact CB-O 3.28Å; A1175-F1181 WeakPolarHBondContact CB-O 3.46Å; A1176-F1181 HydrophobicContact CB-CB 4.04Å; A1176-F1181 HydrophobicContact CB-CD1 4.24Å; A1176-F1181 HydrophobicContact CB-CD2 4Å; A1176-F1181 HydrophobicContact CB-CG 3.84Å; G1177-F1181 CarbonylContact O-C 3.56Å; G1177-F1181 WeakPolarHBondContact O-CA 3.13Å; G1177-F1181 VanDerWaalsContact O-CB 3.3Å; G1177-F1181 WeakPolarHBondContact O-CB 3.36Å; G1177-F1181 PolarHBondContact O-N 3.43Å; P1179-F1181 PolarHBondContact O-N 3.24Å; F1181-W1186 HydrophobicContact CD1-CB 4.32Å; F1181-W1186 WeakPolarHBondContact CD1-O 3.36Å; F1181-R1187 WeakPolarHBondContact O-CA 3.46Å; F1181-W1189 AromaticContact CD1-CE3 3.98Å; F1181-W1189 HydrophobicContact CD1-CE3 3.98Å; F1181-W1189 HydrophobicContact CD1-CZ3 4.31Å; F1181-W1189 AromaticContact CE1-CE3 3.82Å; F1181-W1189 HydrophobicContact CE1-CE3 3.82Å; F1181-W1189 AromaticContact CE1-CZ3 3.88Å; F1181-W1189 HydrophobicContact CE1-CZ3 3.88Å |
| 1182 | A | 93.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -67.7 | -37.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | C960 E963 L1178 P1179 R1187 | C960-A1182 WeakPolarHBondContact SG-CB 3.45Å; E963-A1182 HydrophobicContact CG-CB 3.81Å; L1178-A1182 HydrophobicContact CD2-CB 3.88Å; P1179-A1182 WeakPolarHBondContact O-CB 3.06Å; P1179-A1182 PolarHBondContact O-N 2.81Å; A1182-R1187 WeakPolarHBondContact O-CD 3.15Å; A1182-R1187 PolarHBondContact O-NH1 2.84Å |
| 1183 | E | 91.3 | Very high | 93.1 | Very high | 49 Ų | 49 | 22.2 Ų | 22.2 | 23% | 0.229 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -153 | 178.4 | -169.2 | 74.1 | 172.3 | 146.8 | 0 | 0 | 113.4 | S962 A966 I1146 N1148 | S962-E1183 WeakPolarHBondContact CA-OE1 3.03Å; S962-E1183 WeakPolarHBondContact CB-OE1 3.47Å; S962-E1183 PolarHBondContact OG-OE1 3.07Å; A966-E1183 HydrophobicContact CB-CB 4.25Å; A966-E1183 VanDerWaalsContact CB-OE2 3.28Å; A966-E1183 WeakPolarHBondContact CB-OE2 3.4Å; I1146-E1183 HydrophobicContact CG2-CB 4.12Å; N1148-E1183 PolarHBondContact ND2-OE2 3.34Å |
| 1184 | G | 88.8 | Confident | 93.4 | Very high | 14 Ų | 14 | 22.5 Ų | 22.5 | 14% | 0.144 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | 58.7 | -144.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1148 S1149 W1186 R1187 | N1148-G1184 PolarHBondContact OD1-N 2.67Å; N1148-G1184 VanDerWaalsContact OD1-N 3.17Å; S1149-G1184 PolarHBondContact OG-N 3.06Å; S1149-G1184 PolarHBondContact OG-O 2.82Å; G1184-W1186 PolarHBondContact O-N 3.04Å; G1184-R1187 PolarHBondContact O-N 2.83Å |
| 1185 | M | 88.9 | Confident | 93.6 | Very high | 51 Ų | 51 | 22.5 Ų | 22.5 | 25% | 0.251 | 11% | 0.107 | S | C | . | . | G | 310 helix | trans | -65.1 | -23.1 | -174.7 | 71.3 | -167.6 | -167.9 | 0 | 0 | 114.1 | L1229 D1232 V1236 | M1185-L1229 WeakPolarHBondContact O-CD1 3.24Å; M1185-D1232 HydrophobicContact CB-CB 4.25Å; M1185-V1236 HydrophobicContact CB-CB 4.16Å; M1185-V1236 HydrophobicContact CB-CG2 4.21Å; M1185-V1236 HydrophobicContact CG-CG2 4.33Å; M1185-V1236 HydrophobicContact SD-CB 4.35Å; M1185-V1236 HydrophobicContact SD-CG2 3.4Å; M1185-V1236 WeakPolarHBondContact SD-CG2 3.26Å |
| 1186 | W | 90.1 | Very high | 93.7 | Very high | 120 Ų | 120 | 22.5 Ų | 22.5 | 46% | 0.455 | 11% | 0.107 | S | C | . | . | G | 310 helix | trans | -88.5 | -13.7 | -174.5 | -58.1 | 123.2 | 0 | 0 | 0 | 114.2 | F1181 G1184 W1189 L1229 | F1181-W1186 HydrophobicContact CD1-CB 4.32Å; F1181-W1186 WeakPolarHBondContact CD1-O 3.36Å; G1184-W1186 PolarHBondContact O-N 3.04Å; W1186-W1189 HydrophobicContact CE3-CH2 4.16Å; W1186-W1189 AromaticContact CE3-CZ3 3.53Å; W1186-W1189 HydrophobicContact CE3-CZ3 3.53Å; W1186-W1189 HydrophobicContact CZ3-CH2 4.04Å; W1186-W1189 AromaticContact CZ3-CZ3 3.9Å; W1186-W1189 HydrophobicContact CZ3-CZ3 3.9Å; W1186-L1229 HydrophobicContact CE3-CD2 4.19Å; W1186-L1229 HydrophobicContact CZ3-CD2 4.14Å |
| 1187 | R | 92.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -63.5 | -48.9 | -169.7 | -177.1 | 172.9 | 176.9 | 91.5 | 3.6 | 114.1 | E963 F1142 G1144 I1146 S1173 A1175 F1181 A1182 G1184 W1189 | E963-R1187 IonicContact OE1-CZ 2.66Å; E963-R1187 IonicContact OE1-NH1 2.89Å; E963-R1187 PolarHBondContact OE1-NH1 3.25Å; F1142-R1187 PolarHBondContact O-NH2 2.69Å; G1144-R1187 PolarHBondContact O-NH2 3.32Å; I1146-R1187 VanDerWaalsContact CG1-NE 3.29Å; S1173-R1187 PolarHBondContact O-NH2 3.15Å; S1173-R1187 VanDerWaalsContact OG-CD 3.28Å; S1173-R1187 WeakPolarHBondContact OG-CD 3.49Å; S1173-R1187 PolarHBondContact OG-NE 2.6Å; A1175-R1187 HydrophobicContact CB-CG 4.32Å; F1181-R1187 WeakPolarHBondContact O-CA 3.46Å; A1182-R1187 WeakPolarHBondContact O-CD 3.15Å; A1182-R1187 PolarHBondContact O-NH1 2.84Å; G1184-R1187 PolarHBondContact O-N 2.83Å; R1187-W1189 PolarHBondContact O-N 3.02Å |
| 1188 | S | 92.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | trans | -97.3 | 80.7 | -168.2 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | Y1217 I1230 | S1188-Y1217 VanDerWaalsContact C-OH 3.31Å; S1188-Y1217 PolarHBondContact O-OH 3.34Å; S1188-I1230 PolarHBondContact O-N 3.45Å | ||
| 1189 | W | 93.4 | Very high | 93.8 | Very high | 35 Ų | 35 | 23.8 Ų | 23.8 | 13% | 0.133 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | -92.5 | 110.4 | 176.7 | -142.5 | -78.8 | 0 | 0 | 0 | 110.6 | A1176 F1181 W1186 R1187 R1191 D1192 T1193 N1228 L1229 | A1176-W1189 HydrophobicContact CB-CB 4.29Å; F1181-W1189 AromaticContact CD1-CE3 3.98Å; F1181-W1189 HydrophobicContact CD1-CE3 3.98Å; F1181-W1189 HydrophobicContact CD1-CZ3 4.31Å; F1181-W1189 AromaticContact CE1-CE3 3.82Å; F1181-W1189 HydrophobicContact CE1-CE3 3.82Å; F1181-W1189 AromaticContact CE1-CZ3 3.88Å; F1181-W1189 HydrophobicContact CE1-CZ3 3.88Å; W1186-W1189 HydrophobicContact CE3-CH2 4.16Å; W1186-W1189 AromaticContact CE3-CZ3 3.53Å; W1186-W1189 HydrophobicContact CE3-CZ3 3.53Å; W1186-W1189 HydrophobicContact CZ3-CH2 4.04Å; W1186-W1189 AromaticContact CZ3-CZ3 3.9Å; W1186-W1189 HydrophobicContact CZ3-CZ3 3.9Å; R1187-W1189 PolarHBondContact O-N 3.02Å; W1189-R1191 PolarHBondContact O-N 2.75Å; W1189-D1192 HydrophobicContact CB-CB 4.19Å; W1189-D1192 PolarHBondContact O-N 2.68Å; W1189-T1193 VanDerWaalsContact O-CB 3.24Å; W1189-T1193 WeakPolarHBondContact O-CB 3.48Å; W1189-T1193 PolarHBondContact O-N 3.34Å; W1189-T1193 PolarHBondContact O-OG1 3.03Å; W1189-N1228 CarbonylContact C-O 3.45Å; W1189-N1228 VanDerWaalsContact CA-O 3.28Å; W1189-N1228 WeakPolarHBondContact CA-O 3.34Å; W1189-N1228 PolarHBondContact NE1-ND2 3.31Å; W1189-N1228 PolarHBondContact NE1-OD1 3.19Å; W1189-L1229 HydrophobicContact CD2-CD1 4.2Å; W1189-L1229 HydrophobicContact CE3-CD1 3.66Å; W1189-L1229 HydrophobicContact CZ3-CD1 3.95Å |
| 1190 | G | 92.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.6 | -49.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1193 F1194 Y1217 N1228 | G1190-T1193 WeakPolarHBondContact O-CB 3.29Å; G1190-T1193 PolarHBondContact O-N 2.91Å; G1190-F1194 WeakPolarHBondContact O-CD2 3.38Å; G1190-F1194 PolarHBondContact O-N 3.18Å; G1190-Y1217 WeakPolarHBondContact CA-OH 3.17Å; G1190-Y1217 PolarHBondContact N-OH 3.27Å; G1190-N1228 PolarHBondContact N-O 3.23Å |
| 1191 | R | 94.7 | Very high | 94 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.011 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.5 | -53 | 178.5 | 176.4 | 173.9 | 63.8 | -139.9 | -4.1 | 112.6 | W1189 T1193 F1194 I1195 D1244 A1245 Y1248 T1368 D1371 | W1189-R1191 PolarHBondContact O-N 2.75Å; R1191-T1193 VanDerWaalsContact C-N 3.25Å; R1191-T1193 PolarHBondContact O-N 3.22Å; R1191-F1194 PolarHBondContact O-N 3.39Å; R1191-F1194 VanDerWaalsContact O-N 3.11Å; R1191-I1195 HydrophobicContact CG-CD1 3.88Å; R1191-I1195 WeakPolarHBondContact O-CG1 3.45Å; R1191-I1195 PolarHBondContact O-N 3.25Å; R1191-D1244 VanDerWaalsContact CD-CG 3.47Å; R1191-D1244 WeakPolarHBondContact CD-OD2 3.36Å; R1191-D1244 IonicContact NE-OD2 3.19Å; R1191-D1244 IonicContact NH1-OD1 3.41Å; R1191-D1244 PolarHBondContact NH1-OD1 3.49Å; R1191-D1244 IonicContact NH1-OD2 2.67Å; R1191-A1245 HydrophobicContact CB-CB 4.08Å; R1191-Y1248 HydrophobicContact CG-CD2 4.15Å; R1191-Y1248 HydrophobicContact CG-CE2 4.32Å; R1191-T1368 VanDerWaalsContact NH1-C 3.35Å; R1191-T1368 PolarHBondContact NH1-O 2.74Å; R1191-T1368 VanDerWaalsContact NH1-O 3.12Å; R1191-D1371 IonicContact CZ-OD2 3.74Å; R1191-D1371 IonicContact NH1-OD2 2.67Å; R1191-D1371 IonicContact NH2-OD1 2.92Å; R1191-D1371 IonicContact NH2-OD2 3.78Å; R1191-D1371 PolarHBondContact NH2-OD2 3.45Å |
| 1192 | D | 96.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.027 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.1 | -38.1 | -177.2 | -55 | 20.9 | 0 | 0 | 0 | 110.5 | A1176 W1189 I1195 S1196 W1634 | A1176-D1192 HydrophobicContact CB-CB 3.79Å; A1176-D1192 WeakPolarHBondContact CB-OD2 3.17Å; W1189-D1192 HydrophobicContact CB-CB 4.19Å; W1189-D1192 PolarHBondContact O-N 2.68Å; D1192-I1195 PolarHBondContact O-N 2.83Å; D1192-S1196 WeakPolarHBondContact O-CB 3.3Å; D1192-S1196 PolarHBondContact O-N 3.36Å; D1192-S1196 VanDerWaalsContact O-N 3.07Å; D1192-S1196 PolarHBondContact O-OG 2.89Å; D1192-W1634 HydrophobicContact CB-CD2 4.5Å; D1192-W1634 HydrophobicContact CB-CE3 4.45Å |
| 1193 | T | 96 | Very high | 93.8 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.012 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -55.8 | -54.5 | 171.7 | -64.5 | 0 | 0 | 0 | 0 | 110.5 | L1174 W1189 G1190 R1191 I1195 S1196 V1197 I1213 Y1217 | L1174-T1193 HydrophobicContact CB-CG2 4.43Å; L1174-T1193 HydrophobicContact CD2-CG2 4.32Å; W1189-T1193 VanDerWaalsContact O-CB 3.24Å; W1189-T1193 WeakPolarHBondContact O-CB 3.48Å; W1189-T1193 PolarHBondContact O-N 3.34Å; W1189-T1193 PolarHBondContact O-OG1 3.03Å; G1190-T1193 WeakPolarHBondContact O-CB 3.29Å; G1190-T1193 PolarHBondContact O-N 2.91Å; R1191-T1193 VanDerWaalsContact C-N 3.25Å; R1191-T1193 PolarHBondContact O-N 3.22Å; T1193-I1195 PolarHBondContact O-N 3.36Å; T1193-S1196 WeakPolarHBondContact O-CA 3.26Å; T1193-S1196 WeakPolarHBondContact O-CB 3.21Å; T1193-S1196 PolarHBondContact O-N 3.41Å; T1193-V1197 HydrophobicContact CG2-CG2 4.2Å; T1193-V1197 VanDerWaalsContact O-CG2 3.29Å; T1193-V1197 WeakPolarHBondContact O-CG2 3.34Å; T1193-V1197 PolarHBondContact O-N 3.05Å; T1193-I1213 HydrophobicContact CG2-CD1 4.29Å; T1193-I1213 HydrophobicContact CG2-CG2 3.48Å; T1193-I1213 VanDerWaalsContact CG2-CG2 3.48Å; T1193-Y1217 HydrophobicContact CG2-CE2 4.3Å |
| 1194 | F | 97.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 13 Ų | 13 | 3% | 0.026 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -73.8 | -23.7 | -175.3 | -66.9 | -56.6 | 0 | 0 | 0 | 114.4 | G1190 R1191 S1196 V1197 I1213 I1214 Y1217 I1226 W1249 S1252 | G1190-F1194 WeakPolarHBondContact O-CD2 3.38Å; G1190-F1194 PolarHBondContact O-N 3.18Å; R1191-F1194 PolarHBondContact O-N 3.39Å; R1191-F1194 VanDerWaalsContact O-N 3.11Å; F1194-S1196 VanDerWaalsContact C-N 3.29Å; F1194-V1197 HydrophobicContact CD1-CG2 4.2Å; F1194-I1213 HydrophobicContact CE1-CG2 3.91Å; F1194-I1213 HydrophobicContact CZ-CG2 4.13Å; F1194-I1214 HydrophobicContact CE1-CG1 4.2Å; F1194-Y1217 AromaticContact CE2-CD1 3.81Å; F1194-Y1217 HydrophobicContact CE2-CD1 3.81Å; F1194-Y1217 HydrophobicContact CE2-CD2 4.11Å; F1194-Y1217 HydrophobicContact CE2-CE1 4.24Å; F1194-Y1217 AromaticContact CE2-CG 3.71Å; F1194-Y1217 HydrophobicContact CE2-CG 3.71Å; F1194-Y1217 HydrophobicContact CZ-CD1 4.11Å; F1194-Y1217 AromaticContact CZ-CD2 3.63Å; F1194-Y1217 HydrophobicContact CZ-CD2 3.63Å; F1194-Y1217 HydrophobicContact CZ-CE2 4.28Å; F1194-Y1217 AromaticContact CZ-CG 3.51Å; F1194-Y1217 HydrophobicContact CZ-CG 3.51Å; F1194-I1226 HydrophobicContact CE2-CG2 4.03Å; F1194-W1249 HydrophobicContact CD1-CB 4.35Å; F1194-W1249 HydrophobicContact CD2-CB 3.68Å; F1194-W1249 HydrophobicContact CD2-CG 4.47Å; F1194-W1249 HydrophobicContact CE1-CB 4.43Å; F1194-W1249 AromaticContact CE1-CD1 3.6Å; F1194-W1249 HydrophobicContact CE1-CG 4.41Å; F1194-W1249 HydrophobicContact CE2-CB 3.79Å; F1194-W1249 AromaticContact CE2-CD1 3.81Å; F1194-W1249 HydrophobicContact CE2-CG 4.14Å; F1194-W1249 HydrophobicContact CG-CB 4.04Å; F1194-W1249 HydrophobicContact CZ-CB 4.2Å; F1194-W1249 AromaticContact CZ-CD1 3.38Å; F1194-W1249 HydrophobicContact CZ-CG 4.14Å; F1194-S1252 PolarHBondContact O-OG 3.36Å |
| 1195 | I | 97.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.6 | -36 | 166.5 | -66.6 | 167.6 | 0 | 0 | 0 | 110.3 | R1191 D1192 T1193 Y1248 W1560 W1634 | R1191-I1195 HydrophobicContact CG-CD1 3.88Å; R1191-I1195 WeakPolarHBondContact O-CG1 3.45Å; R1191-I1195 PolarHBondContact O-N 3.25Å; D1192-I1195 PolarHBondContact O-N 2.83Å; T1193-I1195 PolarHBondContact O-N 3.36Å; I1195-Y1248 HydrophobicContact CD1-CE1 4.09Å; I1195-Y1248 HydrophobicContact CD1-CE2 4.06Å; I1195-Y1248 HydrophobicContact CG1-CD1 3.63Å; I1195-Y1248 HydrophobicContact CG1-CD2 4.3Å; I1195-Y1248 HydrophobicContact CG1-CE1 3.48Å; I1195-Y1248 VanDerWaalsContact CG1-CE1 3.48Å; I1195-Y1248 HydrophobicContact CG1-CE2 4.18Å; I1195-Y1248 HydrophobicContact CG1-CG 4.04Å; I1195-W1560 HydrophobicContact CD1-CH2 4.11Å; I1195-W1560 HydrophobicContact CD1-CZ2 4.39Å; I1195-W1560 HydrophobicContact CD1-CZ3 4.32Å; I1195-W1560 HydrophobicContact CG2-CD2 4.4Å; I1195-W1560 HydrophobicContact CG2-CE3 3.82Å; I1195-W1560 HydrophobicContact CG2-CZ3 4.07Å; I1195-W1634 HydrophobicContact CB-CB 4.24Å; I1195-W1634 HydrophobicContact CB-CE3 4.33Å; I1195-W1634 HydrophobicContact CD1-CE3 3.6Å; I1195-W1634 HydrophobicContact CD1-CZ3 3.85Å; I1195-W1634 HydrophobicContact CG2-CB 3.67Å; I1195-W1634 HydrophobicContact CG2-CE3 4.2Å |
| 1196 | S | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -83.3 | -27.4 | -175.5 | -54.5 | 0 | 0 | 0 | 0 | 114.4 | D1192 T1193 F1194 R1198 G1199 C1200 A1633 W1634 | D1192-S1196 WeakPolarHBondContact O-CB 3.3Å; D1192-S1196 PolarHBondContact O-N 3.36Å; D1192-S1196 VanDerWaalsContact O-N 3.07Å; D1192-S1196 PolarHBondContact O-OG 2.89Å; T1193-S1196 WeakPolarHBondContact O-CA 3.26Å; T1193-S1196 WeakPolarHBondContact O-CB 3.21Å; T1193-S1196 PolarHBondContact O-N 3.41Å; F1194-S1196 VanDerWaalsContact C-N 3.29Å; S1196-R1198 VanDerWaalsContact C-N 3.32Å; S1196-R1198 PolarHBondContact O-N 3.21Å; S1196-G1199 PolarHBondContact O-N 3.29Å; S1196-C1200 VanDerWaalsContact O-CB 3.32Å; S1196-C1200 WeakPolarHBondContact O-CB 3.43Å; S1196-C1200 PolarHBondContact O-N 2.84Å; S1196-A1633 VanDerWaalsContact OG-C 3.31Å; S1196-W1634 WeakPolarHBondContact OG-CA 3.47Å; S1196-W1634 WeakPolarHBondContact OG-CB 3.29Å; S1196-W1634 PolarHBondContact OG-N 3.01Å |
| 1197 | V | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -53.6 | -42.6 | -169.2 | 159.1 | 0 | 0 | 0 | 0 | 113.3 | T1193 F1194 L1201 L1202 A1210 | T1193-V1197 HydrophobicContact CG2-CG2 4.2Å; T1193-V1197 VanDerWaalsContact O-CG2 3.29Å; T1193-V1197 WeakPolarHBondContact O-CG2 3.34Å; T1193-V1197 PolarHBondContact O-N 3.05Å; F1194-V1197 HydrophobicContact CD1-CG2 4.2Å; V1197-L1201 HydrophobicContact CG2-CD1 4.32Å; V1197-L1201 WeakPolarHBondContact O-CA 3.33Å; V1197-L1201 WeakPolarHBondContact O-CB 3.48Å; V1197-L1201 PolarHBondContact O-N 2.96Å; V1197-L1202 HydrophobicContact CG1-CD1 4.21Å; V1197-L1202 HydrophobicContact CG1-CG 4.13Å; V1197-L1202 PolarHBondContact O-N 3.12Å; V1197-A1210 HydrophobicContact CG1-CB 4.11Å |
| 1198 | R | 95.1 | Very high | 92.9 | Very high | 28 Ų | 28 | 10.3 Ų | 10.3 | 11% | 0.106 | 5% | 0.051 | C | C | . | . | I | π-helix | trans | -64.2 | -52.8 | -178.1 | 175.2 | 175.5 | -175.6 | -86.6 | -2.9 | 111.3 | S1196 L1202 L1203 I1255 F1259 R1567 E1641 | S1196-R1198 VanDerWaalsContact C-N 3.32Å; S1196-R1198 PolarHBondContact O-N 3.21Å; R1198-L1202 HydrophobicContact CB-CD1 4.47Å; R1198-L1202 PolarHBondContact O-N 3.29Å; R1198-L1203 WeakPolarHBondContact O-CB 3.02Å; R1198-L1203 PolarHBondContact O-N 3.48Å; R1198-I1255 HydrophobicContact CB-CD1 4.31Å; R1198-I1255 HydrophobicContact CB-CG2 4.31Å; R1198-I1255 HydrophobicContact CG-CG2 4Å; R1198-F1259 HydrophobicContact CG-CE2 4.29Å; R1198-R1567 VanDerWaalsContact NH1-CZ 3.34Å; R1198-R1567 VanDerWaalsContact NH1-NH2 3.12Å; R1198-E1641 WeakPolarHBondContact CB-OE1 3.27Å; R1198-E1641 VanDerWaalsContact CD-OE2 3.22Å; R1198-E1641 WeakPolarHBondContact CD-OE2 3.32Å; R1198-E1641 HydrophobicContact CG-CG 4.09Å; R1198-E1641 IonicContact CZ-OE2 3.14Å; R1198-E1641 IonicContact NE-OE2 3.73Å; R1198-E1641 VanDerWaalsContact NH1-CB 3.25Å; R1198-E1641 VanDerWaalsContact NH1-CD 3.29Å; R1198-E1641 IonicContact NH1-OE2 2.73Å; R1198-E1641 PolarHBondContact NH1-OE2 2.82Å |
| 1199 | G | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -66.1 | -53.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1196 L1640 E1641 | S1196-G1199 PolarHBondContact O-N 3.29Å; G1199-L1640 WeakPolarHBondContact O-CD2 3.25Å; G1199-E1641 PolarHBondContact N-OE1 2.93Å |
| 1200 | C | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | I | π-helix | trans | -72.2 | -33.2 | -171.9 | -67.5 | 0 | 0 | 0 | 0 | 114 | T1139 S1196 T1204 A1633 | T1139-C1200 HydrophobicContact CG2-CB 4.31Å; S1196-C1200 VanDerWaalsContact O-CB 3.32Å; S1196-C1200 WeakPolarHBondContact O-CB 3.43Å; S1196-C1200 PolarHBondContact O-N 2.84Å; C1200-T1204 WeakPolarHBondContact O-CG2 3.49Å; C1200-T1204 PolarHBondContact O-OG1 3.03Å; C1200-A1633 PolarHBondContact SG-O 3.4Å |
| 1201 | L | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | I | π-helix | trans | -119.9 | -48.6 | -171.1 | -54.4 | 178.6 | 0 | 0 | 0 | 113.3 | Y1143 V1197 T1204 G1205 R1206 D1209 A1210 I1213 | Y1143-L1201 HydrophobicContact CD2-CD2 4.35Å; V1197-L1201 HydrophobicContact CG2-CD1 4.32Å; V1197-L1201 WeakPolarHBondContact O-CA 3.33Å; V1197-L1201 WeakPolarHBondContact O-CB 3.48Å; V1197-L1201 PolarHBondContact O-N 2.96Å; L1201-T1204 WeakPolarHBondContact CA-OG1 3.37Å; L1201-T1204 PolarHBondContact O-OG1 3.05Å; L1201-G1205 PolarHBondContact O-N 2.74Å; L1201-R1206 HydrophobicContact CB-CB 4.25Å; L1201-R1206 HydrophobicContact CD2-CB 4.18Å; L1201-R1206 WeakPolarHBondContact O-CA 3.42Å; L1201-R1206 WeakPolarHBondContact O-CB 3.39Å; L1201-R1206 PolarHBondContact O-N 3.26Å; L1201-D1209 HydrophobicContact CD1-CB 4.29Å; L1201-D1209 HydrophobicContact CD2-CB 4.17Å; L1201-A1210 HydrophobicContact CB-CB 3.98Å; L1201-A1210 HydrophobicContact CD1-CB 4.18Å; L1201-I1213 HydrophobicContact CD1-CD1 3.68Å |
| 1202 | L | 92.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | I | π-helix | trans | -73.7 | -48.9 | -173.9 | -58.1 | -179.9 | 0 | 0 | 0 | 112.8 | V1197 R1198 T1204 G1205 Y1207 A1210 I1255 Y1256 F1259 | V1197-L1202 HydrophobicContact CG1-CD1 4.21Å; V1197-L1202 HydrophobicContact CG1-CG 4.13Å; V1197-L1202 PolarHBondContact O-N 3.12Å; R1198-L1202 HydrophobicContact CB-CD1 4.47Å; R1198-L1202 PolarHBondContact O-N 3.29Å; L1202-T1204 PolarHBondContact O-N 3.31Å; L1202-G1205 PolarHBondContact O-N 2.66Å; L1202-G1205 VanDerWaalsContact O-N 3.09Å; L1202-Y1207 HydrophobicContact CD2-CD1 3.93Å; L1202-Y1207 HydrophobicContact CD2-CE1 4.48Å; L1202-Y1207 WeakPolarHBondContact O-CE1 3.34Å; L1202-A1210 HydrophobicContact CD2-CB 3.54Å; L1202-A1210 HydrophobicContact CG-CB 4.36Å; L1202-I1255 HydrophobicContact CD1-CB 4.26Å; L1202-I1255 HydrophobicContact CD1-CG2 3.56Å; L1202-Y1256 HydrophobicContact CD2-CD2 3.7Å; L1202-Y1256 HydrophobicContact CD2-CE2 4.28Å; L1202-F1259 HydrophobicContact CB-CD1 4.41Å; L1202-F1259 HydrophobicContact CB-CD2 4.27Å; L1202-F1259 HydrophobicContact CB-CE1 4.44Å; L1202-F1259 HydrophobicContact CB-CE2 4.29Å; L1202-F1259 HydrophobicContact CB-CG 4.32Å; L1202-F1259 HydrophobicContact CB-CZ 4.38Å; L1202-F1259 HydrophobicContact CD1-CD2 4.25Å |
| 1203 | L | 91.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -28.2 | 177.7 | -81.1 | -179.3 | 0 | 0 | 0 | 112.5 | S1122 W1124 R1198 G1205 F1259 E1641 Y1644 | S1122-L1203 WeakPolarHBondContact CB-O 3.43Å; S1122-L1203 PolarHBondContact OG-O 3.01Å; W1124-L1203 HydrophobicContact CZ2-CB 4.12Å; W1124-L1203 HydrophobicContact CZ2-CD2 4.41Å; W1124-L1203 PolarHBondContact NE1-O 3.05Å; R1198-L1203 WeakPolarHBondContact O-CB 3.02Å; R1198-L1203 PolarHBondContact O-N 3.48Å; L1203-G1205 VanDerWaalsContact C-N 3.32Å; L1203-F1259 HydrophobicContact CD2-CE1 3.82Å; L1203-F1259 HydrophobicContact CD2-CZ 3.56Å; L1203-F1259 HydrophobicContact CG-CE1 4.43Å; L1203-F1259 HydrophobicContact CG-CZ 3.98Å; L1203-E1641 HydrophobicContact CD1-CB 4.19Å; L1203-E1641 HydrophobicContact CD1-CG 3.64Å; L1203-Y1644 HydrophobicContact CD1-CG 4.3Å; L1203-Y1644 HydrophobicContact CD2-CD1 3.9Å; L1203-Y1644 HydrophobicContact CD2-CD2 3.74Å; L1203-Y1644 HydrophobicContact CD2-CE1 4.15Å; L1203-Y1644 HydrophobicContact CD2-CE2 4Å; L1203-Y1644 HydrophobicContact CD2-CG 3.67Å |
| 1204 | T | 90.3 | Very high | 92 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -12.3 | 176.1 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | F1121 S1122 I1125 T1139 C1200 L1201 L1202 R1206 L1640 | F1121-T1204 VanDerWaalsContact CA-O 3.27Å; F1121-T1204 WeakPolarHBondContact CA-O 3.32Å; F1121-T1204 HydrophobicContact CD1-CG2 4.35Å; F1121-T1204 HydrophobicContact CE1-CG2 4.19Å; S1122-T1204 PolarHBondContact N-O 3.37Å; I1125-T1204 HydrophobicContact CD1-CG2 3.97Å; T1139-T1204 HydrophobicContact CG2-CG2 4.22Å; C1200-T1204 WeakPolarHBondContact O-CG2 3.49Å; C1200-T1204 PolarHBondContact O-OG1 3.03Å; L1201-T1204 WeakPolarHBondContact CA-OG1 3.37Å; L1201-T1204 PolarHBondContact O-OG1 3.05Å; L1202-T1204 PolarHBondContact O-N 3.31Å; T1204-R1206 WeakPolarHBondContact OG1-CD 3.25Å; T1204-L1640 HydrophobicContact CG2-CD2 4.01Å |
| 1205 | G | 86.2 | Confident | 91.8 | Very high | 27 Ų | 27 | 10.9 Ų | 10.9 | 28% | 0.278 | 6% | 0.057 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 11.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1201 L1202 L1203 Y1207 | L1201-G1205 PolarHBondContact O-N 2.74Å; L1202-G1205 PolarHBondContact O-N 2.66Å; L1202-G1205 VanDerWaalsContact O-N 3.09Å; L1203-G1205 VanDerWaalsContact C-N 3.32Å; G1205-Y1207 VanDerWaalsContact C-N 3.27Å; G1205-Y1207 WeakPolarHBondContact O-CD2 3.45Å; G1205-Y1207 PolarHBondContact O-N 3.35Å; G1205-Y1207 VanDerWaalsContact O-N 3.16Å |
| 1206 | R | 87.3 | Confident | 91.5 | Very high | 13 Ų | 13 | 10.8 Ų | 10.8 | 5% | 0.049 | 6% | 0.057 | C | C | . | . | trans | -90 | 56.5 | -178.7 | -57.2 | 174.5 | 62.5 | 179.6 | 1.8 | 111.2 | L950 Y1143 L1201 T1204 Q1208 D1209 A1210 | L950-R1206 HydrophobicContact CD1-CG 4.06Å; Y1143-R1206 VanDerWaalsContact CG-NH2 3.29Å; L1201-R1206 HydrophobicContact CB-CB 4.25Å; L1201-R1206 HydrophobicContact CD2-CB 4.18Å; L1201-R1206 WeakPolarHBondContact O-CA 3.42Å; L1201-R1206 WeakPolarHBondContact O-CB 3.39Å; L1201-R1206 PolarHBondContact O-N 3.26Å; T1204-R1206 WeakPolarHBondContact OG1-CD 3.25Å; R1206-Q1208 VanDerWaalsContact C-N 3.34Å; R1206-Q1208 PolarHBondContact O-N 3.29Å; R1206-D1209 HydrophobicContact CB-CB 4.27Å; R1206-D1209 IonicContact CZ-OD2 2.92Å; R1206-D1209 IonicContact NE-OD2 3.87Å; R1206-D1209 PolarHBondContact NE-OD2 2.83Å; R1206-D1209 IonicContact NH2-OD2 2.83Å; R1206-D1209 PolarHBondContact NH2-OD2 3.41Å; R1206-D1209 PolarHBondContact O-N 2.95Å; R1206-A1210 PolarHBondContact O-N 3.06Å; R1206-A1210 VanDerWaalsContact O-N 3.16Å | ||
| 1207 | Y | 86.3 | Confident | 91.4 | Very high | 45 Ų | 45 | 10.9 Ų | 10.9 | 18% | 0.176 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.8 | -38.1 | -174.5 | -52 | -65 | 0 | 0 | 0 | 112.6 | L1202 G1205 D1209 A1210 A1211 Y1256 F1259 C1266 | L1202-Y1207 HydrophobicContact CD2-CD1 3.93Å; L1202-Y1207 HydrophobicContact CD2-CE1 4.48Å; L1202-Y1207 WeakPolarHBondContact O-CE1 3.34Å; G1205-Y1207 VanDerWaalsContact C-N 3.27Å; G1205-Y1207 WeakPolarHBondContact O-CD2 3.45Å; G1205-Y1207 PolarHBondContact O-N 3.35Å; G1205-Y1207 VanDerWaalsContact O-N 3.16Å; Y1207-D1209 PolarHBondContact O-N 3.21Å; Y1207-A1210 PolarHBondContact O-N 2.88Å; Y1207-A1211 WeakPolarHBondContact O-CB 3.5Å; Y1207-A1211 PolarHBondContact O-N 3.04Å; Y1207-Y1256 WeakPolarHBondContact O-CE2 3.47Å; Y1207-F1259 HydrophobicContact CE1-CB 4.26Å; Y1207-F1259 HydrophobicContact CE1-CD1 4.21Å; Y1207-C1266 WeakPolarHBondContact CD2-SG 3.26Å; Y1207-C1266 VanDerWaalsContact CE2-SG 3.52Å |
| 1208 | Q | 83.5 | Confident | 91.3 | Very high | 45 Ų | 45 | 10.9 Ų | 10.9 | 21% | 0.21 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 178.4 | -171 | 56.6 | 64.3 | 0 | 0 | 111.9 | R1206 A1211 N1212 | R1206-Q1208 VanDerWaalsContact C-N 3.34Å; R1206-Q1208 PolarHBondContact O-N 3.29Å; Q1208-A1211 PolarHBondContact O-N 3.39Å; Q1208-N1212 PolarHBondContact NE2-OD1 3.2Å; Q1208-N1212 WeakPolarHBondContact O-CB 3.42Å; Q1208-N1212 PolarHBondContact O-N 3.44Å; Q1208-N1212 PolarHBondContact O-ND2 2.99Å; Q1208-N1212 PolarHBondContact O-OD1 3.42Å |
| 1209 | D | 88 | Confident | 91.3 | Very high | 34 Ų | 34 | 9.7 Ų | 9.7 | 18% | 0.182 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 177.1 | -62.8 | -21.5 | 0 | 0 | 0 | 111.1 | Y1143 L1201 R1206 Y1207 N1212 I1213 | Y1143-D1209 HydrophobicContact CE1-CB 4.19Å; Y1143-D1209 HydrophobicContact CE2-CB 3.94Å; Y1143-D1209 PolarHBondContact OH-OD1 2.96Å; L1201-D1209 HydrophobicContact CD1-CB 4.29Å; L1201-D1209 HydrophobicContact CD2-CB 4.17Å; R1206-D1209 HydrophobicContact CB-CB 4.27Å; R1206-D1209 IonicContact CZ-OD2 2.92Å; R1206-D1209 IonicContact NE-OD2 3.87Å; R1206-D1209 PolarHBondContact NE-OD2 2.83Å; R1206-D1209 IonicContact NH2-OD2 2.83Å; R1206-D1209 PolarHBondContact NH2-OD2 3.41Å; R1206-D1209 PolarHBondContact O-N 2.95Å; Y1207-D1209 PolarHBondContact O-N 3.21Å; D1209-N1212 PolarHBondContact O-N 3.13Å; D1209-I1213 WeakPolarHBondContact O-CG1 3.22Å; D1209-I1213 PolarHBondContact O-N 3.02Å; D1209-I1213 VanDerWaalsContact O-N 3.1Å |
| 1210 | A | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1197 L1201 L1202 R1206 Y1207 I1213 I1214 Y1256 | V1197-A1210 HydrophobicContact CG1-CB 4.11Å; L1201-A1210 HydrophobicContact CB-CB 3.98Å; L1201-A1210 HydrophobicContact CD1-CB 4.18Å; L1202-A1210 HydrophobicContact CD2-CB 3.54Å; L1202-A1210 HydrophobicContact CG-CB 4.36Å; R1206-A1210 PolarHBondContact O-N 3.06Å; R1206-A1210 VanDerWaalsContact O-N 3.16Å; Y1207-A1210 PolarHBondContact O-N 2.88Å; A1210-I1213 PolarHBondContact O-N 3.37Å; A1210-I1214 WeakPolarHBondContact O-CB 3.39Å; A1210-I1214 VanDerWaalsContact O-CG1 3.25Å; A1210-I1214 WeakPolarHBondContact O-CG1 3.25Å; A1210-I1214 PolarHBondContact O-N 3.48Å; A1210-Y1256 HydrophobicContact CB-CD2 4.23Å; A1210-Y1256 HydrophobicContact CB-CE2 4.33Å |
| 1211 | A | 89.9 | Confident | 91.2 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1207 Q1208 I1213 I1214 L1215 Y1256 L1268 I1276 | Y1207-A1211 WeakPolarHBondContact O-CB 3.5Å; Y1207-A1211 PolarHBondContact O-N 3.04Å; Q1208-A1211 PolarHBondContact O-N 3.39Å; A1211-I1213 VanDerWaalsContact C-N 3.34Å; A1211-I1213 PolarHBondContact O-N 3.19Å; A1211-I1214 PolarHBondContact O-N 3Å; A1211-L1215 WeakPolarHBondContact O-CB 3.29Å; A1211-L1215 VanDerWaalsContact O-CG 3.25Å; A1211-L1215 WeakPolarHBondContact O-CG 3.28Å; A1211-L1215 PolarHBondContact O-N 3.2Å; A1211-Y1256 HydrophobicContact CB-CE2 3.94Å; A1211-L1268 HydrophobicContact CB-CD2 3.47Å; A1211-L1268 VanDerWaalsContact CB-CD2 3.47Å; A1211-I1276 HydrophobicContact CB-CD1 3.65Å |
| 1212 | N | 88.5 | Confident | 91.2 | Very high | 20 Ų | 20 | 10.3 Ų | 10.3 | 11% | 0.107 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 177 | -71.3 | -10.8 | 0 | 0 | 0 | 111.3 | R1154 M1170 Q1208 D1209 S1216 | R1154-N1212 PolarHBondContact NH1-OD1 3.15Å; M1170-N1212 HydrophobicContact SD-CB 4.14Å; Q1208-N1212 PolarHBondContact NE2-OD1 3.2Å; Q1208-N1212 WeakPolarHBondContact O-CB 3.42Å; Q1208-N1212 PolarHBondContact O-N 3.44Å; Q1208-N1212 PolarHBondContact O-ND2 2.99Å; Q1208-N1212 PolarHBondContact O-OD1 3.42Å; D1209-N1212 PolarHBondContact O-N 3.13Å; N1212-S1216 VanDerWaalsContact O-CB 3.25Å; N1212-S1216 WeakPolarHBondContact O-CB 3.48Å; N1212-S1216 PolarHBondContact O-N 3.41Å; N1212-S1216 PolarHBondContact O-OG 3.42Å |
| 1213 | I | 93 | Very high | 91.3 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.9 | -51.3 | 175.2 | -70.5 | 177 | 0 | 0 | 0 | 110.8 | Y1143 L1151 L1174 T1193 F1194 L1201 D1209 A1210 A1211 L1215 S1216 Y1217 | Y1143-I1213 HydrophobicContact CD2-CD1 4.14Å; Y1143-I1213 HydrophobicContact CE2-CD1 3.84Å; Y1143-I1213 HydrophobicContact CE2-CG1 4.26Å; L1151-I1213 HydrophobicContact CD1-CG1 4.28Å; L1174-I1213 HydrophobicContact CB-CD1 3.94Å; T1193-I1213 HydrophobicContact CG2-CD1 4.29Å; T1193-I1213 HydrophobicContact CG2-CG2 3.48Å; T1193-I1213 VanDerWaalsContact CG2-CG2 3.48Å; F1194-I1213 HydrophobicContact CE1-CG2 3.91Å; F1194-I1213 HydrophobicContact CZ-CG2 4.13Å; L1201-I1213 HydrophobicContact CD1-CD1 3.68Å; D1209-I1213 WeakPolarHBondContact O-CG1 3.22Å; D1209-I1213 PolarHBondContact O-N 3.02Å; D1209-I1213 VanDerWaalsContact O-N 3.1Å; A1210-I1213 PolarHBondContact O-N 3.37Å; A1211-I1213 VanDerWaalsContact C-N 3.34Å; A1211-I1213 PolarHBondContact O-N 3.19Å; I1213-L1215 VanDerWaalsContact C-N 3.32Å; I1213-L1215 PolarHBondContact O-N 2.71Å; I1213-S1216 PolarHBondContact O-N 3.44Å; I1213-Y1217 HydrophobicContact CG2-CD2 3.9Å; I1213-Y1217 HydrophobicContact CG2-CE2 4.06Å; I1213-Y1217 WeakPolarHBondContact O-CD2 3.25Å; I1213-Y1217 PolarHBondContact O-N 2.91Å |
| 1214 | I | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -55.5 | -48.2 | -177.6 | -74.1 | 167.1 | 0 | 0 | 0 | 111 | F1194 A1210 A1211 A1218 W1249 I1253 Y1256 I1276 L1310 | F1194-I1214 HydrophobicContact CE1-CG1 4.2Å; A1210-I1214 WeakPolarHBondContact O-CB 3.39Å; A1210-I1214 VanDerWaalsContact O-CG1 3.25Å; A1210-I1214 WeakPolarHBondContact O-CG1 3.25Å; A1210-I1214 PolarHBondContact O-N 3.48Å; A1211-I1214 PolarHBondContact O-N 3Å; I1214-A1218 VanDerWaalsContact O-CB 3.32Å; I1214-A1218 WeakPolarHBondContact O-CB 3.46Å; I1214-A1218 PolarHBondContact O-N 2.94Å; I1214-W1249 PolarHBondContact O-NE1 2.62Å; I1214-W1249 VanDerWaalsContact O-NE1 3.09Å; I1214-I1253 HydrophobicContact CG2-CD1 4.1Å; I1214-I1253 HydrophobicContact CG2-CG1 3.61Å; I1214-Y1256 HydrophobicContact CD1-CD2 4.07Å; I1214-Y1256 HydrophobicContact CD1-CG 4.31Å; I1214-I1276 HydrophobicContact CB-CD1 4.22Å; I1214-I1276 HydrophobicContact CD1-CD1 4.27Å; I1214-I1276 HydrophobicContact CG2-CD1 3.95Å; I1214-L1310 HydrophobicContact CG2-CD2 4.12Å |
| 1215 | L | 92.9 | Very high | 91.8 | Very high | 10 Ų | 10 | 10.5 Ų | 10.5 | 5% | 0.052 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -71.2 | -36.4 | -178.2 | -65.2 | 170.4 | 0 | 0 | 0 | 112.2 | R1154 A1211 I1213 A1218 S1219 I1276 C1279 V1281 L1310 | R1154-L1215 HydrophobicContact CG-CD1 4.33Å; A1211-L1215 WeakPolarHBondContact O-CB 3.29Å; A1211-L1215 VanDerWaalsContact O-CG 3.25Å; A1211-L1215 WeakPolarHBondContact O-CG 3.28Å; A1211-L1215 PolarHBondContact O-N 3.2Å; I1213-L1215 VanDerWaalsContact C-N 3.32Å; I1213-L1215 PolarHBondContact O-N 2.71Å; L1215-A1218 WeakPolarHBondContact O-CB 3.42Å; L1215-A1218 PolarHBondContact O-N 2.77Å; L1215-S1219 PolarHBondContact O-N 3.2Å; L1215-I1276 HydrophobicContact CD2-CG1 4.3Å; L1215-I1276 HydrophobicContact CG-CD1 4.4Å; L1215-I1276 HydrophobicContact CG-CG1 4.47Å; L1215-C1279 HydrophobicContact CD1-CB 3.88Å; L1215-C1279 HydrophobicContact CD2-CB 3.7Å; L1215-C1279 HydrophobicContact CG-CB 4.45Å; L1215-V1281 HydrophobicContact CD2-CG2 3.79Å; L1215-L1310 HydrophobicContact CD2-CB 4.25Å; L1215-L1310 HydrophobicContact CD2-CD1 4.33Å; L1215-L1310 HydrophobicContact CD2-CD2 4.08Å; L1215-L1310 HydrophobicContact CD2-CG 4.46Å |
| 1216 | S | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 176.6 | -58 | 0 | 0 | 0 | 0 | 111.3 | P1152 N1212 I1213 S1219 | P1152-S1216 WeakPolarHBondContact O-CB 3.48Å; P1152-S1216 PolarHBondContact O-OG 3.29Å; N1212-S1216 VanDerWaalsContact O-CB 3.25Å; N1212-S1216 WeakPolarHBondContact O-CB 3.48Å; N1212-S1216 PolarHBondContact O-N 3.41Å; N1212-S1216 PolarHBondContact O-OG 3.42Å; I1213-S1216 PolarHBondContact O-N 3.44Å; S1216-S1219 WeakPolarHBondContact O-CB 3.32Å; S1216-S1219 PolarHBondContact O-N 2.95Å; S1216-S1219 PolarHBondContact O-OG 3.28Å |
| 1217 | Y | 94.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 1% | 0.008 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -68.3 | -34.7 | 173.8 | -84.9 | -93.7 | 0 | 0 | 0 | 112.4 | L1151 S1188 G1190 T1193 F1194 I1213 S1219 L1220 I1226 P1227 I1230 | L1151-Y1217 HydrophobicContact CD2-CE2 4.2Å; S1188-Y1217 VanDerWaalsContact C-OH 3.31Å; S1188-Y1217 PolarHBondContact O-OH 3.34Å; G1190-Y1217 WeakPolarHBondContact CA-OH 3.17Å; G1190-Y1217 PolarHBondContact N-OH 3.27Å; T1193-Y1217 HydrophobicContact CG2-CE2 4.3Å; F1194-Y1217 AromaticContact CE2-CD1 3.81Å; F1194-Y1217 HydrophobicContact CE2-CD1 3.81Å; F1194-Y1217 HydrophobicContact CE2-CD2 4.11Å; F1194-Y1217 HydrophobicContact CE2-CE1 4.24Å; F1194-Y1217 AromaticContact CE2-CG 3.71Å; F1194-Y1217 HydrophobicContact CE2-CG 3.71Å; F1194-Y1217 HydrophobicContact CZ-CD1 4.11Å; F1194-Y1217 AromaticContact CZ-CD2 3.63Å; F1194-Y1217 HydrophobicContact CZ-CD2 3.63Å; F1194-Y1217 HydrophobicContact CZ-CE2 4.28Å; F1194-Y1217 AromaticContact CZ-CG 3.51Å; F1194-Y1217 HydrophobicContact CZ-CG 3.51Å; I1213-Y1217 HydrophobicContact CG2-CD2 3.9Å; I1213-Y1217 HydrophobicContact CG2-CE2 4.06Å; I1213-Y1217 WeakPolarHBondContact O-CD2 3.25Å; I1213-Y1217 PolarHBondContact O-N 2.91Å; Y1217-S1219 PolarHBondContact O-N 2.81Å; Y1217-L1220 PolarHBondContact O-N 2.99Å; Y1217-L1220 VanDerWaalsContact O-N 3.08Å; Y1217-I1226 HydrophobicContact CD1-CG2 3.54Å; Y1217-I1226 HydrophobicContact CE1-CG2 4.41Å; Y1217-I1226 HydrophobicContact CG-CG2 4.25Å; Y1217-I1226 WeakPolarHBondContact O-CD1 3.19Å; Y1217-P1227 HydrophobicContact CD1-CG 4.22Å; Y1217-P1227 HydrophobicContact CE1-CG 4.45Å; Y1217-I1230 HydrophobicContact CD1-CD1 3.9Å; Y1217-I1230 HydrophobicContact CD1-CG1 4.19Å; Y1217-I1230 HydrophobicContact CD2-CD1 4.07Å; Y1217-I1230 HydrophobicContact CE1-CD1 3.44Å; Y1217-I1230 VanDerWaalsContact CE1-CD1 3.44Å; Y1217-I1230 HydrophobicContact CE1-CG1 3.57Å; Y1217-I1230 HydrophobicContact CE2-CD1 3.62Å; Y1217-I1230 HydrophobicContact CG-CD1 4.22Å |
| 1218 | A | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -58.5 | -36.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1214 L1215 L1220 L1221 W1249 V1281 L1310 T1313 | I1214-A1218 VanDerWaalsContact O-CB 3.32Å; I1214-A1218 WeakPolarHBondContact O-CB 3.46Å; I1214-A1218 PolarHBondContact O-N 2.94Å; L1215-A1218 WeakPolarHBondContact O-CB 3.42Å; L1215-A1218 PolarHBondContact O-N 2.77Å; A1218-L1220 PolarHBondContact O-N 3.35Å; A1218-L1221 WeakPolarHBondContact O-CB 3.49Å; A1218-L1221 PolarHBondContact O-N 3.09Å; A1218-L1221 VanDerWaalsContact O-N 3.12Å; A1218-W1249 HydrophobicContact CB-CZ2 3.55Å; A1218-V1281 HydrophobicContact CB-CG1 3.83Å; A1218-V1281 HydrophobicContact CB-CG2 4Å; A1218-L1310 HydrophobicContact CB-CD1 3.7Å; A1218-T1313 HydrophobicContact CB-CG2 4.06Å; A1218-T1313 WeakPolarHBondContact O-CG2 3.48Å |
| 1219 | S | 93.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 4.7 Ų | 4.7 | 1% | 0.014 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -62.1 | -25.4 | 178.2 | 81.2 | 0 | 0 | 0 | 0 | 113.2 | P1152 L1215 S1216 Y1217 Y1282 W1284 | P1152-S1219 VanDerWaalsContact CB-OG 3.32Å; P1152-S1219 WeakPolarHBondContact CB-OG 3.44Å; L1215-S1219 PolarHBondContact O-N 3.2Å; S1216-S1219 WeakPolarHBondContact O-CB 3.32Å; S1216-S1219 PolarHBondContact O-N 2.95Å; S1216-S1219 PolarHBondContact O-OG 3.28Å; Y1217-S1219 PolarHBondContact O-N 2.81Å; S1219-Y1282 VanDerWaalsContact CA-O 3.23Å; S1219-Y1282 WeakPolarHBondContact CA-O 3.28Å; S1219-Y1282 WeakPolarHBondContact CB-O 3.18Å; S1219-W1284 WeakPolarHBondContact O-CB 3.22Å; S1219-W1284 PolarHBondContact O-N 3.33Å; S1219-W1284 VanDerWaalsContact OG-CD1 3.26Å |
| 1220 | L | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.015 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 9.7 | 178.7 | -59.4 | 178.1 | 0 | 0 | 0 | 113 | P1152 Y1217 A1218 R1222 P1227 I1230 P1238 Y1240 W1284 F1285 W1293 | P1152-L1220 HydrophobicContact CB-CD2 4.22Å; P1152-L1220 HydrophobicContact CB-CG 4.33Å; P1152-L1220 HydrophobicContact CG-CD1 3.36Å; P1152-L1220 HydrophobicContact CG-CD2 3.57Å; P1152-L1220 HydrophobicContact CG-CG 3.42Å; P1152-L1220 VanDerWaalsContact CG-CG 3.42Å; Y1217-L1220 PolarHBondContact O-N 2.99Å; Y1217-L1220 VanDerWaalsContact O-N 3.08Å; A1218-L1220 PolarHBondContact O-N 3.35Å; L1220-R1222 PolarHBondContact O-N 2.92Å; L1220-R1222 VanDerWaalsContact O-N 3.17Å; L1220-P1227 HydrophobicContact CB-CG 3.94Å; L1220-P1227 HydrophobicContact CD1-CG 3.84Å; L1220-I1230 HydrophobicContact CD1-CB 4.46Å; L1220-I1230 HydrophobicContact CD1-CD1 3.95Å; L1220-I1230 HydrophobicContact CD1-CG1 3.83Å; L1220-I1230 HydrophobicContact CD1-CG2 4.03Å; L1220-P1238 HydrophobicContact CD1-CG 4.35Å; L1220-P1238 HydrophobicContact CD2-CG 4.45Å; L1220-Y1240 VanDerWaalsContact O-CE1 3.31Å; L1220-Y1240 WeakPolarHBondContact O-CE1 3.29Å; L1220-Y1240 PolarHBondContact O-OH 3.09Å; L1220-W1284 HydrophobicContact CD2-CB 4.29Å; L1220-W1284 HydrophobicContact CD2-CG 4.33Å; L1220-F1285 HydrophobicContact CD2-CE2 3.87Å; L1220-W1293 HydrophobicContact CD2-CB 3.79Å; L1220-W1293 HydrophobicContact CD2-CD2 4.23Å; L1220-W1293 HydrophobicContact CD2-CE3 4.26Å; L1220-W1293 HydrophobicContact CD2-CG 4.06Å |
| 1221 | L | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.017 | C | C | . | . | trans | -57.4 | 127.2 | 173.9 | -172 | 89 | 0 | 0 | 0 | 109.3 | A1218 L1225 I1226 W1249 R1283 T1313 E1316 A1317 | A1218-L1221 WeakPolarHBondContact O-CB 3.49Å; A1218-L1221 PolarHBondContact O-N 3.09Å; A1218-L1221 VanDerWaalsContact O-N 3.12Å; L1221-L1225 WeakPolarHBondContact CA-O 3.31Å; L1221-L1225 WeakPolarHBondContact CD1-O 3.36Å; L1221-I1226 HydrophobicContact CB-CD1 4.23Å; L1221-I1226 HydrophobicContact CD1-CD1 3.68Å; L1221-I1226 HydrophobicContact CD1-CG1 4.03Å; L1221-W1249 HydrophobicContact CD1-CZ3 4.47Å; L1221-R1283 PolarHBondContact O-NH2 3.21Å; L1221-T1313 HydrophobicContact CB-CG2 3.95Å; L1221-T1313 HydrophobicContact CD2-CG2 3.88Å; L1221-T1313 WeakPolarHBondContact CD2-O 3.44Å; L1221-T1313 HydrophobicContact CG-CG2 4.43Å; L1221-E1316 HydrophobicContact CD2-CB 4.13Å; L1221-E1316 HydrophobicContact CD2-CG 4.19Å; L1221-A1317 HydrophobicContact CD1-CB 3.78Å; L1221-A1317 HydrophobicContact CD2-CB 4.06Å | ||
| 1222 | R | 94.4 | Very high | 92.7 | Very high | 13 Ų | 13 | 4.6 Ų | 4.6 | 5% | 0.049 | 2% | 0.024 | C | C | . | . | B | Isolated β-bridge | trans | -150.6 | 145.4 | 178 | -172.5 | 177.8 | 168.5 | -123.6 | -16 | 109.4 | L1220 G1224 L1225 Y1240 F1285 D1288 R1330 | L1220-R1222 PolarHBondContact O-N 2.92Å; L1220-R1222 VanDerWaalsContact O-N 3.17Å; R1222-G1224 PolarHBondContact O-N 3.05Å; R1222-L1225 PolarHBondContact N-O 3.01Å; R1222-L1225 VanDerWaalsContact N-O 3.08Å; R1222-L1225 PolarHBondContact O-N 3.45Å; R1222-Y1240 HydrophobicContact CB-CD1 4.46Å; R1222-Y1240 HydrophobicContact CB-CE1 3.73Å; R1222-Y1240 HydrophobicContact CB-CE2 4.21Å; R1222-F1285 HydrophobicContact CB-CB 3.97Å; R1222-F1285 HydrophobicContact CB-CD2 4.04Å; R1222-F1285 HydrophobicContact CB-CG 4.15Å; R1222-F1285 HydrophobicContact CG-CB 3.9Å; R1222-F1285 HydrophobicContact CG-CD2 4.5Å; R1222-F1285 HydrophobicContact CG-CG 4.15Å; R1222-D1288 PolarHBondContact NE-O 2.91Å; R1222-D1288 PolarHBondContact NH2-O 3.06Å; R1222-R1330 VanDerWaalsContact CZ-CZ 3.41Å |
| 1223 | H | 94.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 3.7 Ų | 3.7 | 4% | 0.037 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 5.9 | -171.2 | -51.2 | -59.9 | 0 | 0 | 0 | 114.5 | D1288 I1325 F1327 | H1223-D1288 WeakPolarHBondContact CA-OD1 3.15Å; H1223-D1288 IonicContact CE1-OD1 2.78Å; H1223-D1288 IonicContact CE1-OD2 3.63Å; H1223-D1288 IonicContact CG-OD1 2.74Å; H1223-D1288 IonicContact CG-OD2 3.61Å; H1223-D1288 PolarHBondContact N-OD1 3.35Å; H1223-D1288 IonicContact ND1-OD1 3.66Å; H1223-D1288 PolarHBondContact ND1-OD1 2.58Å; H1223-D1288 IonicContact ND1-OD2 2.72Å; H1223-D1288 PolarHBondContact ND1-OD2 3.49Å; H1223-I1325 HydrophobicContact CB-CG2 4.03Å; H1223-I1325 WeakPolarHBondContact O-CD1 3.44Å; H1223-I1325 VanDerWaalsContact O-CG1 3.23Å; H1223-I1325 WeakPolarHBondContact O-CG1 3.32Å; H1223-I1325 WeakPolarHBondContact O-CG2 3.4Å; H1223-F1327 HydrophobicContact CB-CD1 3.9Å; H1223-F1327 HydrophobicContact CB-CE1 3.8Å; H1223-F1327 HydrophobicContact CB-CZ 4.46Å; H1223-F1327 AromaticContact CD2-CD1 3.8Å; H1223-F1327 AromaticContact CD2-CD2 3.65Å; H1223-F1327 AromaticContact CD2-CE1 3.72Å; H1223-F1327 AromaticContact CD2-CE2 3.57Å; H1223-F1327 AromaticContact CD2-CG 3.78Å; H1223-F1327 AromaticContact CD2-CZ 3.6Å; H1223-F1327 AromaticContact CE1-CG 3.94Å; H1223-F1327 AromaticContact CG-CD1 3.67Å; H1223-F1327 AromaticContact CG-CE1 3.81Å; H1223-F1327 AromaticContact CG-CG 3.92Å; H1223-F1327 AromaticContact NE2-CD2 3.54Å; H1223-F1327 AromaticContact NE2-CE2 3.82Å; H1223-F1327 AromaticContact NE2-CG 3.82Å |
| 1224 | G | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 8.4 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115 | R1222 H1321 | R1222-G1224 PolarHBondContact O-N 3.05Å; G1224-H1321 PolarHBondContact O-CE1 3.25Å |
| 1225 | L | 96.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -114.2 | 155.2 | -178.9 | -61.7 | 176.8 | 0 | 0 | 0 | 111.4 | L1221 R1222 Y1240 V1246 I1325 F1327 V1347 | L1221-L1225 WeakPolarHBondContact CA-O 3.31Å; L1221-L1225 WeakPolarHBondContact CD1-O 3.36Å; R1222-L1225 PolarHBondContact N-O 3.01Å; R1222-L1225 VanDerWaalsContact N-O 3.08Å; R1222-L1225 PolarHBondContact O-N 3.45Å; L1225-Y1240 HydrophobicContact CB-CD1 3.93Å; L1225-Y1240 WeakPolarHBondContact O-CE1 3.46Å; L1225-V1246 HydrophobicContact CD2-CG1 4Å; L1225-I1325 HydrophobicContact CD1-CG2 4.41Å; L1225-I1325 HydrophobicContact CD2-CD1 4.06Å; L1225-I1325 HydrophobicContact CG-CD1 4.19Å; L1225-F1327 HydrophobicContact CD1-CE1 3.75Å; L1225-F1327 HydrophobicContact CD1-CZ 4.02Å; L1225-V1347 HydrophobicContact CD1-CG1 4.14Å |
| 1226 | I | 96.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -98.4 | 138.9 | 169.1 | -65.6 | -67.8 | 0 | 0 | 0 | 107.5 | F1194 Y1217 L1221 N1228 V1246 W1249 | F1194-I1226 HydrophobicContact CE2-CG2 4.03Å; Y1217-I1226 HydrophobicContact CD1-CG2 3.54Å; Y1217-I1226 HydrophobicContact CE1-CG2 4.41Å; Y1217-I1226 HydrophobicContact CG-CG2 4.25Å; Y1217-I1226 WeakPolarHBondContact O-CD1 3.19Å; L1221-I1226 HydrophobicContact CB-CD1 4.23Å; L1221-I1226 HydrophobicContact CD1-CD1 3.68Å; L1221-I1226 HydrophobicContact CD1-CG1 4.03Å; I1226-N1228 PolarHBondContact O-N 3.38Å; I1226-V1246 HydrophobicContact CB-CB 4.31Å; I1226-V1246 HydrophobicContact CG1-CB 4.16Å; I1226-V1246 HydrophobicContact CG1-CG2 4.06Å; I1226-W1249 HydrophobicContact CD1-CD2 3.73Å; I1226-W1249 HydrophobicContact CD1-CE3 3.92Å; I1226-W1249 HydrophobicContact CD1-CG 4.15Å; I1226-W1249 HydrophobicContact CD1-CZ2 4.3Å; I1226-W1249 HydrophobicContact CD1-CZ3 4.31Å; I1226-W1249 HydrophobicContact CG1-CB 4.05Å; I1226-W1249 HydrophobicContact CG1-CD2 3.68Å; I1226-W1249 HydrophobicContact CG1-CE3 3.69Å; I1226-W1249 HydrophobicContact CG1-CG 3.85Å; I1226-W1249 HydrophobicContact CG1-CZ3 4.42Å | ||
| 1227 | P | 94.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -63.7 | 135.3 | -177.9 | 26 | -34.9 | 0 | 0 | 0 | 111.4 | Y1217 L1220 L1229 I1230 P1238 R1239 Y1240 | Y1217-P1227 HydrophobicContact CD1-CG 4.22Å; Y1217-P1227 HydrophobicContact CE1-CG 4.45Å; L1220-P1227 HydrophobicContact CB-CG 3.94Å; L1220-P1227 HydrophobicContact CD1-CG 3.84Å; P1227-L1229 VanDerWaalsContact C-N 3.34Å; P1227-I1230 HydrophobicContact CG-CG1 4.02Å; P1227-P1238 HydrophobicContact CB-CB 3.98Å; P1227-P1238 HydrophobicContact CG-CB 4.41Å; P1227-R1239 CarbonylContact C-O 3.5Å; P1227-R1239 WeakPolarHBondContact CA-O 3.41Å; P1227-R1239 WeakPolarHBondContact CB-O 3.49Å; P1227-Y1240 HydrophobicContact CB-CD1 4.37Å; P1227-Y1240 HydrophobicContact CB-CE1 4.08Å; P1227-Y1240 HydrophobicContact CG-CE1 4.34Å | ||
| 1228 | N | 93.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -70.3 | -38.4 | 171.3 | -161.5 | 26.3 | 0 | 0 | 0 | 110.7 | W1189 G1190 I1226 R1239 N1241 C1242 | W1189-N1228 CarbonylContact C-O 3.45Å; W1189-N1228 VanDerWaalsContact CA-O 3.28Å; W1189-N1228 WeakPolarHBondContact CA-O 3.34Å; W1189-N1228 PolarHBondContact NE1-ND2 3.31Å; W1189-N1228 PolarHBondContact NE1-OD1 3.19Å; G1190-N1228 PolarHBondContact N-O 3.23Å; I1226-N1228 PolarHBondContact O-N 3.38Å; N1228-R1239 PolarHBondContact N-O 2.96Å; N1228-N1241 VanDerWaalsContact CB-OD1 3.23Å; N1228-N1241 WeakPolarHBondContact CB-OD1 3.39Å; N1228-C1242 HydrophobicContact CB-CB 3.84Å; N1228-C1242 WeakPolarHBondContact CB-SG 3.49Å; N1228-C1242 VanDerWaalsContact CG-SG 3.58Å |
| 1229 | L | 92.3 | Very high | 88.4 | Confident | 8 Ų | 8 | 24.2 Ų | 24.2 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -126.5 | 116 | 176.1 | -174.5 | 63 | 0 | 0 | 0 | 107.1 | M1185 W1186 W1189 P1227 V1236 P1238 R1239 | M1185-L1229 WeakPolarHBondContact O-CD1 3.24Å; W1186-L1229 HydrophobicContact CE3-CD2 4.19Å; W1186-L1229 HydrophobicContact CZ3-CD2 4.14Å; W1189-L1229 HydrophobicContact CD2-CD1 4.2Å; W1189-L1229 HydrophobicContact CE3-CD1 3.66Å; W1189-L1229 HydrophobicContact CZ3-CD1 3.95Å; P1227-L1229 VanDerWaalsContact C-N 3.34Å; L1229-V1236 HydrophobicContact CD2-CG1 4.07Å; L1229-P1238 CarbonylContact O-C 3.51Å; L1229-P1238 WeakPolarHBondContact O-CA 3.29Å; L1229-R1239 HydrophobicContact CB-CB 4.26Å; L1229-R1239 PolarHBondContact O-N 3.02Å |
| 1230 | I | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -65.7 | -35.1 | 172.4 | -68.3 | -177.1 | 0 | 0 | 0 | 109.9 | L1151 S1188 Y1217 L1220 P1227 K1237 P1238 W1293 | L1151-I1230 HydrophobicContact CD2-CD1 3.52Å; S1188-I1230 PolarHBondContact O-N 3.45Å; Y1217-I1230 HydrophobicContact CD1-CD1 3.9Å; Y1217-I1230 HydrophobicContact CD1-CG1 4.19Å; Y1217-I1230 HydrophobicContact CD2-CD1 4.07Å; Y1217-I1230 HydrophobicContact CE1-CD1 3.44Å; Y1217-I1230 VanDerWaalsContact CE1-CD1 3.44Å; Y1217-I1230 HydrophobicContact CE1-CG1 3.57Å; Y1217-I1230 HydrophobicContact CE2-CD1 3.62Å; Y1217-I1230 HydrophobicContact CG-CD1 4.22Å; L1220-I1230 HydrophobicContact CD1-CB 4.46Å; L1220-I1230 HydrophobicContact CD1-CD1 3.95Å; L1220-I1230 HydrophobicContact CD1-CG1 3.83Å; L1220-I1230 HydrophobicContact CD1-CG2 4.03Å; P1227-I1230 HydrophobicContact CG-CG1 4.02Å; I1230-K1237 CarbonylContact O-C 3.59Å; I1230-P1238 VanDerWaalsContact O-CA 3.27Å; I1230-P1238 WeakPolarHBondContact O-CA 3.36Å; I1230-P1238 WeakPolarHBondContact O-CG 3.39Å; I1230-W1293 HydrophobicContact CG2-CH2 3.67Å; I1230-W1293 HydrophobicContact CG2-CZ3 3.73Å | ||
| 1231 | G | 85.7 | Confident | 88.3 | Confident | 4 Ų | 4 | 24.9 Ų | 24.9 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | trans | 76.4 | -172 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1236 | G1231-V1236 WeakPolarHBondContact CA-O 3.16Š| ||
| 1232 | D | 78.5 | Confident | 88.2 | Confident | 27 Ų | 27 | 25 Ų | 25 | 14% | 0.144 | 12% | 0.121 | C | C | . | . | trans | -93.9 | -4.4 | 173.6 | 60.1 | 7 | 0 | 0 | 0 | 112.3 | M1185 Y1234 T1235 V1236 | M1185-D1232 HydrophobicContact CB-CB 4.25Å; D1232-Y1234 WeakPolarHBondContact O-CD2 3.41Å; D1232-Y1234 PolarHBondContact O-N 2.96Å; D1232-Y1234 PolarHBondContact OD1-N 3.18Å; D1232-Y1234 VanDerWaalsContact OD1-N 3.09Å; D1232-T1235 WeakPolarHBondContact OD1-CA 3.13Å; D1232-T1235 PolarHBondContact OD1-N 3.02Å; D1232-T1235 VanDerWaalsContact OD2-CB 3.3Å; D1232-T1235 WeakPolarHBondContact OD2-CB 3.31Å; D1232-T1235 PolarHBondContact OD2-OG1 3.33Å; D1232-V1236 PolarHBondContact N-O 2.91Å; D1232-V1236 PolarHBondContact OD1-N 3.31Å | ||
| 1233 | G | 67.4 | Low | 88.2 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 80.5 | -26.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1236 P1294 | G1233-V1236 WeakPolarHBondContact CA-O 3.14Å; G1233-V1236 PolarHBondContact N-O 3.08Å; G1233-P1294 WeakPolarHBondContact O-CG 3.39Å |
| 1234 | Y | 70.1 | Confident | 88.3 | Confident | 181 Ų | 181 | 24.4 Ų | 24.4 | 71% | 0.71 | 12% | 0.119 | S | C | * | . | S | Bend | trans | -93.1 | -57.5 | -177.4 | -56.8 | -79.5 | 0 | 0 | 0 | 111.8 | D1232 | D1232-Y1234 WeakPolarHBondContact O-CD2 3.41Å; D1232-Y1234 PolarHBondContact O-N 2.96Å; D1232-Y1234 PolarHBondContact OD1-N 3.18Å; D1232-Y1234 VanDerWaalsContact OD1-N 3.09Å |
| 1235 | T | 74.1 | Confident | 88.3 | Confident | 112 Ų | 112 | 24.4 Ų | 24.4 | 69% | 0.687 | 12% | 0.119 | S | C | * | . | S | Bend | trans | -87.7 | -38.9 | -177.3 | -22.9 | 0 | 0 | 0 | 0 | 110.2 | D1232 | D1232-T1235 WeakPolarHBondContact OD1-CA 3.13Å; D1232-T1235 PolarHBondContact OD1-N 3.02Å; D1232-T1235 VanDerWaalsContact OD2-CB 3.3Å; D1232-T1235 WeakPolarHBondContact OD2-CB 3.31Å; D1232-T1235 PolarHBondContact OD2-OG1 3.33Å |
| 1236 | V | 81.3 | Confident | 88.4 | Confident | 28 Ų | 28 | 24.5 Ų | 24.5 | 17% | 0.17 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -131.5 | 121.1 | 178.3 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | M1185 L1229 G1231 D1232 G1233 R1239 | M1185-V1236 HydrophobicContact CB-CB 4.16Å; M1185-V1236 HydrophobicContact CB-CG2 4.21Å; M1185-V1236 HydrophobicContact CG-CG2 4.33Å; M1185-V1236 HydrophobicContact SD-CB 4.35Å; M1185-V1236 HydrophobicContact SD-CG2 3.4Å; M1185-V1236 WeakPolarHBondContact SD-CG2 3.26Å; L1229-V1236 HydrophobicContact CD2-CG1 4.07Å; G1231-V1236 WeakPolarHBondContact CA-O 3.16Å; D1232-V1236 PolarHBondContact N-O 2.91Å; D1232-V1236 PolarHBondContact OD1-N 3.31Å; G1233-V1236 WeakPolarHBondContact CA-O 3.14Å; G1233-V1236 PolarHBondContact N-O 3.08Å; V1236-R1239 HydrophobicContact CG1-CG 4.43Å |
| 1237 | K | 84.9 | Confident | 88.5 | Confident | 81 Ų | 81 | 24.6 Ų | 24.6 | 35% | 0.352 | 12% | 0.12 | S | C | . | . | trans | -81.3 | 163.4 | 172.5 | -64.3 | -168.4 | 179.7 | -169 | 0 | 110.8 | I1230 R1239 D1295 | I1230-K1237 CarbonylContact O-C 3.59Å; K1237-R1239 PolarHBondContact O-N 3.28Å; K1237-D1295 IonicContact NZ-OD1 3.9Å; K1237-D1295 IonicContact NZ-OD2 3.96Å; K1237-D1295 PolarHBondContact NZ-OD2 3.32Å | ||
| 1238 | P | 90.4 | Very high | 88.6 | Confident | 15 Ų | 15 | 24.7 Ų | 24.7 | 10% | 0.097 | 12% | 0.12 | C | C | . | . | trans | -53.2 | 127.2 | 179.3 | -27.6 | 34.6 | 0 | 0 | 0 | 112.9 | L1220 P1227 L1229 I1230 Y1240 W1293 | L1220-P1238 HydrophobicContact CD1-CG 4.35Å; L1220-P1238 HydrophobicContact CD2-CG 4.45Å; P1227-P1238 HydrophobicContact CB-CB 3.98Å; P1227-P1238 HydrophobicContact CG-CB 4.41Å; L1229-P1238 CarbonylContact O-C 3.51Å; L1229-P1238 WeakPolarHBondContact O-CA 3.29Å; I1230-P1238 VanDerWaalsContact O-CA 3.27Å; I1230-P1238 WeakPolarHBondContact O-CA 3.36Å; I1230-P1238 WeakPolarHBondContact O-CG 3.39Å; P1238-Y1240 HydrophobicContact CB-CE2 3.9Å; P1238-Y1240 WeakPolarHBondContact O-CE2 3.48Å; P1238-W1293 HydrophobicContact CG-CE3 3.51Å; P1238-W1293 HydrophobicContact CG-CZ3 3.68Å | ||
| 1239 | R | 91.9 | Very high | 88.9 | Confident | 28 Ų | 28 | 24.7 Ų | 24.7 | 11% | 0.106 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -104.2 | 132 | -179.8 | -70.2 | -160.5 | 58.6 | -155.9 | -2.5 | 112 | P1227 N1228 L1229 V1236 K1237 N1241 E1329 L1336 | P1227-R1239 CarbonylContact C-O 3.5Å; P1227-R1239 WeakPolarHBondContact CA-O 3.41Å; P1227-R1239 WeakPolarHBondContact CB-O 3.49Å; N1228-R1239 PolarHBondContact N-O 2.96Å; L1229-R1239 HydrophobicContact CB-CB 4.26Å; L1229-R1239 PolarHBondContact O-N 3.02Å; V1236-R1239 HydrophobicContact CG1-CG 4.43Å; K1237-R1239 PolarHBondContact O-N 3.28Å; R1239-N1241 VanDerWaalsContact NH2-CB 3.28Å; R1239-E1329 IonicContact CZ-OE1 3.84Å; R1239-E1329 IonicContact CZ-OE2 2.86Å; R1239-E1329 IonicContact NE-OE1 2.83Å; R1239-E1329 PolarHBondContact NE-OE1 2.98Å; R1239-E1329 IonicContact NE-OE2 3.96Å; R1239-E1329 IonicContact NH2-OE1 3.21Å; R1239-E1329 PolarHBondContact NH2-OE1 2.91Å; R1239-E1329 IonicContact NH2-OE2 2.67Å; R1239-E1329 PolarHBondContact NH2-OE2 3.24Å; R1239-L1336 HydrophobicContact CG-CD1 4.31Å |
| 1240 | Y | 93.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | trans | -112.9 | 42.6 | -177.8 | -59.7 | -94.2 | 0 | 0 | 0 | 110.3 | L1220 R1222 L1225 P1227 P1238 F1285 F1327 | L1220-Y1240 VanDerWaalsContact O-CE1 3.31Å; L1220-Y1240 WeakPolarHBondContact O-CE1 3.29Å; L1220-Y1240 PolarHBondContact O-OH 3.09Å; R1222-Y1240 HydrophobicContact CB-CD1 4.46Å; R1222-Y1240 HydrophobicContact CB-CE1 3.73Å; R1222-Y1240 HydrophobicContact CB-CE2 4.21Å; L1225-Y1240 HydrophobicContact CB-CD1 3.93Å; L1225-Y1240 WeakPolarHBondContact O-CE1 3.46Å; P1227-Y1240 HydrophobicContact CB-CD1 4.37Å; P1227-Y1240 HydrophobicContact CB-CE1 4.08Å; P1227-Y1240 HydrophobicContact CG-CE1 4.34Å; P1238-Y1240 HydrophobicContact CB-CE2 3.9Å; P1238-Y1240 WeakPolarHBondContact O-CE2 3.48Å; Y1240-F1285 WeakPolarHBondContact OH-CE2 3.46Å; Y1240-F1327 WeakPolarHBondContact O-CZ 3.43Å | ||
| 1241 | N | 91.4 | Very high | 89.5 | Confident | 12 Ų | 12 | 25.5 Ų | 25.5 | 6% | 0.064 | 12% | 0.123 | C | C | . | . | trans | -83.8 | -12.2 | -174.4 | 65.3 | -43.9 | 0 | 0 | 0 | 114.2 | N1228 R1239 E1329 N1365 | N1228-N1241 VanDerWaalsContact CB-OD1 3.23Å; N1228-N1241 WeakPolarHBondContact CB-OD1 3.39Å; R1239-N1241 VanDerWaalsContact NH2-CB 3.28Å; N1241-E1329 WeakPolarHBondContact CB-OE2 3.47Å; N1241-N1365 PolarHBondContact O-ND2 3.11Å | ||
| 1242 | C | 93.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | trans | -107.6 | 152.6 | 176 | 83.7 | 0 | 0 | 0 | 0 | 111 | N1228 D1244 A1245 | N1228-C1242 HydrophobicContact CB-CB 3.84Å; N1228-C1242 WeakPolarHBondContact CB-SG 3.49Å; N1228-C1242 VanDerWaalsContact CG-SG 3.58Å; C1242-D1244 VanDerWaalsContact CB-OD1 3.23Å; C1242-D1244 WeakPolarHBondContact CB-OD1 3.44Å; C1242-D1244 PolarHBondContact SG-OD1 3.02Å; C1242-D1244 VanDerWaalsContact SG-OD1 3.36Å; C1242-A1245 WeakPolarHBondContact SG-CB 3.07Å | ||
| 1243 | R | 94.6 | Very high | 90.9 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 3% | 0.034 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -107.1 | -4.1 | 173.6 | 58.8 | 171.2 | -173.6 | 160.4 | 11.2 | 113 | V1246 W1247 A1349 G1360 G1367 R1389 G1391 L1396 | R1243-V1246 WeakPolarHBondContact O-CG1 3.23Å; R1243-W1247 VanDerWaalsContact O-CD1 3.23Å; R1243-A1349 HydrophobicContact CB-CB 4.1Å; R1243-G1360 PolarHBondContact NE-O 3.45Å; R1243-G1360 PolarHBondContact NH1-O 3.02Å; R1243-G1367 WeakPolarHBondContact CG-O 3.03Å; R1243-G1367 PolarHBondContact N-O 2.8Å; R1243-R1389 PolarHBondContact NH2-O 3.39Å; R1243-G1391 VanDerWaalsContact CZ-O 3.25Å; R1243-G1391 PolarHBondContact NH1-O 3.36Å; R1243-G1391 PolarHBondContact NH2-O 2.9Å; R1243-L1396 HydrophobicContact CG-CD1 4.26Å |
| 1244 | D | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -96.8 | -32.2 | -173.7 | 61.1 | -15.4 | 0 | 0 | 0 | 114.1 | R1191 C1242 V1246 W1247 Y1248 T1368 W1369 L1396 | R1191-D1244 VanDerWaalsContact CD-CG 3.47Å; R1191-D1244 WeakPolarHBondContact CD-OD2 3.36Å; R1191-D1244 IonicContact NE-OD2 3.19Å; R1191-D1244 IonicContact NH1-OD1 3.41Å; R1191-D1244 PolarHBondContact NH1-OD1 3.49Å; R1191-D1244 IonicContact NH1-OD2 2.67Å; C1242-D1244 VanDerWaalsContact CB-OD1 3.23Å; C1242-D1244 WeakPolarHBondContact CB-OD1 3.44Å; C1242-D1244 PolarHBondContact SG-OD1 3.02Å; C1242-D1244 VanDerWaalsContact SG-OD1 3.36Å; D1244-V1246 PolarHBondContact O-N 3.07Å; D1244-V1246 VanDerWaalsContact O-N 3.13Å; D1244-W1247 PolarHBondContact O-N 3.08Å; D1244-Y1248 HydrophobicContact CB-CE2 4.49Å; D1244-Y1248 WeakPolarHBondContact O-CD2 3.4Å; D1244-Y1248 PolarHBondContact O-N 3.24Å; D1244-Y1248 VanDerWaalsContact O-N 3.15Å; D1244-T1368 WeakPolarHBondContact OD2-CA 3.48Å; D1244-W1369 PolarHBondContact OD2-N 2.92Å; D1244-L1396 HydrophobicContact CB-CD1 4.29Å; D1244-L1396 HydrophobicContact CB-CD2 3.4Å; D1244-L1396 HydrophobicContact CB-CG 4.44Å |
| 1245 | A | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -53.7 | -37.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | R1191 C1242 W1247 Y1248 W1249 | R1191-A1245 HydrophobicContact CB-CB 4.08Å; C1242-A1245 WeakPolarHBondContact SG-CB 3.07Å; A1245-W1247 PolarHBondContact O-N 2.69Å; A1245-Y1248 PolarHBondContact O-N 3.05Å; A1245-W1249 WeakPolarHBondContact O-CB 3.36Å; A1245-W1249 PolarHBondContact O-N 2.94Å |
| 1246 | V | 97.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.006 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 176.7 | 65.9 | 0 | 0 | 0 | 0 | 112.7 | L1225 I1226 R1243 D1244 W1249 L1250 A1317 | L1225-V1246 HydrophobicContact CD2-CG1 4Å; I1226-V1246 HydrophobicContact CB-CB 4.31Å; I1226-V1246 HydrophobicContact CG1-CB 4.16Å; I1226-V1246 HydrophobicContact CG1-CG2 4.06Å; R1243-V1246 WeakPolarHBondContact O-CG1 3.23Å; D1244-V1246 PolarHBondContact O-N 3.07Å; D1244-V1246 VanDerWaalsContact O-N 3.13Å; V1246-W1249 HydrophobicContact CG2-CE3 4.22Å; V1246-W1249 PolarHBondContact O-N 3.37Å; V1246-L1250 HydrophobicContact CG2-CD1 4.29Å; V1246-L1250 HydrophobicContact CG2-CG 4.49Å; V1246-L1250 WeakPolarHBondContact O-CB 3.28Å; V1246-L1250 VanDerWaalsContact O-CG 3.27Å; V1246-L1250 WeakPolarHBondContact O-CG 3.46Å; V1246-L1250 PolarHBondContact O-N 3.37Å; V1246-A1317 HydrophobicContact CG2-CB 4.16Å |
| 1247 | W | 98.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 9.4 Ų | 9.4 | 1% | 0.008 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -72.3 | -38.7 | 178.9 | -68.6 | 105.5 | 0 | 0 | 0 | 111.4 | R1243 D1244 A1245 L1250 Y1251 L1318 H1321 I1351 P1358 L1396 L1399 A1400 W1439 | R1243-W1247 VanDerWaalsContact O-CD1 3.23Å; D1244-W1247 PolarHBondContact O-N 3.08Å; A1245-W1247 PolarHBondContact O-N 2.69Å; W1247-L1250 HydrophobicContact CE3-CD1 4.05Å; W1247-L1250 HydrophobicContact CZ3-CD1 4.23Å; W1247-Y1251 VanDerWaalsContact O-CB 3.27Å; W1247-Y1251 WeakPolarHBondContact O-CB 3.42Å; W1247-Y1251 PolarHBondContact O-N 2.9Å; W1247-L1318 HydrophobicContact CH2-CD2 4.3Å; W1247-L1318 HydrophobicContact CZ3-CD2 4.19Å; W1247-H1321 AromaticContact CZ2-CD2 3.87Å; W1247-H1321 AromaticContact NE1-NE2 3.8Å; W1247-I1351 HydrophobicContact CH2-CD1 4.32Å; W1247-I1351 HydrophobicContact CZ2-CD1 4.02Å; W1247-P1358 HydrophobicContact CH2-CG 4.12Å; W1247-P1358 HydrophobicContact CZ2-CB 3.91Å; W1247-P1358 HydrophobicContact CZ2-CG 3.61Å; W1247-L1396 HydrophobicContact CB-CD2 4.43Å; W1247-L1399 HydrophobicContact CB-CB 3.98Å; W1247-L1399 HydrophobicContact CB-CD1 4.02Å; W1247-A1400 HydrophobicContact CD2-CB 4.33Å; W1247-A1400 HydrophobicContact CE3-CB 3.73Å; W1247-A1400 HydrophobicContact CH2-CB 3.7Å; W1247-A1400 HydrophobicContact CZ2-CB 4.3Å; W1247-A1400 VanDerWaalsContact CZ3-CA 3.46Å; W1247-A1400 HydrophobicContact CZ3-CB 3.39Å; W1247-W1439 HydrophobicContact CH2-CH2 4.3Å; W1247-W1439 HydrophobicContact CH2-CZ2 4.23Å |
| 1248 | Y | 98.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.008 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -65.3 | -38.6 | 170.6 | -76.7 | -72.9 | 0 | 0 | 0 | 112.5 | R1191 I1195 D1244 A1245 Y1251 S1252 L1399 | R1191-Y1248 HydrophobicContact CG-CD2 4.15Å; R1191-Y1248 HydrophobicContact CG-CE2 4.32Å; I1195-Y1248 HydrophobicContact CD1-CE1 4.09Å; I1195-Y1248 HydrophobicContact CD1-CE2 4.06Å; I1195-Y1248 HydrophobicContact CG1-CD1 3.63Å; I1195-Y1248 HydrophobicContact CG1-CD2 4.3Å; I1195-Y1248 HydrophobicContact CG1-CE1 3.48Å; I1195-Y1248 VanDerWaalsContact CG1-CE1 3.48Å; I1195-Y1248 HydrophobicContact CG1-CE2 4.18Å; I1195-Y1248 HydrophobicContact CG1-CG 4.04Å; D1244-Y1248 HydrophobicContact CB-CE2 4.49Å; D1244-Y1248 WeakPolarHBondContact O-CD2 3.4Å; D1244-Y1248 PolarHBondContact O-N 3.24Å; D1244-Y1248 VanDerWaalsContact O-N 3.15Å; A1245-Y1248 PolarHBondContact O-N 3.05Å; Y1248-Y1251 PolarHBondContact O-N 3.47Å; Y1248-S1252 WeakPolarHBondContact O-CB 3.39Å; Y1248-S1252 PolarHBondContact O-N 3.05Å; Y1248-S1252 PolarHBondContact O-OG 3.21Å; Y1248-L1399 HydrophobicContact CD1-CD1 3.89Å; Y1248-L1399 HydrophobicContact CD1-CD2 4.15Å; Y1248-L1399 HydrophobicContact CD2-CD1 4Å; Y1248-L1399 HydrophobicContact CE1-CD1 3.77Å; Y1248-L1399 HydrophobicContact CE1-CD2 4.24Å; Y1248-L1399 HydrophobicContact CE2-CD1 3.89Å; Y1248-L1399 HydrophobicContact CG-CD1 4Å |
| 1249 | W | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.2 | -49.5 | 174.2 | 171 | 74.2 | 0 | 0 | 0 | 111.9 | F1194 I1214 A1218 L1221 I1226 A1245 V1246 Y1251 S1252 I1253 L1310 T1313 M1314 A1317 | F1194-W1249 HydrophobicContact CD1-CB 4.35Å; F1194-W1249 HydrophobicContact CD2-CB 3.68Å; F1194-W1249 HydrophobicContact CD2-CG 4.47Å; F1194-W1249 HydrophobicContact CE1-CB 4.43Å; F1194-W1249 AromaticContact CE1-CD1 3.6Å; F1194-W1249 HydrophobicContact CE1-CG 4.41Å; F1194-W1249 HydrophobicContact CE2-CB 3.79Å; F1194-W1249 AromaticContact CE2-CD1 3.81Å; F1194-W1249 HydrophobicContact CE2-CG 4.14Å; F1194-W1249 HydrophobicContact CG-CB 4.04Å; F1194-W1249 HydrophobicContact CZ-CB 4.2Å; F1194-W1249 AromaticContact CZ-CD1 3.38Å; F1194-W1249 HydrophobicContact CZ-CG 4.14Å; I1214-W1249 PolarHBondContact O-NE1 2.62Å; I1214-W1249 VanDerWaalsContact O-NE1 3.09Å; A1218-W1249 HydrophobicContact CB-CZ2 3.55Å; L1221-W1249 HydrophobicContact CD1-CZ3 4.47Å; I1226-W1249 HydrophobicContact CD1-CD2 3.73Å; I1226-W1249 HydrophobicContact CD1-CE3 3.92Å; I1226-W1249 HydrophobicContact CD1-CG 4.15Å; I1226-W1249 HydrophobicContact CD1-CZ2 4.3Å; I1226-W1249 HydrophobicContact CD1-CZ3 4.31Å; I1226-W1249 HydrophobicContact CG1-CB 4.05Å; I1226-W1249 HydrophobicContact CG1-CD2 3.68Å; I1226-W1249 HydrophobicContact CG1-CE3 3.69Å; I1226-W1249 HydrophobicContact CG1-CG 3.85Å; I1226-W1249 HydrophobicContact CG1-CZ3 4.42Å; A1245-W1249 WeakPolarHBondContact O-CB 3.36Å; A1245-W1249 PolarHBondContact O-N 2.94Å; V1246-W1249 HydrophobicContact CG2-CE3 4.22Å; V1246-W1249 PolarHBondContact O-N 3.37Å; W1249-Y1251 VanDerWaalsContact C-N 3.33Å; W1249-Y1251 PolarHBondContact O-N 3.37Å; W1249-S1252 WeakPolarHBondContact O-CB 3.14Å; W1249-S1252 PolarHBondContact O-N 3.48Å; W1249-S1252 VanDerWaalsContact O-N 3.15Å; W1249-I1253 HydrophobicContact CD2-CD1 4.01Å; W1249-I1253 HydrophobicContact CE3-CD1 4.35Å; W1249-I1253 HydrophobicContact CH2-CD1 3.9Å; W1249-I1253 HydrophobicContact CZ2-CD1 3.54Å; W1249-I1253 HydrophobicContact CZ3-CD1 4.3Å; W1249-I1253 PolarHBondContact O-N 3.37Å; W1249-I1253 VanDerWaalsContact O-N 3.11Å; W1249-L1310 HydrophobicContact CH2-CD1 4.27Å; W1249-L1310 HydrophobicContact CZ2-CD1 3.73Å; W1249-T1313 HydrophobicContact CH2-CG2 3.99Å; W1249-T1313 HydrophobicContact CZ2-CG2 4.38Å; W1249-M1314 HydrophobicContact CH2-CG 3.89Å; W1249-M1314 HydrophobicContact CZ3-CG 4.34Å; W1249-A1317 HydrophobicContact CZ3-CB 4.37Å |
| 1250 | L | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -57.6 | -46.2 | 175.3 | -74.4 | 169.3 | 0 | 0 | 0 | 111.1 | V1246 W1247 S1252 I1253 V1254 M1314 L1318 V1403 | V1246-L1250 HydrophobicContact CG2-CD1 4.29Å; V1246-L1250 HydrophobicContact CG2-CG 4.49Å; V1246-L1250 WeakPolarHBondContact O-CB 3.28Å; V1246-L1250 VanDerWaalsContact O-CG 3.27Å; V1246-L1250 WeakPolarHBondContact O-CG 3.46Å; V1246-L1250 PolarHBondContact O-N 3.37Å; W1247-L1250 HydrophobicContact CE3-CD1 4.05Å; W1247-L1250 HydrophobicContact CZ3-CD1 4.23Å; L1250-S1252 VanDerWaalsContact C-N 3.32Å; L1250-S1252 PolarHBondContact O-N 2.76Å; L1250-I1253 WeakPolarHBondContact O-CB 3.36Å; L1250-I1253 PolarHBondContact O-N 3Å; L1250-V1254 PolarHBondContact O-N 3.24Å; L1250-V1254 VanDerWaalsContact O-N 3.16Å; L1250-M1314 HydrophobicContact CD2-CB 4.08Å; L1250-M1314 HydrophobicContact CD2-CE 4.27Å; L1250-M1314 HydrophobicContact CD2-CG 4.05Å; L1250-L1318 HydrophobicContact CD1-CD2 3.93Å; L1250-L1318 HydrophobicContact CD1-CG 4.35Å; L1250-V1403 HydrophobicContact CB-CG1 4.14Å; L1250-V1403 HydrophobicContact CB-CG2 3.76Å |
| 1251 | Y | 98.1 | Very high | 91.6 | Very high | 25 Ų | 25 | 12.6 Ų | 12.6 | 10% | 0.098 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.8 | -35.4 | 177.5 | -176.7 | -118.9 | 0 | 0 | 0 | 112.5 | W1247 Y1248 W1249 I1253 V1254 I1255 L1399 A1402 V1494 | W1247-Y1251 VanDerWaalsContact O-CB 3.27Å; W1247-Y1251 WeakPolarHBondContact O-CB 3.42Å; W1247-Y1251 PolarHBondContact O-N 2.9Å; Y1248-Y1251 PolarHBondContact O-N 3.47Å; W1249-Y1251 VanDerWaalsContact C-N 3.33Å; W1249-Y1251 PolarHBondContact O-N 3.37Å; Y1251-I1253 VanDerWaalsContact C-N 3.29Å; Y1251-I1253 PolarHBondContact O-N 3.49Å; Y1251-V1254 WeakPolarHBondContact O-CB 3.5Å; Y1251-V1254 PolarHBondContact O-N 3.08Å; Y1251-I1255 HydrophobicContact CD1-CD1 3.49Å; Y1251-I1255 VanDerWaalsContact CD1-CD1 3.49Å; Y1251-I1255 HydrophobicContact CD1-CG1 4.28Å; Y1251-I1255 HydrophobicContact CD2-CG1 4.47Å; Y1251-I1255 HydrophobicContact CE1-CD1 3.11Å; Y1251-I1255 HydrophobicContact CE1-CG1 3.89Å; Y1251-I1255 HydrophobicContact CE2-CD1 4.2Å; Y1251-I1255 HydrophobicContact CE2-CG1 4.07Å; Y1251-I1255 HydrophobicContact CG-CD1 4.18Å; Y1251-I1255 VanDerWaalsContact CZ-CD1 3.48Å; Y1251-I1255 WeakPolarHBondContact O-CG1 3.38Å; Y1251-I1255 PolarHBondContact O-N 2.57Å; Y1251-L1399 HydrophobicContact CD1-CD2 3.61Å; Y1251-L1399 HydrophobicContact CD2-CD2 4.4Å; Y1251-L1399 HydrophobicContact CE1-CD2 4.35Å; Y1251-L1399 HydrophobicContact CG-CD2 3.66Å; Y1251-A1402 HydrophobicContact CD2-CB 3.87Å; Y1251-A1402 HydrophobicContact CE2-CB 3.8Å; Y1251-V1494 HydrophobicContact CD1-CG1 4.25Å; Y1251-V1494 HydrophobicContact CE1-CB 4.1Å; Y1251-V1494 HydrophobicContact CE1-CG1 3.42Å; Y1251-V1494 VanDerWaalsContact CE1-CG1 3.42Å; Y1251-V1494 HydrophobicContact CE2-CB 3.94Å; Y1251-V1494 HydrophobicContact CE2-CG1 4.21Å; Y1251-V1494 VanDerWaalsContact CZ-CG1 3.43Å; Y1251-V1494 WeakPolarHBondContact OH-CG1 3.32Å |
| 1252 | S | 97.3 | Very high | 90 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.8 | -35.4 | 174.4 | -64 | 0 | 0 | 0 | 0 | 112.3 | F1194 Y1248 W1249 L1250 Y1256 | F1194-S1252 PolarHBondContact O-OG 3.36Å; Y1248-S1252 WeakPolarHBondContact O-CB 3.39Å; Y1248-S1252 PolarHBondContact O-N 3.05Å; Y1248-S1252 PolarHBondContact O-OG 3.21Å; W1249-S1252 WeakPolarHBondContact O-CB 3.14Å; W1249-S1252 PolarHBondContact O-N 3.48Å; W1249-S1252 VanDerWaalsContact O-N 3.15Å; L1250-S1252 VanDerWaalsContact C-N 3.32Å; L1250-S1252 PolarHBondContact O-N 2.76Å; S1252-Y1256 VanDerWaalsContact O-CB 3.28Å; S1252-Y1256 WeakPolarHBondContact O-CB 3.41Å; S1252-Y1256 PolarHBondContact O-N 3.46Å |
| 1253 | I | 95.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.4 | -44.6 | 173.5 | -63.2 | 163.8 | 0 | 0 | 0 | 110.6 | I1214 W1249 L1250 Y1251 I1255 Y1256 E1257 I1276 L1277 L1310 M1314 | I1214-I1253 HydrophobicContact CG2-CD1 4.1Å; I1214-I1253 HydrophobicContact CG2-CG1 3.61Å; W1249-I1253 HydrophobicContact CD2-CD1 4.01Å; W1249-I1253 HydrophobicContact CE3-CD1 4.35Å; W1249-I1253 HydrophobicContact CH2-CD1 3.9Å; W1249-I1253 HydrophobicContact CZ2-CD1 3.54Å; W1249-I1253 HydrophobicContact CZ3-CD1 4.3Å; W1249-I1253 PolarHBondContact O-N 3.37Å; W1249-I1253 VanDerWaalsContact O-N 3.11Å; L1250-I1253 WeakPolarHBondContact O-CB 3.36Å; L1250-I1253 PolarHBondContact O-N 3Å; Y1251-I1253 VanDerWaalsContact C-N 3.29Å; Y1251-I1253 PolarHBondContact O-N 3.49Å; I1253-I1255 VanDerWaalsContact C-N 3.34Å; I1253-I1255 PolarHBondContact O-N 2.73Å; I1253-Y1256 WeakPolarHBondContact O-CB 3.15Å; I1253-Y1256 PolarHBondContact O-N 3.48Å; I1253-E1257 WeakPolarHBondContact O-CB 3.27Å; I1253-E1257 WeakPolarHBondContact O-CG 3.33Å; I1253-E1257 PolarHBondContact O-N 2.78Å; I1253-I1276 HydrophobicContact CG2-CG2 4.22Å; I1253-L1277 HydrophobicContact CG2-CD2 3.96Å; I1253-L1310 HydrophobicContact CD1-CD1 4.19Å; I1253-L1310 HydrophobicContact CD1-CD2 4.14Å; I1253-L1310 HydrophobicContact CD1-CG 4.4Å; I1253-L1310 HydrophobicContact CG1-CD2 4.35Å; I1253-L1310 HydrophobicContact CG2-CD2 4.34Å; I1253-M1314 HydrophobicContact CB-CE 4.42Å; I1253-M1314 HydrophobicContact CD1-CE 4.38Å; I1253-M1314 HydrophobicContact CD1-CG 3.83Å; I1253-M1314 HydrophobicContact CD1-SD 3.9Å; I1253-M1314 HydrophobicContact CG2-CE 3.94Å; I1253-M1314 HydrophobicContact CG2-SD 3.81Å |
| 1254 | V | 94.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.6 | -48.3 | 175.8 | 173 | 0 | 0 | 0 | 0 | 110.8 | L1250 Y1251 E1257 Q1258 V1403 W1406 | L1250-V1254 PolarHBondContact O-N 3.24Å; L1250-V1254 VanDerWaalsContact O-N 3.16Å; Y1251-V1254 WeakPolarHBondContact O-CB 3.5Å; Y1251-V1254 PolarHBondContact O-N 3.08Å; V1254-E1257 PolarHBondContact O-N 2.87Å; V1254-Q1258 VanDerWaalsContact O-CG 3.28Å; V1254-Q1258 WeakPolarHBondContact O-CG 3.47Å; V1254-Q1258 PolarHBondContact O-N 2.93Å; V1254-V1403 HydrophobicContact CG2-CG2 4.19Å; V1254-W1406 HydrophobicContact CB-CD2 4.34Å; V1254-W1406 HydrophobicContact CB-CG 4.44Å; V1254-W1406 HydrophobicContact CG1-CB 3.85Å; V1254-W1406 HydrophobicContact CG1-CD2 3.89Å; V1254-W1406 HydrophobicContact CG1-CG 3.54Å; V1254-W1406 HydrophobicContact CG2-CB 4.32Å; V1254-W1406 HydrophobicContact CG2-CD2 3.89Å; V1254-W1406 HydrophobicContact CG2-CE3 3.69Å; V1254-W1406 HydrophobicContact CG2-CG 4.18Å; V1254-W1406 HydrophobicContact CG2-CZ3 4.29Å |
| 1255 | I | 93.1 | Very high | 84 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 177.5 | -64.8 | 164.9 | 0 | 0 | 0 | 110.3 | R1198 L1202 Y1251 I1253 E1257 Q1258 F1259 | R1198-I1255 HydrophobicContact CB-CD1 4.31Å; R1198-I1255 HydrophobicContact CB-CG2 4.31Å; R1198-I1255 HydrophobicContact CG-CG2 4Å; L1202-I1255 HydrophobicContact CD1-CB 4.26Å; L1202-I1255 HydrophobicContact CD1-CG2 3.56Å; Y1251-I1255 HydrophobicContact CD1-CD1 3.49Å; Y1251-I1255 VanDerWaalsContact CD1-CD1 3.49Å; Y1251-I1255 HydrophobicContact CD1-CG1 4.28Å; Y1251-I1255 HydrophobicContact CD2-CG1 4.47Å; Y1251-I1255 HydrophobicContact CE1-CD1 3.11Å; Y1251-I1255 HydrophobicContact CE1-CG1 3.89Å; Y1251-I1255 HydrophobicContact CE2-CD1 4.2Å; Y1251-I1255 HydrophobicContact CE2-CG1 4.07Å; Y1251-I1255 HydrophobicContact CG-CD1 4.18Å; Y1251-I1255 VanDerWaalsContact CZ-CD1 3.48Å; Y1251-I1255 WeakPolarHBondContact O-CG1 3.38Å; Y1251-I1255 PolarHBondContact O-N 2.57Å; I1253-I1255 VanDerWaalsContact C-N 3.34Å; I1253-I1255 PolarHBondContact O-N 2.73Å; I1255-E1257 VanDerWaalsContact C-N 3.28Å; I1255-E1257 PolarHBondContact O-N 3.47Å; I1255-Q1258 WeakPolarHBondContact O-CB 3.38Å; I1255-Q1258 PolarHBondContact O-N 3.47Å; I1255-Q1258 VanDerWaalsContact O-N 3.13Å; I1255-F1259 HydrophobicContact CG2-CD2 3.53Å; I1255-F1259 HydrophobicContact CG2-CE2 3.53Å; I1255-F1259 WeakPolarHBondContact O-CD2 3.4Å; I1255-F1259 PolarHBondContact O-N 3.18Å |
| 1256 | Y | 91.9 | Very high | 81.8 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53 | -49.3 | 177.8 | -177.1 | -79.4 | 0 | 0 | 0 | 111.1 | L1202 Y1207 A1210 A1211 I1214 S1252 I1253 Q1258 F1259 V1260 L1268 I1276 | L1202-Y1256 HydrophobicContact CD2-CD2 3.7Å; L1202-Y1256 HydrophobicContact CD2-CE2 4.28Å; Y1207-Y1256 WeakPolarHBondContact O-CE2 3.47Å; A1210-Y1256 HydrophobicContact CB-CD2 4.23Å; A1210-Y1256 HydrophobicContact CB-CE2 4.33Å; A1211-Y1256 HydrophobicContact CB-CE2 3.94Å; I1214-Y1256 HydrophobicContact CD1-CD2 4.07Å; I1214-Y1256 HydrophobicContact CD1-CG 4.31Å; S1252-Y1256 VanDerWaalsContact O-CB 3.28Å; S1252-Y1256 WeakPolarHBondContact O-CB 3.41Å; S1252-Y1256 PolarHBondContact O-N 3.46Å; I1253-Y1256 WeakPolarHBondContact O-CB 3.15Å; I1253-Y1256 PolarHBondContact O-N 3.48Å; Y1256-Q1258 PolarHBondContact O-N 2.95Å; Y1256-F1259 PolarHBondContact O-N 2.84Å; Y1256-V1260 HydrophobicContact CD1-CG2 3.9Å; Y1256-V1260 HydrophobicContact CE1-CB 4.37Å; Y1256-V1260 HydrophobicContact CE1-CG2 3.39Å; Y1256-V1260 WeakPolarHBondContact O-CG2 3.42Å; Y1256-V1260 PolarHBondContact O-N 3.18Å; Y1256-L1268 WeakPolarHBondContact OH-CD2 3.41Å; Y1256-I1276 HydrophobicContact CD1-CB 3.86Å; Y1256-I1276 HydrophobicContact CD1-CD1 4.19Å; Y1256-I1276 HydrophobicContact CD1-CG2 3.47Å; Y1256-I1276 VanDerWaalsContact CD1-CG2 3.47Å; Y1256-I1276 HydrophobicContact CD2-CD1 4.44Å; Y1256-I1276 HydrophobicContact CE1-CB 3.63Å; Y1256-I1276 HydrophobicContact CE1-CD1 4.07Å; Y1256-I1276 HydrophobicContact CE1-CG1 4.35Å; Y1256-I1276 HydrophobicContact CE1-CG2 3.81Å; Y1256-I1276 HydrophobicContact CE2-CD1 4.35Å; Y1256-I1276 HydrophobicContact CG-CD1 4.4Å; Y1256-I1276 HydrophobicContact CG-CG2 4.29Å |
| 1257 | E | 87.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 178.2 | -77.8 | -64.9 | 163.1 | 0 | 0 | 112.7 | I1253 V1254 I1255 F1259 S1261 S1275 I1276 L1277 W1406 Y1420 | I1253-E1257 WeakPolarHBondContact O-CB 3.27Å; I1253-E1257 WeakPolarHBondContact O-CG 3.33Å; I1253-E1257 PolarHBondContact O-N 2.78Å; V1254-E1257 PolarHBondContact O-N 2.87Å; I1255-E1257 VanDerWaalsContact C-N 3.28Å; I1255-E1257 PolarHBondContact O-N 3.47Å; E1257-F1259 PolarHBondContact O-N 3.42Å; E1257-S1261 WeakPolarHBondContact O-CB 3.12Å; E1257-S1261 PolarHBondContact O-N 3.26Å; E1257-S1261 PolarHBondContact O-OG 3.1Å; E1257-S1275 PolarHBondContact OE1-OG 3.43Å; E1257-I1276 HydrophobicContact CG-CG2 4.18Å; E1257-I1276 VanDerWaalsContact OE1-CG2 3.3Å; E1257-I1276 WeakPolarHBondContact OE1-CG2 3.2Å; E1257-I1276 PolarHBondContact OE1-N 2.83Å; E1257-L1277 HydrophobicContact CG-CG 4.3Å; E1257-W1406 HydrophobicContact CB-CH2 4.24Å; E1257-W1406 HydrophobicContact CB-CZ2 3.7Å; E1257-W1406 HydrophobicContact CG-CH2 4.1Å; E1257-W1406 HydrophobicContact CG-CZ2 4.06Å; E1257-Y1420 WeakPolarHBondContact OE2-CE1 3.44Å; E1257-Y1420 PolarHBondContact OE2-OH 2.9Å |
| 1258 | Q | 84.3 | Confident | 77.8 | Confident | 97 Ų | 97 | 49.8 Ų | 49.8 | 45% | 0.453 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 174.5 | -70.6 | 171.3 | 0.7 | 0 | 0 | 112.5 | V1254 I1255 Y1256 S1262 | V1254-Q1258 VanDerWaalsContact O-CG 3.28Å; V1254-Q1258 WeakPolarHBondContact O-CG 3.47Å; V1254-Q1258 PolarHBondContact O-N 2.93Å; I1255-Q1258 WeakPolarHBondContact O-CB 3.38Å; I1255-Q1258 PolarHBondContact O-N 3.47Å; I1255-Q1258 VanDerWaalsContact O-N 3.13Å; Y1256-Q1258 PolarHBondContact O-N 2.95Å; Q1258-S1262 PolarHBondContact O-N 2.75Å |
| 1259 | F | 79.5 | Confident | 75.8 | Confident | 30 Ų | 30 | 57 Ų | 57 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.8 | -47.5 | 176.5 | -91.3 | -94.4 | 0 | 0 | 0 | 111.9 | R1198 L1202 L1203 Y1207 I1255 Y1256 E1257 S1262 T1263 | R1198-F1259 HydrophobicContact CG-CE2 4.29Å; L1202-F1259 HydrophobicContact CB-CD1 4.41Å; L1202-F1259 HydrophobicContact CB-CD2 4.27Å; L1202-F1259 HydrophobicContact CB-CE1 4.44Å; L1202-F1259 HydrophobicContact CB-CE2 4.29Å; L1202-F1259 HydrophobicContact CB-CG 4.32Å; L1202-F1259 HydrophobicContact CB-CZ 4.38Å; L1202-F1259 HydrophobicContact CD1-CD2 4.25Å; L1203-F1259 HydrophobicContact CD2-CE1 3.82Å; L1203-F1259 HydrophobicContact CD2-CZ 3.56Å; L1203-F1259 HydrophobicContact CG-CE1 4.43Å; L1203-F1259 HydrophobicContact CG-CZ 3.98Å; Y1207-F1259 HydrophobicContact CE1-CB 4.26Å; Y1207-F1259 HydrophobicContact CE1-CD1 4.21Å; I1255-F1259 HydrophobicContact CG2-CD2 3.53Å; I1255-F1259 HydrophobicContact CG2-CE2 3.53Å; I1255-F1259 WeakPolarHBondContact O-CD2 3.4Å; I1255-F1259 PolarHBondContact O-N 3.18Å; Y1256-F1259 PolarHBondContact O-N 2.84Å; E1257-F1259 PolarHBondContact O-N 3.42Å; F1259-S1262 PolarHBondContact O-N 3.44Å; F1259-S1262 PolarHBondContact O-OG 2.87Å; F1259-T1263 PolarHBondContact O-N 2.83Å; F1259-T1263 PolarHBondContact O-OG1 3.3Å |
| 1260 | V | 73 | Confident | 73.5 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 9% | 0.085 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 179.7 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | Y1256 S1262 T1263 C1266 | Y1256-V1260 HydrophobicContact CD1-CG2 3.9Å; Y1256-V1260 HydrophobicContact CE1-CB 4.37Å; Y1256-V1260 HydrophobicContact CE1-CG2 3.39Å; Y1256-V1260 WeakPolarHBondContact O-CG2 3.42Å; Y1256-V1260 PolarHBondContact O-N 3.18Å; V1260-S1262 PolarHBondContact O-N 2.56Å; V1260-S1262 VanDerWaalsContact O-N 3.15Å; V1260-T1263 CarbonylContact O-C 3.31Å; V1260-T1263 PolarHBondContact O-N 3.43Å; V1260-T1263 PolarHBondContact O-OG1 3.22Å; V1260-C1266 HydrophobicContact CB-CB 4.33Å; V1260-C1266 HydrophobicContact CG1-CB 3.93Å; V1260-C1266 HydrophobicContact CG2-CB 3.88Å |
| 1261 | S | 64.9 | Low | 71.3 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -28.4 | 175.7 | -60.3 | 0 | 0 | 0 | 0 | 113 | E1257 Y1417 | E1257-S1261 WeakPolarHBondContact O-CB 3.12Å; E1257-S1261 PolarHBondContact O-N 3.26Å; E1257-S1261 PolarHBondContact O-OG 3.1Å; S1261-Y1417 VanDerWaalsContact CB-OH 3.23Å; S1261-Y1417 WeakPolarHBondContact CB-OH 3.45Å; S1261-Y1417 PolarHBondContact OG-OH 2.99Å |
| 1262 | S | 58.4 | Low | 69.1 | Low | 89 Ų | 89 | 69 Ų | 69 | 62% | 0.622 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -81.7 | -15.3 | 176.5 | 77.7 | 0 | 0 | 0 | 0 | 114.2 | Q1258 F1259 V1260 | Q1258-S1262 PolarHBondContact O-N 2.75Å; F1259-S1262 PolarHBondContact O-N 3.44Å; F1259-S1262 PolarHBondContact O-OG 2.87Å; V1260-S1262 PolarHBondContact O-N 2.56Å; V1260-S1262 VanDerWaalsContact O-N 3.15Å |
| 1263 | T | 56.2 | Low | 67.1 | Low | 41 Ų | 41 | 69.9 Ų | 69.9 | 25% | 0.252 | 36% | 0.363 | S | S | . | . | trans | -121 | 109.3 | -173.1 | 51.3 | 0 | 0 | 0 | 0 | 110.5 | F1259 V1260 E1265 C1266 | F1259-T1263 PolarHBondContact O-N 2.83Å; F1259-T1263 PolarHBondContact O-OG1 3.3Å; V1260-T1263 CarbonylContact O-C 3.31Å; V1260-T1263 PolarHBondContact O-N 3.43Å; V1260-T1263 PolarHBondContact O-OG1 3.22Å; T1263-E1265 PolarHBondContact O-N 3.09Å; T1263-C1266 PolarHBondContact OG1-SG 2.68Å | ||
| 1264 | K | 51.4 | Low | 65.7 | Low | 223 Ų | 223 | 74.4 Ų | 74.4 | 97% | 0.97 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -1.3 | 178 | -71.1 | -173.8 | 177 | -178.5 | 0 | 114.7 | ||
| 1265 | E | 49.6 | Very low | 65.1 | Low | 184 Ų | 184 | 74.5 Ų | 74.5 | 86% | 0.86 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -4.5 | -167.2 | -65.7 | -177.5 | 167.1 | 0 | 0 | 114.3 | T1263 R1267 | T1263-E1265 PolarHBondContact O-N 3.09Å; E1265-R1267 PolarHBondContact O-N 2.85Å |
| 1266 | C | 51.4 | Low | 64.9 | Low | 29 Ų | 29 | 74.3 Ų | 74.3 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | trans | -95.2 | 90.3 | -174 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | Y1207 V1260 T1263 | Y1207-C1266 WeakPolarHBondContact CD2-SG 3.26Å; Y1207-C1266 VanDerWaalsContact CE2-SG 3.52Å; V1260-C1266 HydrophobicContact CB-CB 4.33Å; V1260-C1266 HydrophobicContact CG1-CB 3.93Å; V1260-C1266 HydrophobicContact CG2-CB 3.88Å; T1263-C1266 PolarHBondContact OG1-SG 2.68Å | ||
| 1267 | R | 53.1 | Low | 64.7 | Low | 222 Ų | 222 | 74 Ų | 74 | 84% | 0.838 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -100 | 135.2 | 157.7 | -68.2 | -173.4 | -176.4 | -170.6 | -0.9 | 108.4 | E1265 | E1265-R1267 PolarHBondContact O-N 2.85Š|
| 1268 | L | 59.3 | Low | 64.7 | Low | 19 Ų | 19 | 77.7 Ų | 77.7 | 10% | 0.099 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 136.5 | 171 | -74.6 | 166.4 | 0 | 0 | 0 | 109.2 | A1211 Y1256 G1270 D1271 I1276 C1279 | A1211-L1268 HydrophobicContact CB-CD2 3.47Å; A1211-L1268 VanDerWaalsContact CB-CD2 3.47Å; Y1256-L1268 WeakPolarHBondContact OH-CD2 3.41Å; L1268-G1270 PolarHBondContact O-N 2.87Å; L1268-D1271 HydrophobicContact CB-CB 4.33Å; L1268-D1271 PolarHBondContact O-N 3.42Å; L1268-I1276 HydrophobicContact CD1-CB 4.42Å; L1268-I1276 HydrophobicContact CD1-CG1 4.3Å; L1268-C1279 WeakPolarHBondContact CD1-SG 3.2Å |
| 1269 | E | 54.7 | Low | 64.8 | Low | 154 Ų | 154 | 73.3 Ų | 73.3 | 72% | 0.72 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 123.3 | 175.4 | -72.4 | -174.7 | 165.6 | 0 | 0 | 110.1 | ||
| 1270 | G | 50 | Low | 65.3 | Low | 66 Ų | 66 | 73.8 Ų | 73.8 | 68% | 0.68 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | 1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1268 | L1268-G1270 PolarHBondContact O-N 2.87Š|
| 1271 | D | 52.5 | Low | 66.1 | Low | 40 Ų | 40 | 73.3 Ų | 73.3 | 21% | 0.214 | 40% | 0.396 | C | S | . | . | trans | -129.6 | 122.4 | 176.3 | -168 | -5.6 | 0 | 0 | 0 | 111.3 | L1268 S1273 C1279 | L1268-D1271 HydrophobicContact CB-CB 4.33Å; L1268-D1271 PolarHBondContact O-N 3.42Å; D1271-S1273 PolarHBondContact O-N 2.76Å; D1271-S1273 VanDerWaalsContact OD1-CB 3.28Å; D1271-S1273 WeakPolarHBondContact OD1-CB 3.31Å; D1271-S1273 PolarHBondContact OD1-N 3.05Å; D1271-S1273 PolarHBondContact OD1-OG 2.93Å; D1271-S1273 PolarHBondContact OD2-OG 3.35Å; D1271-C1279 WeakPolarHBondContact OD2-CA 3.29Å; D1271-C1279 PolarHBondContact OD2-SG 3.43Å | ||
| 1272 | D | 52.5 | Low | 67.3 | Low | 171 Ų | 171 | 70.9 Ų | 70.9 | 91% | 0.914 | 38% | 0.378 | S | S | * | . | trans | -73.5 | -4.8 | 176.3 | -76.2 | -33.8 | 0 | 0 | 0 | 112.5 | ||||
| 1273 | S | 55.1 | Low | 68.9 | Low | 21 Ų | 21 | 66.7 Ų | 66.7 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | trans | -69.8 | 132.2 | 179.1 | 77.7 | 0 | 0 | 0 | 0 | 112.4 | D1271 S1275 | D1271-S1273 PolarHBondContact O-N 2.76Å; D1271-S1273 VanDerWaalsContact OD1-CB 3.28Å; D1271-S1273 WeakPolarHBondContact OD1-CB 3.31Å; D1271-S1273 PolarHBondContact OD1-N 3.05Å; D1271-S1273 PolarHBondContact OD1-OG 2.93Å; D1271-S1273 PolarHBondContact OD2-OG 3.35Å; S1273-S1275 PolarHBondContact O-N 2.75Å; S1273-S1275 PolarHBondContact OG-O 3.03Å; S1273-S1275 VanDerWaalsContact OG-O 3.05Å | ||
| 1274 | S | 66.2 | Low | 70.5 | Confident | 95 Ų | 95 | 64.8 Ų | 64.8 | 66% | 0.664 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -74.4 | 2.2 | 177.2 | 59.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1275 | S | 83 | Confident | 72.4 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -152.7 | 137.3 | -167.8 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | E1257 S1273 L1277 N1278 Y1420 | E1257-S1275 PolarHBondContact OE1-OG 3.43Å; S1273-S1275 PolarHBondContact O-N 2.75Å; S1273-S1275 PolarHBondContact OG-O 3.03Å; S1273-S1275 VanDerWaalsContact OG-O 3.05Å; S1275-L1277 PolarHBondContact O-N 3.26Å; S1275-L1277 VanDerWaalsContact O-N 3.14Å; S1275-L1277 VanDerWaalsContact OG-CB 3.27Å; S1275-L1277 WeakPolarHBondContact OG-CB 3.31Å; S1275-L1277 VanDerWaalsContact OG-CG 3.3Å; S1275-L1277 WeakPolarHBondContact OG-CG 3.4Å; S1275-L1277 PolarHBondContact OG-N 3.44Å; S1275-N1278 PolarHBondContact O-N 3.46Å; S1275-Y1420 WeakPolarHBondContact CB-OH 3.36Å; S1275-Y1420 PolarHBondContact OG-OH 3.11Å |
| 1276 | I | 87.1 | Confident | 74.3 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -63.4 | -22.7 | 178.1 | -162.8 | 174.5 | 0 | 0 | 0 | 111.9 | A1211 I1214 L1215 I1253 Y1256 E1257 L1268 N1278 C1279 L1310 | A1211-I1276 HydrophobicContact CB-CD1 3.65Å; I1214-I1276 HydrophobicContact CB-CD1 4.22Å; I1214-I1276 HydrophobicContact CD1-CD1 4.27Å; I1214-I1276 HydrophobicContact CG2-CD1 3.95Å; L1215-I1276 HydrophobicContact CD2-CG1 4.3Å; L1215-I1276 HydrophobicContact CG-CD1 4.4Å; L1215-I1276 HydrophobicContact CG-CG1 4.47Å; I1253-I1276 HydrophobicContact CG2-CG2 4.22Å; Y1256-I1276 HydrophobicContact CD1-CB 3.86Å; Y1256-I1276 HydrophobicContact CD1-CD1 4.19Å; Y1256-I1276 HydrophobicContact CD1-CG2 3.47Å; Y1256-I1276 VanDerWaalsContact CD1-CG2 3.47Å; Y1256-I1276 HydrophobicContact CD2-CD1 4.44Å; Y1256-I1276 HydrophobicContact CE1-CB 3.63Å; Y1256-I1276 HydrophobicContact CE1-CD1 4.07Å; Y1256-I1276 HydrophobicContact CE1-CG1 4.35Å; Y1256-I1276 HydrophobicContact CE1-CG2 3.81Å; Y1256-I1276 HydrophobicContact CE2-CD1 4.35Å; Y1256-I1276 HydrophobicContact CG-CD1 4.4Å; Y1256-I1276 HydrophobicContact CG-CG2 4.29Å; E1257-I1276 HydrophobicContact CG-CG2 4.18Å; E1257-I1276 VanDerWaalsContact OE1-CG2 3.3Å; E1257-I1276 WeakPolarHBondContact OE1-CG2 3.2Å; E1257-I1276 PolarHBondContact OE1-N 2.83Å; L1268-I1276 HydrophobicContact CD1-CB 4.42Å; L1268-I1276 HydrophobicContact CD1-CG1 4.3Å; I1276-N1278 PolarHBondContact O-N 3.23Å; I1276-N1278 VanDerWaalsContact O-N 3.16Å; I1276-C1279 WeakPolarHBondContact O-CB 3.46Å; I1276-C1279 PolarHBondContact O-N 3.01Å; I1276-C1279 VanDerWaalsContact O-N 3.08Å; I1276-L1310 HydrophobicContact CB-CD2 4.41Å; I1276-L1310 HydrophobicContact CD1-CD2 4.35Å; I1276-L1310 HydrophobicContact CG1-CD2 3.87Å; I1276-L1310 HydrophobicContact CG2-CD2 4.06Å; I1276-L1310 WeakPolarHBondContact O-CB 3.45Å; I1276-L1310 WeakPolarHBondContact O-CD2 3.33Å |
| 1277 | L | 89.7 | Confident | 76 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -57.2 | -28.6 | 177.4 | -61.1 | 175.5 | 0 | 0 | 0 | 113.3 | I1253 E1257 S1275 L1310 H1311 M1314 W1406 Y1420 Y1421 | I1253-L1277 HydrophobicContact CG2-CD2 3.96Å; E1257-L1277 HydrophobicContact CG-CG 4.3Å; S1275-L1277 PolarHBondContact O-N 3.26Å; S1275-L1277 VanDerWaalsContact O-N 3.14Å; S1275-L1277 VanDerWaalsContact OG-CB 3.27Å; S1275-L1277 WeakPolarHBondContact OG-CB 3.31Å; S1275-L1277 VanDerWaalsContact OG-CG 3.3Å; S1275-L1277 WeakPolarHBondContact OG-CG 3.4Å; S1275-L1277 PolarHBondContact OG-N 3.44Å; L1277-L1310 PolarHBondContact O-N 3.31Å; L1277-L1310 VanDerWaalsContact O-N 3.16Å; L1277-H1311 HydrophobicContact CB-CB 4.17Å; L1277-H1311 PolarHBondContact O-CD2 2.76Å; L1277-H1311 VanDerWaalsContact O-CD2 3.28Å; L1277-H1311 PolarHBondContact O-N 2.77Å; L1277-M1314 HydrophobicContact CD2-CE 4.13Å; L1277-M1314 HydrophobicContact CD2-SD 3.49Å; L1277-M1314 WeakPolarHBondContact CD2-SD 3.49Å; L1277-W1406 HydrophobicContact CD1-CH2 4.08Å; L1277-W1406 HydrophobicContact CD2-CH2 4.36Å; L1277-Y1420 HydrophobicContact CD1-CD1 3.7Å; L1277-Y1420 HydrophobicContact CD1-CE1 3.56Å; L1277-Y1421 HydrophobicContact CD1-CD2 4.36Å; L1277-Y1421 HydrophobicContact CD2-CD2 4.46Å |
| 1278 | N | 86.9 | Confident | 77.6 | Confident | 78 Ų | 78 | 42.7 Ų | 42.7 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -93.8 | -8.6 | -178.3 | -68.1 | -49.6 | 0 | 0 | 0 | 113.1 | S1275 I1276 | S1275-N1278 PolarHBondContact O-N 3.46Å; I1276-N1278 PolarHBondContact O-N 3.23Å; I1276-N1278 VanDerWaalsContact O-N 3.16Å |
| 1279 | C | 87.2 | Confident | 78.9 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.027 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -60.6 | 138.9 | -180 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | L1215 L1268 D1271 I1276 V1281 P1309 L1310 | L1215-C1279 HydrophobicContact CD1-CB 3.88Å; L1215-C1279 HydrophobicContact CD2-CB 3.7Å; L1215-C1279 HydrophobicContact CG-CB 4.45Å; L1268-C1279 WeakPolarHBondContact CD1-SG 3.2Å; D1271-C1279 WeakPolarHBondContact OD2-CA 3.29Å; D1271-C1279 PolarHBondContact OD2-SG 3.43Å; I1276-C1279 WeakPolarHBondContact O-CB 3.46Å; I1276-C1279 PolarHBondContact O-N 3.01Å; I1276-C1279 VanDerWaalsContact O-N 3.08Å; C1279-V1281 PolarHBondContact O-N 3.32Å; C1279-P1309 WeakPolarHBondContact O-CA 3.48Å; C1279-L1310 PolarHBondContact O-N 2.91Å |
| 1280 | P | 88.4 | Confident | 80.4 | Confident | 41 Ų | 41 | 42.1 Ų | 42.1 | 27% | 0.266 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 127.9 | 178.2 | 27.5 | -33.4 | 0 | 0 | 0 | 111.5 | V1155 I1307 | V1155-P1280 HydrophobicContact CB-CB 4.02Å; V1155-P1280 HydrophobicContact CB-CG 3.92Å; V1155-P1280 HydrophobicContact CG1-CB 3.98Å; V1155-P1280 HydrophobicContact CG1-CG 3.89Å; V1155-P1280 HydrophobicContact CG2-CB 4.44Å; P1280-I1307 HydrophobicContact CB-CG2 3.69Å |
| 1281 | V | 90.5 | Very high | 81.8 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.7 | 172.7 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | L1215 A1218 C1279 I1307 Q1308 L1310 | L1215-V1281 HydrophobicContact CD2-CG2 3.79Å; A1218-V1281 HydrophobicContact CB-CG1 3.83Å; A1218-V1281 HydrophobicContact CB-CG2 4Å; C1279-V1281 PolarHBondContact O-N 3.32Å; V1281-I1307 WeakPolarHBondContact O-CA 3.42Å; V1281-Q1308 WeakPolarHBondContact CA-O 3.13Å; V1281-Q1308 WeakPolarHBondContact CB-O 3.4Å; V1281-Q1308 PolarHBondContact N-O 3.34Å; V1281-Q1308 PolarHBondContact O-N 3.28Å; V1281-L1310 HydrophobicContact CG2-CB 4Å; V1281-L1310 HydrophobicContact CG2-CD1 4Å |
| 1282 | Y | 90.8 | Very high | 83.3 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 120.2 | 169.3 | -173 | -94.3 | 0 | 0 | 0 | 109.6 | P1165 I1167 S1219 W1284 L1302 S1303 R1306 I1307 | P1165-Y1282 HydrophobicContact CG-CD2 4.29Å; P1165-Y1282 HydrophobicContact CG-CE2 4.16Å; I1167-Y1282 HydrophobicContact CD1-CD1 3.7Å; I1167-Y1282 HydrophobicContact CD1-CD2 3.67Å; I1167-Y1282 HydrophobicContact CD1-CE1 4.03Å; I1167-Y1282 HydrophobicContact CD1-CE2 4Å; I1167-Y1282 HydrophobicContact CD1-CG 3.49Å; I1167-Y1282 VanDerWaalsContact CD1-CG 3.49Å; S1219-Y1282 VanDerWaalsContact CA-O 3.23Å; S1219-Y1282 WeakPolarHBondContact CA-O 3.28Å; S1219-Y1282 WeakPolarHBondContact CB-O 3.18Å; Y1282-W1284 AromaticContact CD1-CD2 3.86Å; Y1282-W1284 HydrophobicContact CD1-CD2 3.86Å; Y1282-W1284 AromaticContact CD1-CE2 3.71Å; Y1282-W1284 HydrophobicContact CD1-CE3 4.22Å; Y1282-W1284 HydrophobicContact CD1-CG 4.29Å; Y1282-W1284 HydrophobicContact CD1-CH2 4.16Å; Y1282-W1284 AromaticContact CD1-CZ2 3.88Å; Y1282-W1284 HydrophobicContact CD1-CZ2 3.88Å; Y1282-W1284 HydrophobicContact CD1-CZ3 4.37Å; Y1282-W1284 AromaticContact CE1-CD2 3.83Å; Y1282-W1284 HydrophobicContact CE1-CD2 3.83Å; Y1282-W1284 AromaticContact CE1-CE2 3.98Å; Y1282-W1284 AromaticContact CE1-CE3 3.7Å; Y1282-W1284 HydrophobicContact CE1-CE3 3.7Å; Y1282-W1284 AromaticContact CE1-CH2 3.74Å; Y1282-W1284 HydrophobicContact CE1-CH2 3.74Å; Y1282-W1284 AromaticContact CE1-CZ2 3.95Å; Y1282-W1284 HydrophobicContact CE1-CZ2 3.95Å; Y1282-W1284 AromaticContact CE1-CZ3 3.66Å; Y1282-W1284 HydrophobicContact CE1-CZ3 3.66Å; Y1282-W1284 PolarHBondContact O-N 2.88Å; Y1282-L1302 HydrophobicContact CE1-CD2 4.28Å; Y1282-L1302 HydrophobicContact CE2-CD2 4.2Å; Y1282-S1303 WeakPolarHBondContact CE2-O 3.28Å; Y1282-R1306 HydrophobicContact CD2-CB 4.2Å; Y1282-R1306 HydrophobicContact CE2-CB 3.83Å; Y1282-I1307 HydrophobicContact CD2-CG1 3.99Å |
| 1283 | R | 92.1 | Very high | 84.7 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | trans | -85.4 | 106.4 | 180 | -64.9 | -56 | -57.8 | -96.6 | -14.8 | 110.5 | L1221 F1285 P1286 R1306 Q1308 E1316 | L1221-R1283 PolarHBondContact O-NH2 3.21Å; R1283-F1285 VanDerWaalsContact C-N 3.26Å; R1283-F1285 PolarHBondContact NH2-O 2.91Å; R1283-F1285 PolarHBondContact O-N 3.38Å; R1283-P1286 HydrophobicContact CB-CG 4.26Å; R1283-P1286 WeakPolarHBondContact O-CD 3.33Å; R1283-P1286 WeakPolarHBondContact O-CG 3.49Å; R1283-R1306 WeakPolarHBondContact CB-O 3.43Å; R1283-R1306 PolarHBondContact N-O 3.44Å; R1283-R1306 WeakPolarHBondContact O-CD 3.41Å; R1283-Q1308 HydrophobicContact CG-CG 3.89Å; R1283-E1316 IonicContact CZ-OE1 3.49Å; R1283-E1316 IonicContact CZ-OE2 2.87Å; R1283-E1316 IonicContact NH1-OE1 2.86Å; R1283-E1316 IonicContact NH1-OE2 3.68Å; R1283-E1316 PolarHBondContact NH1-OE2 3.24Å; R1283-E1316 IonicContact NH2-OE1 3.29Å; R1283-E1316 PolarHBondContact NH2-OE1 2.96Å; R1283-E1316 IonicContact NH2-OE2 2.82Å; R1283-E1316 PolarHBondContact NH2-OE2 2.95Å | ||
| 1284 | W | 89.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -67.4 | -30.3 | 172.8 | -72.1 | 110.7 | 0 | 0 | 0 | 112.5 | I1167 S1219 L1220 Y1282 G1292 W1293 D1296 Y1297 L1302 | I1167-W1284 HydrophobicContact CD1-CH2 4.28Å; I1167-W1284 HydrophobicContact CD1-CZ2 4.03Å; S1219-W1284 WeakPolarHBondContact O-CB 3.22Å; S1219-W1284 PolarHBondContact O-N 3.33Å; S1219-W1284 VanDerWaalsContact OG-CD1 3.26Å; L1220-W1284 HydrophobicContact CD2-CB 4.29Å; L1220-W1284 HydrophobicContact CD2-CG 4.33Å; Y1282-W1284 AromaticContact CD1-CD2 3.86Å; Y1282-W1284 HydrophobicContact CD1-CD2 3.86Å; Y1282-W1284 AromaticContact CD1-CE2 3.71Å; Y1282-W1284 HydrophobicContact CD1-CE3 4.22Å; Y1282-W1284 HydrophobicContact CD1-CG 4.29Å; Y1282-W1284 HydrophobicContact CD1-CH2 4.16Å; Y1282-W1284 AromaticContact CD1-CZ2 3.88Å; Y1282-W1284 HydrophobicContact CD1-CZ2 3.88Å; Y1282-W1284 HydrophobicContact CD1-CZ3 4.37Å; Y1282-W1284 AromaticContact CE1-CD2 3.83Å; Y1282-W1284 HydrophobicContact CE1-CD2 3.83Å; Y1282-W1284 AromaticContact CE1-CE2 3.98Å; Y1282-W1284 AromaticContact CE1-CE3 3.7Å; Y1282-W1284 HydrophobicContact CE1-CE3 3.7Å; Y1282-W1284 AromaticContact CE1-CH2 3.74Å; Y1282-W1284 HydrophobicContact CE1-CH2 3.74Å; Y1282-W1284 AromaticContact CE1-CZ2 3.95Å; Y1282-W1284 HydrophobicContact CE1-CZ2 3.95Å; Y1282-W1284 AromaticContact CE1-CZ3 3.66Å; Y1282-W1284 HydrophobicContact CE1-CZ3 3.66Å; Y1282-W1284 PolarHBondContact O-N 2.88Å; W1284-G1292 WeakPolarHBondContact O-CA 3.39Å; W1284-W1293 HydrophobicContact CB-CB 3.83Å; W1284-W1293 HydrophobicContact CD2-CB 3.71Å; W1284-W1293 HydrophobicContact CD2-CG 4.33Å; W1284-W1293 AromaticContact CE2-CD1 3.93Å; W1284-W1293 HydrophobicContact CE3-CB 4.03Å; W1284-W1293 HydrophobicContact CG-CB 3.58Å; W1284-W1293 HydrophobicContact CG-CG 4.39Å; W1284-D1296 HydrophobicContact CE3-CB 4.27Å; W1284-D1296 HydrophobicContact CZ3-CB 4.04Å; W1284-Y1297 AromaticContact CH2-CD2 3.52Å; W1284-Y1297 HydrophobicContact CH2-CD2 3.52Å; W1284-Y1297 HydrophobicContact CH2-CG 4.03Å; W1284-Y1297 AromaticContact CZ2-CD2 3.67Å; W1284-Y1297 HydrophobicContact CZ2-CD2 3.67Å; W1284-Y1297 HydrophobicContact CZ2-CG 4.38Å; W1284-L1302 HydrophobicContact CH2-CD2 4.12Å |
| 1285 | F | 91.5 | Very high | 86.4 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | trans | -123.9 | 80.2 | 175.6 | -49.8 | -73.7 | 0 | 0 | 0 | 109.5 | L1220 R1222 Y1240 R1283 V1291 W1293 | L1220-F1285 HydrophobicContact CD2-CE2 3.87Å; R1222-F1285 HydrophobicContact CB-CB 3.97Å; R1222-F1285 HydrophobicContact CB-CD2 4.04Å; R1222-F1285 HydrophobicContact CB-CG 4.15Å; R1222-F1285 HydrophobicContact CG-CB 3.9Å; R1222-F1285 HydrophobicContact CG-CD2 4.5Å; R1222-F1285 HydrophobicContact CG-CG 4.15Å; Y1240-F1285 WeakPolarHBondContact OH-CE2 3.46Å; R1283-F1285 VanDerWaalsContact C-N 3.26Å; R1283-F1285 PolarHBondContact NH2-O 2.91Å; R1283-F1285 PolarHBondContact O-N 3.38Å; F1285-V1291 WeakPolarHBondContact CE1-O 3.31Å; F1285-W1293 HydrophobicContact CZ-CB 4.42Å | ||
| 1286 | P | 89 | Confident | 85.9 | Confident | 59 Ų | 59 | 32.1 Ų | 32.1 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -63.7 | -32.1 | 173 | -19.2 | 32.6 | 0 | 0 | 0 | 112.4 | R1283 R1306 | R1283-P1286 HydrophobicContact CB-CG 4.26Å; R1283-P1286 WeakPolarHBondContact O-CD 3.33Å; R1283-P1286 WeakPolarHBondContact O-CG 3.49Å; P1286-R1306 HydrophobicContact CG-CB 4.38Å; P1286-R1306 HydrophobicContact CG-CG 3.72Å |
| 1287 | D | 86.9 | Confident | 85.2 | Confident | 89 Ų | 89 | 35.4 Ų | 35.4 | 48% | 0.476 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -129.8 | 162.3 | 169 | 58.5 | 66.2 | 0 | 0 | 0 | 110.5 | D1289 T1290 | D1287-D1289 PolarHBondContact O-N 2.87Å; D1287-D1289 PolarHBondContact OD1-N 3.34Å; D1287-T1290 PolarHBondContact O-N 3.35Å; D1287-T1290 PolarHBondContact O-OG1 3.11Å; D1287-T1290 PolarHBondContact OD1-N 3.12Å; D1287-T1290 PolarHBondContact OD1-OG1 3.21Å; D1287-T1290 PolarHBondContact OD2-OG1 3.03Å; D1287-T1290 VanDerWaalsContact OD2-OG1 3.07Å |
| 1288 | D | 87.6 | Confident | 84.1 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -18.8 | -171.2 | -76.5 | -14.5 | 0 | 0 | 0 | 113.1 | R1222 H1223 R1320 R1330 | R1222-D1288 PolarHBondContact NE-O 2.91Å; R1222-D1288 PolarHBondContact NH2-O 3.06Å; H1223-D1288 WeakPolarHBondContact CA-OD1 3.15Å; H1223-D1288 IonicContact CE1-OD1 2.78Å; H1223-D1288 IonicContact CE1-OD2 3.63Å; H1223-D1288 IonicContact CG-OD1 2.74Å; H1223-D1288 IonicContact CG-OD2 3.61Å; H1223-D1288 PolarHBondContact N-OD1 3.35Å; H1223-D1288 IonicContact ND1-OD1 3.66Å; H1223-D1288 PolarHBondContact ND1-OD1 2.58Å; H1223-D1288 IonicContact ND1-OD2 2.72Å; H1223-D1288 PolarHBondContact ND1-OD2 3.49Å; D1288-R1320 IonicContact OD2-CZ 2.97Å; D1288-R1320 IonicContact OD2-NH2 3.22Å; D1288-R1320 PolarHBondContact OD2-NH2 3.42Å; D1288-R1330 PolarHBondContact O-NH2 3.17Å |
| 1289 | D | 85.8 | Confident | 83.2 | Confident | 145 Ų | 145 | 40.7 Ų | 40.7 | 78% | 0.775 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -7.5 | -177.3 | -66.2 | -39.8 | 0 | 0 | 0 | 113.3 | D1287 V1291 R1330 | D1287-D1289 PolarHBondContact O-N 2.87Å; D1287-D1289 PolarHBondContact OD1-N 3.34Å; D1289-V1291 PolarHBondContact O-N 3.31Å; D1289-R1330 PolarHBondContact O-NH2 3.45Å |
| 1290 | T | 85.8 | Confident | 81.9 | Confident | 17 Ų | 17 | 47 Ų | 47 | 10% | 0.104 | 26% | 0.257 | C | S | . | . | trans | -56.4 | 135 | 175.5 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | D1287 R1330 | D1287-T1290 PolarHBondContact O-N 3.35Å; D1287-T1290 PolarHBondContact O-OG1 3.11Å; D1287-T1290 PolarHBondContact OD1-N 3.12Å; D1287-T1290 PolarHBondContact OD1-OG1 3.21Å; D1287-T1290 PolarHBondContact OD2-OG1 3.03Å; D1287-T1290 VanDerWaalsContact OD2-OG1 3.07Å; T1290-R1330 PolarHBondContact O-NH1 3.17Å; T1290-R1330 PolarHBondContact O-NH2 3.23Å | ||
| 1291 | V | 79.4 | Confident | 80.9 | Confident | 81 Ų | 81 | 49.1 Ų | 49.1 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | trans | -59.9 | -46.9 | 179.4 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | F1285 D1289 D1295 R1330 | F1285-V1291 WeakPolarHBondContact CE1-O 3.31Å; D1289-V1291 PolarHBondContact O-N 3.31Å; V1291-D1295 HydrophobicContact CG1-CB 3.52Å; V1291-R1330 PolarHBondContact O-NH1 3.41Å | ||
| 1292 | G | 83.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | 63.1 | -154.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | W1284 D1295 D1296 | W1284-G1292 WeakPolarHBondContact O-CA 3.39Å; G1292-D1295 PolarHBondContact O-N 2.97Å; G1292-D1295 VanDerWaalsContact O-N 3.1Å; G1292-D1296 PolarHBondContact N-OD2 2.68Å; G1292-D1296 WeakPolarHBondContact O-CB 3.36Å; G1292-D1296 PolarHBondContact O-N 3.19Å | ||
| 1293 | W | 83.6 | Confident | 79.6 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 140.2 | -174.7 | -174 | 91.8 | 0 | 0 | 0 | 112.6 | P1152 L1220 I1230 P1238 W1284 F1285 | P1152-W1293 HydrophobicContact CB-CG 4.43Å; P1152-W1293 HydrophobicContact CG-CD2 4.27Å; P1152-W1293 HydrophobicContact CG-CG 4.47Å; L1220-W1293 HydrophobicContact CD2-CB 3.79Å; L1220-W1293 HydrophobicContact CD2-CD2 4.23Å; L1220-W1293 HydrophobicContact CD2-CE3 4.26Å; L1220-W1293 HydrophobicContact CD2-CG 4.06Å; I1230-W1293 HydrophobicContact CG2-CH2 3.67Å; I1230-W1293 HydrophobicContact CG2-CZ3 3.73Å; P1238-W1293 HydrophobicContact CG-CE3 3.51Å; P1238-W1293 HydrophobicContact CG-CZ3 3.68Å; W1284-W1293 HydrophobicContact CB-CB 3.83Å; W1284-W1293 HydrophobicContact CD2-CB 3.71Å; W1284-W1293 HydrophobicContact CD2-CG 4.33Å; W1284-W1293 AromaticContact CE2-CD1 3.93Å; W1284-W1293 HydrophobicContact CE3-CB 4.03Å; W1284-W1293 HydrophobicContact CG-CB 3.58Å; W1284-W1293 HydrophobicContact CG-CG 4.39Å; F1285-W1293 HydrophobicContact CZ-CB 4.42Å |
| 1294 | P | 75.7 | Confident | 79 | Confident | 9 Ų | 9 | 54 Ų | 54 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -91.2 | -4.1 | -1.3 | 39.3 | -40.8 | 0 | 0 | 0 | 114.4 | G1233 D1296 Y1297 L1298 | G1233-P1294 WeakPolarHBondContact O-CG 3.39Å; P1294-D1296 PolarHBondContact O-N 3.27Å; P1294-Y1297 VanDerWaalsContact O-CB 3.31Å; P1294-Y1297 WeakPolarHBondContact O-CB 3.3Å; P1294-Y1297 PolarHBondContact O-N 3.15Å; P1294-Y1297 VanDerWaalsContact O-N 3.11Å; P1294-L1298 PolarHBondContact O-N 2.91Å |
| 1295 | D | 79.8 | Confident | 78.7 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 31% | 0.305 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60 | -48.3 | -172.2 | -63.1 | -31.2 | 0 | 0 | 0 | 112 | K1237 V1291 G1292 Y1297 L1298 | K1237-D1295 IonicContact NZ-OD1 3.9Å; K1237-D1295 IonicContact NZ-OD2 3.96Å; K1237-D1295 PolarHBondContact NZ-OD2 3.32Å; V1291-D1295 HydrophobicContact CG1-CB 3.52Å; G1292-D1295 PolarHBondContact O-N 2.97Å; G1292-D1295 VanDerWaalsContact O-N 3.1Å; D1295-Y1297 VanDerWaalsContact C-N 3.3Å; D1295-Y1297 PolarHBondContact O-N 3.2Å; D1295-L1298 PolarHBondContact O-N 3.27Å |
| 1296 | D | 73.6 | Confident | 78.6 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 14% | 0.144 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.8 | -34.2 | 176.2 | -81.1 | 7.7 | 0 | 0 | 0 | 111.5 | W1284 G1292 P1294 L1298 T1299 R1306 | W1284-D1296 HydrophobicContact CE3-CB 4.27Å; W1284-D1296 HydrophobicContact CZ3-CB 4.04Å; G1292-D1296 PolarHBondContact N-OD2 2.68Å; G1292-D1296 WeakPolarHBondContact O-CB 3.36Å; G1292-D1296 PolarHBondContact O-N 3.19Å; P1294-D1296 PolarHBondContact O-N 3.27Å; D1296-L1298 VanDerWaalsContact C-N 3.26Å; D1296-L1298 PolarHBondContact O-N 3.5Å; D1296-T1299 PolarHBondContact O-N 3.21Å; D1296-T1299 VanDerWaalsContact O-N 3.13Å; D1296-T1299 PolarHBondContact O-OG1 3.05Å; D1296-R1306 IonicContact OD2-CZ 2.62Å; D1296-R1306 IonicContact OD2-NH1 2.93Å; D1296-R1306 PolarHBondContact OD2-NH1 3.12Å; D1296-R1306 IonicContact OD2-NH2 2.95Å; D1296-R1306 PolarHBondContact OD2-NH2 3.28Å; D1296-R1306 VanDerWaalsContact OD2-NH2 3.1Å |
| 1297 | Y | 72.3 | Confident | 78.6 | Confident | 71 Ų | 71 | 63.8 Ų | 63.8 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -37.9 | 179 | 177.6 | -100.5 | 0 | 0 | 0 | 111 | A1169 W1284 P1294 D1295 T1299 | A1169-Y1297 WeakPolarHBondContact CB-OH 3.09Å; W1284-Y1297 AromaticContact CH2-CD2 3.52Å; W1284-Y1297 HydrophobicContact CH2-CD2 3.52Å; W1284-Y1297 HydrophobicContact CH2-CG 4.03Å; W1284-Y1297 AromaticContact CZ2-CD2 3.67Å; W1284-Y1297 HydrophobicContact CZ2-CD2 3.67Å; W1284-Y1297 HydrophobicContact CZ2-CG 4.38Å; P1294-Y1297 VanDerWaalsContact O-CB 3.31Å; P1294-Y1297 WeakPolarHBondContact O-CB 3.3Å; P1294-Y1297 PolarHBondContact O-N 3.15Å; P1294-Y1297 VanDerWaalsContact O-N 3.11Å; D1295-Y1297 VanDerWaalsContact C-N 3.3Å; D1295-Y1297 PolarHBondContact O-N 3.2Å; Y1297-T1299 VanDerWaalsContact C-N 3.3Å; Y1297-T1299 PolarHBondContact O-N 2.61Å |
| 1298 | L | 66 | Low | 78.8 | Confident | 107 Ų | 107 | 61.5 Ų | 61.5 | 56% | 0.56 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -71.5 | -20.7 | 178.2 | -64.3 | 172.3 | 0 | 0 | 0 | 113.8 | P1294 D1295 D1296 | P1294-L1298 PolarHBondContact O-N 2.91Å; D1295-L1298 PolarHBondContact O-N 3.27Å; D1296-L1298 VanDerWaalsContact C-N 3.26Å; D1296-L1298 PolarHBondContact O-N 3.5Å |
| 1299 | T | 67.3 | Low | 79 | Confident | 83 Ų | 83 | 61.3 Ų | 61.3 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -0.3 | -177.6 | 65.9 | 0 | 0 | 0 | 0 | 114.2 | D1296 Y1297 S1301 | D1296-T1299 PolarHBondContact O-N 3.21Å; D1296-T1299 VanDerWaalsContact O-N 3.13Å; D1296-T1299 PolarHBondContact O-OG1 3.05Å; Y1297-T1299 VanDerWaalsContact C-N 3.3Å; Y1297-T1299 PolarHBondContact O-N 2.61Å; T1299-S1301 PolarHBondContact O-N 2.96Å; T1299-S1301 PolarHBondContact O-OG 3.19Å |
| 1300 | N | 61 | Low | 79.3 | Confident | 135 Ų | 135 | 54.4 Ų | 54.4 | 72% | 0.722 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 17.4 | -179.4 | -87.9 | -14.2 | 0 | 0 | 0 | 115.8 | L1302 | N1300-L1302 VanDerWaalsContact C-N 3.27Å; N1300-L1302 PolarHBondContact O-N 2.77Å |
| 1301 | S | 67.2 | Low | 79.8 | Confident | 86 Ų | 86 | 54.6 Ų | 54.6 | 60% | 0.601 | 29% | 0.294 | S | S | * | . | trans | -84.5 | 69.5 | 178.9 | -66.5 | 0 | 0 | 0 | 0 | 110.6 | T1299 | T1299-S1301 PolarHBondContact O-N 2.96Å; T1299-S1301 PolarHBondContact O-OG 3.19Å | ||
| 1302 | L | 74.2 | Confident | 80.5 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | trans | -81.8 | 132.5 | 179.3 | -59.3 | -177.9 | 0 | 0 | 0 | 111.3 | P1165 I1167 Y1282 W1284 N1300 | P1165-L1302 HydrophobicContact CG-CB 4.04Å; P1165-L1302 VanDerWaalsContact O-CD1 3.3Å; P1165-L1302 WeakPolarHBondContact O-CD1 3.43Å; I1167-L1302 HydrophobicContact CB-CD1 4.41Å; I1167-L1302 HydrophobicContact CD1-CD1 3.98Å; I1167-L1302 HydrophobicContact CD1-CD2 3.59Å; I1167-L1302 HydrophobicContact CD1-CG 4.4Å; I1167-L1302 HydrophobicContact CG1-CD1 4.04Å; Y1282-L1302 HydrophobicContact CE1-CD2 4.28Å; Y1282-L1302 HydrophobicContact CE2-CD2 4.2Å; W1284-L1302 HydrophobicContact CH2-CD2 4.12Å; N1300-L1302 VanDerWaalsContact C-N 3.27Å; N1300-L1302 PolarHBondContact O-N 2.77Å | ||
| 1303 | S | 80.4 | Confident | 81.1 | Confident | 39 Ų | 39 | 55.9 Ų | 55.9 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | trans | -121.9 | 128.8 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 111 | Y1282 Q1305 R1306 | Y1282-S1303 WeakPolarHBondContact CE2-O 3.28Å; S1303-Q1305 PolarHBondContact O-N 3.19Å; S1303-Q1305 WeakPolarHBondContact OG-CB 3.31Å; S1303-Q1305 PolarHBondContact OG-N 2.94Å; S1303-R1306 PolarHBondContact O-N 2.89Å; S1303-R1306 VanDerWaalsContact O-N 3.08Å | ||
| 1304 | S | 79 | Confident | 81.8 | Confident | 39 Ų | 39 | 55.4 Ų | 55.4 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -60.1 | -22 | 172.8 | 47.1 | 0 | 0 | 0 | 0 | 113.4 | Q1163 R1306 I1307 | Q1163-S1304 VanDerWaalsContact O-CB 3.31Å; Q1163-S1304 WeakPolarHBondContact O-CB 3.22Å; Q1163-S1304 PolarHBondContact O-OG 3.49Å; S1304-R1306 PolarHBondContact O-N 2.92Å; S1304-I1307 PolarHBondContact O-N 3.19Å |
| 1305 | Q | 83.2 | Confident | 82.9 | Confident | 179 Ų | 179 | 56 Ų | 56 | 84% | 0.836 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -66.3 | -18.2 | 175.3 | -63 | -177.5 | -15.3 | 0 | 0 | 113.4 | S1303 I1307 | S1303-Q1305 PolarHBondContact O-N 3.19Å; S1303-Q1305 WeakPolarHBondContact OG-CB 3.31Å; S1303-Q1305 PolarHBondContact OG-N 2.94Å; Q1305-I1307 VanDerWaalsContact C-N 3.33Å |
| 1306 | R | 88.3 | Confident | 83.7 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 21% | 0.208 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -87.2 | -0.3 | 177.1 | -62.7 | -171.8 | 176.1 | -173.4 | 5.8 | 113.1 | Y1282 R1283 P1286 D1296 S1303 S1304 | Y1282-R1306 HydrophobicContact CD2-CB 4.2Å; Y1282-R1306 HydrophobicContact CE2-CB 3.83Å; R1283-R1306 WeakPolarHBondContact CB-O 3.43Å; R1283-R1306 PolarHBondContact N-O 3.44Å; R1283-R1306 WeakPolarHBondContact O-CD 3.41Å; P1286-R1306 HydrophobicContact CG-CB 4.38Å; P1286-R1306 HydrophobicContact CG-CG 3.72Å; D1296-R1306 IonicContact OD2-CZ 2.62Å; D1296-R1306 IonicContact OD2-NH1 2.93Å; D1296-R1306 PolarHBondContact OD2-NH1 3.12Å; D1296-R1306 IonicContact OD2-NH2 2.95Å; D1296-R1306 PolarHBondContact OD2-NH2 3.28Å; D1296-R1306 VanDerWaalsContact OD2-NH2 3.1Å; S1303-R1306 PolarHBondContact O-N 2.89Å; S1303-R1306 VanDerWaalsContact O-N 3.08Å; S1304-R1306 PolarHBondContact O-N 2.92Å |
| 1307 | I | 89.3 | Confident | 84.8 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 20% | 0.195 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.9 | -179.5 | -56.3 | 171 | 0 | 0 | 0 | 110.2 | F1158 P1165 P1280 V1281 Y1282 S1304 Q1305 | F1158-I1307 HydrophobicContact CD2-CD1 4.28Å; P1165-I1307 HydrophobicContact CB-CD1 3.44Å; P1165-I1307 VanDerWaalsContact CB-CD1 3.44Å; P1165-I1307 HydrophobicContact CB-CG1 4.47Å; P1165-I1307 HydrophobicContact CG-CD1 3.79Å; P1165-I1307 HydrophobicContact CG-CG1 4.44Å; P1280-I1307 HydrophobicContact CB-CG2 3.69Å; V1281-I1307 WeakPolarHBondContact O-CA 3.42Å; Y1282-I1307 HydrophobicContact CD2-CG1 3.99Å; S1304-I1307 PolarHBondContact O-N 3.19Å; Q1305-I1307 VanDerWaalsContact C-N 3.33Å |
| 1308 | Q | 91.8 | Very high | 86 | Confident | 41 Ų | 41 | 51 Ų | 51 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 152.5 | 171.5 | 67.2 | -171 | 48.6 | 0 | 0 | 110.9 | V1281 R1283 K1312 T1313 | V1281-Q1308 WeakPolarHBondContact CA-O 3.13Å; V1281-Q1308 WeakPolarHBondContact CB-O 3.4Å; V1281-Q1308 PolarHBondContact N-O 3.34Å; V1281-Q1308 PolarHBondContact O-N 3.28Å; R1283-Q1308 HydrophobicContact CG-CG 3.89Å; Q1308-K1312 HydrophobicContact CB-CB 4.22Å; Q1308-K1312 HydrophobicContact CB-CD 4.35Å; Q1308-K1312 HydrophobicContact CG-CB 4.27Å; Q1308-T1313 WeakPolarHBondContact CG-OG1 3.47Å; Q1308-T1313 VanDerWaalsContact NE2-CA 3.27Å; Q1308-T1313 VanDerWaalsContact NE2-N 3.12Å; Q1308-T1313 PolarHBondContact NE2-OG1 3.14Å |
| 1309 | P | 91.3 | Very high | 87.5 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 23% | 0.234 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 149.8 | 173.1 | 29.2 | -36.9 | 0 | 0 | 0 | 111 | C1279 H1311 K1312 T1313 | C1279-P1309 WeakPolarHBondContact O-CA 3.48Å; P1309-H1311 WeakPolarHBondContact CG-NE2 3.42Å; P1309-H1311 PolarHBondContact O-N 3.48Å; P1309-H1311 VanDerWaalsContact O-N 3.16Å; P1309-K1312 HydrophobicContact CG-CB 4.43Å; P1309-K1312 HydrophobicContact CG-CD 4.22Å; P1309-K1312 HydrophobicContact CG-CG 4.02Å; P1309-K1312 WeakPolarHBondContact O-CB 3.48Å; P1309-K1312 PolarHBondContact O-N 2.92Å; P1309-T1313 PolarHBondContact O-N 2.94Å |
| 1310 | L | 93.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -51.6 | -39.6 | -177.2 | 177.7 | 62.9 | 0 | 0 | 0 | 113.3 | I1214 L1215 A1218 W1249 I1253 I1276 L1277 C1279 V1281 K1312 T1313 M1314 | I1214-L1310 HydrophobicContact CG2-CD2 4.12Å; L1215-L1310 HydrophobicContact CD2-CB 4.25Å; L1215-L1310 HydrophobicContact CD2-CD1 4.33Å; L1215-L1310 HydrophobicContact CD2-CD2 4.08Å; L1215-L1310 HydrophobicContact CD2-CG 4.46Å; A1218-L1310 HydrophobicContact CB-CD1 3.7Å; W1249-L1310 HydrophobicContact CH2-CD1 4.27Å; W1249-L1310 HydrophobicContact CZ2-CD1 3.73Å; I1253-L1310 HydrophobicContact CD1-CD1 4.19Å; I1253-L1310 HydrophobicContact CD1-CD2 4.14Å; I1253-L1310 HydrophobicContact CD1-CG 4.4Å; I1253-L1310 HydrophobicContact CG1-CD2 4.35Å; I1253-L1310 HydrophobicContact CG2-CD2 4.34Å; I1276-L1310 HydrophobicContact CB-CD2 4.41Å; I1276-L1310 HydrophobicContact CD1-CD2 4.35Å; I1276-L1310 HydrophobicContact CG1-CD2 3.87Å; I1276-L1310 HydrophobicContact CG2-CD2 4.06Å; I1276-L1310 WeakPolarHBondContact O-CB 3.45Å; I1276-L1310 WeakPolarHBondContact O-CD2 3.33Å; L1277-L1310 PolarHBondContact O-N 3.31Å; L1277-L1310 VanDerWaalsContact O-N 3.16Å; C1279-L1310 PolarHBondContact O-N 2.91Å; V1281-L1310 HydrophobicContact CG2-CB 4Å; V1281-L1310 HydrophobicContact CG2-CD1 4Å; L1310-K1312 PolarHBondContact O-N 3.41Å; L1310-T1313 WeakPolarHBondContact O-CA 3.16Å; L1310-T1313 WeakPolarHBondContact O-CB 3.42Å; L1310-T1313 PolarHBondContact O-N 2.66Å; L1310-M1314 HydrophobicContact CD1-CG 4.46Å; L1310-M1314 HydrophobicContact CG-CG 4.37Å; L1310-M1314 HydrophobicContact CG-SD 4.24Å; L1310-M1314 WeakPolarHBondContact O-CG 3.41Å; L1310-M1314 PolarHBondContact O-N 2.95Å |
| 1311 | H | 94.4 | Very high | 90.6 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.4 | -26.9 | 178.2 | 74.8 | 82.9 | 0 | 0 | 0 | 113.3 | L1277 P1309 Q1315 Y1421 P1422 H1423 | L1277-H1311 HydrophobicContact CB-CB 4.17Å; L1277-H1311 PolarHBondContact O-CD2 2.76Å; L1277-H1311 VanDerWaalsContact O-CD2 3.28Å; L1277-H1311 PolarHBondContact O-N 2.77Å; P1309-H1311 WeakPolarHBondContact CG-NE2 3.42Å; P1309-H1311 PolarHBondContact O-N 3.48Å; P1309-H1311 VanDerWaalsContact O-N 3.16Å; H1311-Q1315 VanDerWaalsContact O-CB 3.32Å; H1311-Q1315 WeakPolarHBondContact O-CB 3.37Å; H1311-Q1315 PolarHBondContact O-N 3.37Å; H1311-Y1421 HydrophobicContact CB-CD2 4.11Å; H1311-Y1421 HydrophobicContact CB-CE2 3.75Å; H1311-Y1421 PolarHBondContact O-OH 3Å; H1311-P1422 WeakPolarHBondContact CE1-CG 3.43Å; H1311-P1422 WeakPolarHBondContact ND1-CG 3.46Å; H1311-H1423 AromaticContact CE1-NE2 3.87Å; H1311-H1423 AromaticContact ND1-CD2 3.76Å; H1311-H1423 AromaticContact ND1-NE2 3.18Å; H1311-H1423 PolarHBondContact ND1-NE2 3.27Å; H1311-H1423 VanDerWaalsContact ND1-NE2 3.18Å; H1311-H1423 PolarHBondContact O-NE2 2.97Å |
| 1312 | K | 95.7 | Very high | 92 | Very high | 109 Ų | 109 | 36.9 Ų | 36.9 | 47% | 0.474 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -75 | -36.5 | 172.3 | -75.5 | -167.5 | -178.5 | -177.6 | 0 | 111.8 | Q1308 P1309 L1310 Q1315 E1316 | Q1308-K1312 HydrophobicContact CB-CB 4.22Å; Q1308-K1312 HydrophobicContact CB-CD 4.35Å; Q1308-K1312 HydrophobicContact CG-CB 4.27Å; P1309-K1312 HydrophobicContact CG-CB 4.43Å; P1309-K1312 HydrophobicContact CG-CD 4.22Å; P1309-K1312 HydrophobicContact CG-CG 4.02Å; P1309-K1312 WeakPolarHBondContact O-CB 3.48Å; P1309-K1312 PolarHBondContact O-N 2.92Å; L1310-K1312 PolarHBondContact O-N 3.41Å; K1312-Q1315 WeakPolarHBondContact O-CB 3.43Å; K1312-Q1315 PolarHBondContact O-N 3.39Å; K1312-E1316 WeakPolarHBondContact O-CB 3.38Å; K1312-E1316 PolarHBondContact O-N 3.08Å |
| 1313 | T | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 174.3 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | A1218 L1221 W1249 Q1308 P1309 L1310 E1316 A1317 | A1218-T1313 HydrophobicContact CB-CG2 4.06Å; A1218-T1313 WeakPolarHBondContact O-CG2 3.48Å; L1221-T1313 HydrophobicContact CB-CG2 3.95Å; L1221-T1313 HydrophobicContact CD2-CG2 3.88Å; L1221-T1313 WeakPolarHBondContact CD2-O 3.44Å; L1221-T1313 HydrophobicContact CG-CG2 4.43Å; W1249-T1313 HydrophobicContact CH2-CG2 3.99Å; W1249-T1313 HydrophobicContact CZ2-CG2 4.38Å; Q1308-T1313 WeakPolarHBondContact CG-OG1 3.47Å; Q1308-T1313 VanDerWaalsContact NE2-CA 3.27Å; Q1308-T1313 VanDerWaalsContact NE2-N 3.12Å; Q1308-T1313 PolarHBondContact NE2-OG1 3.14Å; P1309-T1313 PolarHBondContact O-N 2.94Å; L1310-T1313 WeakPolarHBondContact O-CA 3.16Å; L1310-T1313 WeakPolarHBondContact O-CB 3.42Å; L1310-T1313 PolarHBondContact O-N 2.66Å; T1313-E1316 PolarHBondContact O-N 3.16Å; T1313-A1317 PolarHBondContact O-N 3.18Å; T1313-A1317 VanDerWaalsContact O-N 3.13Å |
| 1314 | M | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 171.5 | -65 | 169.7 | 67.8 | 0 | 0 | 111.7 | W1249 L1250 I1253 L1277 L1310 E1316 A1317 L1318 Y1421 | W1249-M1314 HydrophobicContact CH2-CG 3.89Å; W1249-M1314 HydrophobicContact CZ3-CG 4.34Å; L1250-M1314 HydrophobicContact CD2-CB 4.08Å; L1250-M1314 HydrophobicContact CD2-CE 4.27Å; L1250-M1314 HydrophobicContact CD2-CG 4.05Å; I1253-M1314 HydrophobicContact CB-CE 4.42Å; I1253-M1314 HydrophobicContact CD1-CE 4.38Å; I1253-M1314 HydrophobicContact CD1-CG 3.83Å; I1253-M1314 HydrophobicContact CD1-SD 3.9Å; I1253-M1314 HydrophobicContact CG2-CE 3.94Å; I1253-M1314 HydrophobicContact CG2-SD 3.81Å; L1277-M1314 HydrophobicContact CD2-CE 4.13Å; L1277-M1314 HydrophobicContact CD2-SD 3.49Å; L1277-M1314 WeakPolarHBondContact CD2-SD 3.49Å; L1310-M1314 HydrophobicContact CD1-CG 4.46Å; L1310-M1314 HydrophobicContact CG-CG 4.37Å; L1310-M1314 HydrophobicContact CG-SD 4.24Å; L1310-M1314 WeakPolarHBondContact O-CG 3.41Å; L1310-M1314 PolarHBondContact O-N 2.95Å; M1314-E1316 VanDerWaalsContact C-N 3.29Å; M1314-E1316 PolarHBondContact O-N 3.38Å; M1314-A1317 WeakPolarHBondContact O-CB 3.39Å; M1314-A1317 PolarHBondContact O-N 3.23Å; M1314-L1318 WeakPolarHBondContact O-CG 3.36Å; M1314-L1318 PolarHBondContact O-N 2.93Å; M1314-Y1421 HydrophobicContact CE-CE2 4.17Å; M1314-Y1421 HydrophobicContact SD-CE2 4.29Å |
| 1315 | Q | 97.5 | Very high | 94.4 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.4 | -43.2 | 179.2 | -174 | 63.4 | 21.5 | 0 | 0 | 111.9 | H1311 K1312 L1318 Q1319 Y1421 H1423 G1425 W1436 | H1311-Q1315 VanDerWaalsContact O-CB 3.32Å; H1311-Q1315 WeakPolarHBondContact O-CB 3.37Å; H1311-Q1315 PolarHBondContact O-N 3.37Å; K1312-Q1315 WeakPolarHBondContact O-CB 3.43Å; K1312-Q1315 PolarHBondContact O-N 3.39Å; Q1315-L1318 PolarHBondContact O-N 2.6Å; Q1315-Q1319 WeakPolarHBondContact O-CB 3.32Å; Q1315-Q1319 PolarHBondContact O-N 3.34Å; Q1315-Y1421 PolarHBondContact N-OH 3.16Å; Q1315-Y1421 PolarHBondContact OE1-OH 3.28Å; Q1315-H1423 WeakPolarHBondContact CB-NE2 3.27Å; Q1315-H1423 HydrophobicContact CG-CB 4.38Å; Q1315-H1423 VanDerWaalsContact OE1-CB 3.3Å; Q1315-H1423 PolarHBondContact OE1-CD2 2.91Å; Q1315-G1425 PolarHBondContact NE2-O 2.96Å; Q1315-W1436 VanDerWaalsContact OE1-CZ2 3.29Å |
| 1316 | E | 96.8 | Very high | 95 | Very high | 49 Ų | 49 | 34.1 Ų | 34.1 | 23% | 0.229 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 176.6 | -174.2 | -170.1 | 135.3 | 0 | 0 | 111.9 | L1221 R1283 K1312 T1313 M1314 L1318 Q1319 R1320 | L1221-E1316 HydrophobicContact CD2-CB 4.13Å; L1221-E1316 HydrophobicContact CD2-CG 4.19Å; R1283-E1316 IonicContact CZ-OE1 3.49Å; R1283-E1316 IonicContact CZ-OE2 2.87Å; R1283-E1316 IonicContact NH1-OE1 2.86Å; R1283-E1316 IonicContact NH1-OE2 3.68Å; R1283-E1316 PolarHBondContact NH1-OE2 3.24Å; R1283-E1316 IonicContact NH2-OE1 3.29Å; R1283-E1316 PolarHBondContact NH2-OE1 2.96Å; R1283-E1316 IonicContact NH2-OE2 2.82Å; R1283-E1316 PolarHBondContact NH2-OE2 2.95Å; K1312-E1316 WeakPolarHBondContact O-CB 3.38Å; K1312-E1316 PolarHBondContact O-N 3.08Å; T1313-E1316 PolarHBondContact O-N 3.16Å; M1314-E1316 VanDerWaalsContact C-N 3.29Å; M1314-E1316 PolarHBondContact O-N 3.38Å; E1316-L1318 PolarHBondContact O-N 2.93Å; E1316-Q1319 PolarHBondContact O-N 2.87Å; E1316-R1320 HydrophobicContact CG-CG 4.37Å; E1316-R1320 WeakPolarHBondContact O-CB 3.3Å; E1316-R1320 VanDerWaalsContact O-CG 3.25Å; E1316-R1320 WeakPolarHBondContact O-CG 3.43Å; E1316-R1320 PolarHBondContact O-N 3.31Å |
| 1317 | A | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.6 | -50 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1221 V1246 W1249 T1313 M1314 Q1319 R1320 H1321 | L1221-A1317 HydrophobicContact CD1-CB 3.78Å; L1221-A1317 HydrophobicContact CD2-CB 4.06Å; V1246-A1317 HydrophobicContact CG2-CB 4.16Å; W1249-A1317 HydrophobicContact CZ3-CB 4.37Å; T1313-A1317 PolarHBondContact O-N 3.18Å; T1313-A1317 VanDerWaalsContact O-N 3.13Å; M1314-A1317 WeakPolarHBondContact O-CB 3.39Å; M1314-A1317 PolarHBondContact O-N 3.23Å; A1317-Q1319 PolarHBondContact O-N 2.73Å; A1317-R1320 PolarHBondContact O-N 3.14Å; A1317-H1321 PolarHBondContact O-N 2.92Å; A1317-H1321 VanDerWaalsContact O-N 3.12Å; A1317-H1321 PolarHBondContact O-ND1 2.99Å |
| 1318 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 179 | -66.5 | 163.3 | 0 | 0 | 0 | 111.9 | W1247 L1250 M1314 Q1315 E1316 H1321 I1322 L1407 V1426 W1436 W1439 | W1247-L1318 HydrophobicContact CH2-CD2 4.3Å; W1247-L1318 HydrophobicContact CZ3-CD2 4.19Å; L1250-L1318 HydrophobicContact CD1-CD2 3.93Å; L1250-L1318 HydrophobicContact CD1-CG 4.35Å; M1314-L1318 WeakPolarHBondContact O-CG 3.36Å; M1314-L1318 PolarHBondContact O-N 2.93Å; Q1315-L1318 PolarHBondContact O-N 2.6Å; E1316-L1318 PolarHBondContact O-N 2.93Å; L1318-H1321 PolarHBondContact O-N 2.92Å; L1318-I1322 PolarHBondContact O-N 2.96Å; L1318-I1322 VanDerWaalsContact O-N 3.09Å; L1318-L1407 HydrophobicContact CD1-CD1 3.49Å; L1318-L1407 VanDerWaalsContact CD1-CD1 3.49Å; L1318-V1426 HydrophobicContact CB-CG1 4.13Å; L1318-W1436 HydrophobicContact CB-CH2 4.11Å; L1318-W1436 HydrophobicContact CB-CZ3 4.47Å; L1318-W1436 HydrophobicContact CD1-CH2 3.56Å; L1318-W1436 HydrophobicContact CD1-CZ2 4.42Å; L1318-W1436 HydrophobicContact CD1-CZ3 3.95Å; L1318-W1436 HydrophobicContact CG-CH2 4.38Å; L1318-W1439 HydrophobicContact CD2-CH2 4.14Å; L1318-W1439 HydrophobicContact CD2-CZ3 4.27Å |
| 1319 | Q | 97.3 | Very high | 95.4 | Very high | 37 Ų | 37 | 34.7 Ų | 34.7 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.5 | -36 | 178.9 | -174.4 | 57.3 | 74 | 0 | 0 | 112.4 | Q1315 E1316 A1317 I1322 I1323 Q1427 | Q1315-Q1319 WeakPolarHBondContact O-CB 3.32Å; Q1315-Q1319 PolarHBondContact O-N 3.34Å; E1316-Q1319 PolarHBondContact O-N 2.87Å; A1317-Q1319 PolarHBondContact O-N 2.73Å; Q1319-I1322 VanDerWaalsContact NE2-CG2 3.31Å; Q1319-I1322 WeakPolarHBondContact O-CG2 3.04Å; Q1319-I1323 HydrophobicContact CG-CD1 4.15Å; Q1319-I1323 VanDerWaalsContact NE2-CD1 3.33Å; Q1319-I1323 WeakPolarHBondContact O-CD1 3.06Å; Q1319-I1323 VanDerWaalsContact O-CG1 3.31Å; Q1319-I1323 WeakPolarHBondContact O-CG1 3.47Å; Q1319-I1323 PolarHBondContact O-N 3.08Å; Q1319-Q1427 PolarHBondContact NE2-O 2.79Å |
| 1320 | R | 95.7 | Very high | 95.2 | Very high | 67 Ų | 67 | 37 Ų | 37 | 25% | 0.253 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -70.6 | -39.9 | 174.9 | -69.3 | -68.7 | -77.4 | 134.2 | -10.7 | 111.5 | D1288 E1316 A1317 I1322 I1323 G1324 I1325 | D1288-R1320 IonicContact OD2-CZ 2.97Å; D1288-R1320 IonicContact OD2-NH2 3.22Å; D1288-R1320 PolarHBondContact OD2-NH2 3.42Å; E1316-R1320 HydrophobicContact CG-CG 4.37Å; E1316-R1320 WeakPolarHBondContact O-CB 3.3Å; E1316-R1320 VanDerWaalsContact O-CG 3.25Å; E1316-R1320 WeakPolarHBondContact O-CG 3.43Å; E1316-R1320 PolarHBondContact O-N 3.31Å; A1317-R1320 PolarHBondContact O-N 3.14Å; R1320-I1322 PolarHBondContact O-N 3.41Å; R1320-I1323 PolarHBondContact O-N 2.87Å; R1320-G1324 CarbonylContact O-C 3.59Å; R1320-G1324 PolarHBondContact O-N 3.46Å; R1320-I1325 HydrophobicContact CB-CD1 4.21Å; R1320-I1325 HydrophobicContact CB-CG1 4.12Å |
| 1321 | H | 97.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 175.6 | -77.8 | 81.4 | 0 | 0 | 0 | 112.8 | G1224 W1247 A1317 L1318 G1324 N1350 I1351 | G1224-H1321 PolarHBondContact O-CE1 3.25Å; W1247-H1321 AromaticContact CZ2-CD2 3.87Å; W1247-H1321 AromaticContact NE1-NE2 3.8Å; A1317-H1321 PolarHBondContact O-N 2.92Å; A1317-H1321 VanDerWaalsContact O-N 3.12Å; A1317-H1321 PolarHBondContact O-ND1 2.99Å; L1318-H1321 PolarHBondContact O-N 2.92Å; H1321-G1324 PolarHBondContact O-N 3.24Å; H1321-N1350 WeakPolarHBondContact O-CA 3.45Å; H1321-I1351 HydrophobicContact CB-CD1 4.25Å; H1321-I1351 HydrophobicContact CB-CG1 4.2Å; H1321-I1351 PolarHBondContact O-N 3.29Å |
| 1322 | I | 96 | Very high | 94.4 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.9 | -34.5 | 179.9 | -155.1 | 77.2 | 0 | 0 | 0 | 112.5 | L1318 Q1319 R1320 I1351 L1353 V1426 Q1427 L1428 L1434 W1439 | L1318-I1322 PolarHBondContact O-N 2.96Å; L1318-I1322 VanDerWaalsContact O-N 3.09Å; Q1319-I1322 VanDerWaalsContact NE2-CG2 3.31Å; Q1319-I1322 WeakPolarHBondContact O-CG2 3.04Å; R1320-I1322 PolarHBondContact O-N 3.41Å; I1322-I1351 HydrophobicContact CD1-CB 3.86Å; I1322-I1351 HydrophobicContact CD1-CG1 3.97Å; I1322-I1351 HydrophobicContact CD1-CG2 3.92Å; I1322-L1353 HydrophobicContact CD1-CD2 3.96Å; I1322-L1353 HydrophobicContact CG1-CD2 4.31Å; I1322-V1426 HydrophobicContact CB-CB 4.42Å; I1322-V1426 HydrophobicContact CB-CG2 3.91Å; I1322-V1426 HydrophobicContact CD1-CG2 4.12Å; I1322-V1426 HydrophobicContact CG1-CG2 3.72Å; I1322-V1426 HydrophobicContact CG2-CB 3.84Å; I1322-V1426 HydrophobicContact CG2-CG2 3.77Å; I1322-Q1427 WeakPolarHBondContact CG2-O 3.41Å; I1322-L1428 HydrophobicContact CD1-CD2 4.23Å; I1322-L1428 HydrophobicContact CG1-CD2 3.6Å; I1322-L1434 HydrophobicContact CD1-CD2 3.86Å; I1322-W1439 HydrophobicContact CD1-CH2 4.44Å; I1322-W1439 HydrophobicContact CD1-CZ2 4.44Å; I1322-W1439 HydrophobicContact CD1-CZ3 4.5Å |
| 1323 | I | 94.8 | Very high | 94.2 | Very high | 87 Ų | 87 | 38.9 Ų | 38.9 | 45% | 0.446 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -73.6 | -36 | 176.5 | -70.2 | 168.8 | 0 | 0 | 0 | 110.6 | Q1319 R1320 | Q1319-I1323 HydrophobicContact CG-CD1 4.15Å; Q1319-I1323 VanDerWaalsContact NE2-CD1 3.33Å; Q1319-I1323 WeakPolarHBondContact O-CD1 3.06Å; Q1319-I1323 VanDerWaalsContact O-CG1 3.31Å; Q1319-I1323 WeakPolarHBondContact O-CG1 3.47Å; Q1319-I1323 PolarHBondContact O-N 3.08Å; R1320-I1323 PolarHBondContact O-N 2.87Å |
| 1324 | G | 94.7 | Very high | 93.7 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 25% | 0.247 | 23% | 0.233 | C | C | . | . | trans | 111.3 | 135.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1320 H1321 | R1320-G1324 CarbonylContact O-C 3.59Å; R1320-G1324 PolarHBondContact O-N 3.46Å; H1321-G1324 PolarHBondContact O-N 3.24Å | ||
| 1325 | I | 95.7 | Very high | 93 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.2 | 179.3 | -56.3 | 171.6 | 0 | 0 | 0 | 107.2 | H1223 L1225 R1320 F1327 Q1348 A1349 | H1223-I1325 HydrophobicContact CB-CG2 4.03Å; H1223-I1325 WeakPolarHBondContact O-CD1 3.44Å; H1223-I1325 VanDerWaalsContact O-CG1 3.23Å; H1223-I1325 WeakPolarHBondContact O-CG1 3.32Å; H1223-I1325 WeakPolarHBondContact O-CG2 3.4Å; L1225-I1325 HydrophobicContact CD1-CG2 4.41Å; L1225-I1325 HydrophobicContact CD2-CD1 4.06Å; L1225-I1325 HydrophobicContact CG-CD1 4.19Å; R1320-I1325 HydrophobicContact CB-CD1 4.21Å; R1320-I1325 HydrophobicContact CB-CG1 4.12Å; I1325-F1327 HydrophobicContact CG2-CD1 3.79Å; I1325-F1327 HydrophobicContact CG2-CE1 3.83Å; I1325-Q1348 CarbonylContact O-C 3.15Å; I1325-Q1348 VanDerWaalsContact O-CA 3.28Å; I1325-Q1348 WeakPolarHBondContact O-CA 3.37Å; I1325-A1349 WeakPolarHBondContact CA-O 3.43Å; I1325-A1349 HydrophobicContact CB-CB 4.22Å; I1325-A1349 VanDerWaalsContact CB-O 3.31Å; I1325-A1349 WeakPolarHBondContact CB-O 3.3Å; I1325-A1349 HydrophobicContact CD1-CB 4.29Å; I1325-A1349 PolarHBondContact N-O 3.24Å; I1325-A1349 PolarHBondContact O-N 2.83Å |
| 1326 | E | 94.7 | Very high | 92.4 | Very high | 116 Ų | 116 | 51.1 Ų | 51.1 | 54% | 0.542 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 121.9 | 173.7 | 178.4 | 168.3 | -160.7 | 0 | 0 | 108.5 | K1346 V1347 Q1348 | E1326-K1346 WeakPolarHBondContact OE1-CE 3.48Å; E1326-K1346 IonicContact OE1-NZ 3.52Å; E1326-K1346 PolarHBondContact OE1-NZ 3.24Å; E1326-V1347 WeakPolarHBondContact CA-O 3.23Å; E1326-Q1348 HydrophobicContact CB-CG 4.33Å; E1326-Q1348 HydrophobicContact CG-CG 4.06Å; E1326-Q1348 PolarHBondContact OE1-NE2 2.88Å |
| 1327 | F | 94.8 | Very high | 91.9 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 10% | 0.096 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 168 | 175.6 | 67.1 | -80.1 | 0 | 0 | 0 | 110.5 | H1223 L1225 Y1240 I1325 E1329 V1347 | H1223-F1327 HydrophobicContact CB-CD1 3.9Å; H1223-F1327 HydrophobicContact CB-CE1 3.8Å; H1223-F1327 HydrophobicContact CB-CZ 4.46Å; H1223-F1327 AromaticContact CD2-CD1 3.8Å; H1223-F1327 AromaticContact CD2-CD2 3.65Å; H1223-F1327 AromaticContact CD2-CE1 3.72Å; H1223-F1327 AromaticContact CD2-CE2 3.57Å; H1223-F1327 AromaticContact CD2-CG 3.78Å; H1223-F1327 AromaticContact CD2-CZ 3.6Å; H1223-F1327 AromaticContact CE1-CG 3.94Å; H1223-F1327 AromaticContact CG-CD1 3.67Å; H1223-F1327 AromaticContact CG-CE1 3.81Å; H1223-F1327 AromaticContact CG-CG 3.92Å; H1223-F1327 AromaticContact NE2-CD2 3.54Å; H1223-F1327 AromaticContact NE2-CE2 3.82Å; H1223-F1327 AromaticContact NE2-CG 3.82Å; L1225-F1327 HydrophobicContact CD1-CE1 3.75Å; L1225-F1327 HydrophobicContact CD1-CZ 4.02Å; Y1240-F1327 WeakPolarHBondContact O-CZ 3.43Å; I1325-F1327 HydrophobicContact CG2-CD1 3.79Å; I1325-F1327 HydrophobicContact CG2-CE1 3.83Å; F1327-E1329 HydrophobicContact CE2-CG 4.32Å; F1327-V1347 HydrophobicContact CD1-CB 4.24Å; F1327-V1347 HydrophobicContact CE1-CB 3.69Å; F1327-V1347 HydrophobicContact CE1-CG1 3.67Å; F1327-V1347 HydrophobicContact CE2-CB 4.16Å; F1327-V1347 HydrophobicContact CE2-CG2 4.23Å; F1327-V1347 HydrophobicContact CZ-CB 3.64Å; F1327-V1347 HydrophobicContact CZ-CG1 3.8Å; F1327-V1347 HydrophobicContact CZ-CG2 3.98Å; F1327-V1347 PolarHBondContact N-O 3.05Å; F1327-V1347 VanDerWaalsContact N-O 3.1Å; F1327-V1347 PolarHBondContact O-N 3.36Å |
| 1328 | I | 93.1 | Very high | 91.6 | Very high | 113 Ų | 113 | 56.7 Ų | 56.7 | 58% | 0.579 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.9 | 168.8 | -62.2 | 173.5 | 0 | 0 | 0 | 107.1 | A1332 F1345 K1346 | I1328-A1332 HydrophobicContact CG2-CB 3.6Å; I1328-F1345 WeakPolarHBondContact CA-O 3.48Å; I1328-F1345 HydrophobicContact CG2-CB 4.4Å; I1328-K1346 HydrophobicContact CG1-CG 4.48Å |
| 1329 | E | 91 | Very high | 91.3 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | trans | -52.4 | 141.8 | 178.7 | -75.1 | -166.5 | 85.8 | 0 | 0 | 112.1 | R1239 N1241 F1327 N1331 A1332 L1336 F1345 V1347 | R1239-E1329 IonicContact CZ-OE1 3.84Å; R1239-E1329 IonicContact CZ-OE2 2.86Å; R1239-E1329 IonicContact NE-OE1 2.83Å; R1239-E1329 PolarHBondContact NE-OE1 2.98Å; R1239-E1329 IonicContact NE-OE2 3.96Å; R1239-E1329 IonicContact NH2-OE1 3.21Å; R1239-E1329 PolarHBondContact NH2-OE1 2.91Å; R1239-E1329 IonicContact NH2-OE2 2.67Å; R1239-E1329 PolarHBondContact NH2-OE2 3.24Å; N1241-E1329 WeakPolarHBondContact CB-OE2 3.47Å; F1327-E1329 HydrophobicContact CE2-CG 4.32Å; E1329-N1331 PolarHBondContact O-N 2.98Å; E1329-A1332 VanDerWaalsContact O-CB 3.23Å; E1329-A1332 WeakPolarHBondContact O-CB 3.33Å; E1329-A1332 PolarHBondContact O-N 3.49Å; E1329-A1332 VanDerWaalsContact O-N 3.13Å; E1329-L1336 HydrophobicContact CB-CD2 3.95Å; E1329-F1345 PolarHBondContact N-O 2.88Å; E1329-V1347 HydrophobicContact CG-CG2 4.04Å | ||
| 1330 | R | 86.9 | Confident | 91.1 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 137.7 | 172.3 | -77.2 | -172.1 | -179 | 170.9 | 8 | 108.7 | R1222 D1288 D1289 T1290 V1291 A1332 | R1222-R1330 VanDerWaalsContact CZ-CZ 3.41Å; D1288-R1330 PolarHBondContact O-NH2 3.17Å; D1289-R1330 PolarHBondContact O-NH2 3.45Å; T1290-R1330 PolarHBondContact O-NH1 3.17Å; T1290-R1330 PolarHBondContact O-NH2 3.23Å; V1291-R1330 PolarHBondContact O-NH1 3.41Å; R1330-A1332 PolarHBondContact O-N 2.92Å |
| 1331 | N | 83.5 | Confident | 90.9 | Very high | 112 Ų | 112 | 58.8 Ų | 58.8 | 60% | 0.599 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 24.4 | -176.3 | -49.4 | -35.1 | 0 | 0 | 0 | 114 | E1329 G1333 L1336 | E1329-N1331 PolarHBondContact O-N 2.98Å; N1331-G1333 PolarHBondContact O-N 3.4Å; N1331-L1336 WeakPolarHBondContact O-CB 3.38Å |
| 1332 | A | 88 | Confident | 90.7 | Very high | 43 Ų | 43 | 63.7 Ų | 63.7 | 36% | 0.355 | 35% | 0.348 | S | S | . | . | trans | -49.6 | 132.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1328 E1329 R1330 F1345 | I1328-A1332 HydrophobicContact CG2-CB 3.6Å; E1329-A1332 VanDerWaalsContact O-CB 3.23Å; E1329-A1332 WeakPolarHBondContact O-CB 3.33Å; E1329-A1332 PolarHBondContact O-N 3.49Å; E1329-A1332 VanDerWaalsContact O-N 3.13Å; R1330-A1332 PolarHBondContact O-N 2.92Å; A1332-F1345 HydrophobicContact CB-CB 3.57Å; A1332-F1345 HydrophobicContact CB-CD1 3.94Å; A1332-F1345 HydrophobicContact CB-CD2 4.2Å; A1332-F1345 HydrophobicContact CB-CG 3.64Å | ||
| 1333 | G | 90.4 | Very high | 90.6 | Very high | 14 Ų | 14 | 67.9 Ų | 67.9 | 14% | 0.144 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 137.6 | -177.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1331 T1335 L1336 D1337 F1345 | N1331-G1333 PolarHBondContact O-N 3.4Å; G1333-T1335 PolarHBondContact O-N 3.44Å; G1333-L1336 PolarHBondContact O-N 3.15Å; G1333-D1337 PolarHBondContact O-N 2.84Å; G1333-F1345 VanDerWaalsContact O-CZ 3.29Å; G1333-F1345 WeakPolarHBondContact O-CZ 2.91Å |
| 1334 | P | 86.2 | Confident | 90.5 | Very high | 106 Ų | 106 | 63.7 Ų | 63.7 | 69% | 0.688 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.9 | -172.5 | -25.6 | 34.7 | 0 | 0 | 0 | 114.9 | L1336 D1337 E1338 | P1334-L1336 VanDerWaalsContact C-N 3.28Å; P1334-L1336 PolarHBondContact O-N 3.21Å; P1334-D1337 CarbonylContact O-C 3.25Å; P1334-E1338 WeakPolarHBondContact O-CA 3.39Å; P1334-E1338 PolarHBondContact O-N 3.11Å |
| 1335 | T | 83.5 | Confident | 90.5 | Very high | 134 Ų | 134 | 62.8 Ų | 62.8 | 82% | 0.822 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -24.4 | 175 | 44.8 | 0 | 0 | 0 | 0 | 113.4 | G1333 | G1333-T1335 PolarHBondContact O-N 3.44Š|
| 1336 | L | 84.3 | Confident | 90.4 | Very high | 39 Ų | 39 | 66.4 Ų | 66.4 | 20% | 0.204 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -41.1 | 177.8 | -170.9 | 68.5 | 0 | 0 | 0 | 111.5 | R1239 E1329 N1331 G1333 P1334 F1345 | R1239-L1336 HydrophobicContact CG-CD1 4.31Å; E1329-L1336 HydrophobicContact CB-CD2 3.95Å; N1331-L1336 WeakPolarHBondContact O-CB 3.38Å; G1333-L1336 PolarHBondContact O-N 3.15Å; P1334-L1336 VanDerWaalsContact C-N 3.28Å; P1334-L1336 PolarHBondContact O-N 3.21Å; L1336-F1345 HydrophobicContact CB-CE1 4.05Å; L1336-F1345 HydrophobicContact CD2-CD1 3.97Å; L1336-F1345 HydrophobicContact CD2-CE1 3.9Å; L1336-F1345 HydrophobicContact CG-CE1 4.27Å |
| 1337 | D | 87.5 | Confident | 90.4 | Very high | 33 Ų | 33 | 61 Ų | 61 | 18% | 0.176 | 33% | 0.326 | C | S | . | . | trans | -154.1 | 110.4 | 172.8 | -173.9 | -38.1 | 0 | 0 | 0 | 108.3 | G1333 P1334 H1339 M1340 F1345 | G1333-D1337 PolarHBondContact O-N 2.84Å; P1334-D1337 CarbonylContact O-C 3.25Å; D1337-H1339 PolarHBondContact O-N 2.79Å; D1337-H1339 PolarHBondContact OD1-N 3.25Å; D1337-M1340 HydrophobicContact CB-CB 3.78Å; D1337-M1340 PolarHBondContact OD1-N 2.66Å; D1337-F1345 HydrophobicContact CB-CE1 4.04Å; D1337-F1345 HydrophobicContact CB-CZ 4.05Å | ||
| 1338 | E | 90.4 | Very high | 90.4 | Very high | 134 Ų | 134 | 62.5 Ų | 62.5 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -72.6 | -14 | -175.6 | 63.3 | 171 | -165 | 0 | 0 | 113.9 | P1334 | P1334-E1338 WeakPolarHBondContact O-CA 3.39Å; P1334-E1338 PolarHBondContact O-N 3.11Å |
| 1339 | H | 92.1 | Very high | 90.5 | Very high | 56 Ų | 56 | 57.2 Ų | 57.2 | 26% | 0.259 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -98 | -29.5 | -179.6 | -55.4 | -45.9 | 0 | 0 | 0 | 111.8 | D1337 M1373 S1375 Q1382 G1383 | D1337-H1339 PolarHBondContact O-N 2.79Å; D1337-H1339 PolarHBondContact OD1-N 3.25Å; H1339-M1373 HydrophobicContact CB-CG 4.33Å; H1339-S1375 WeakPolarHBondContact CD2-CB 3.27Å; H1339-S1375 VanDerWaalsContact CG-CB 3.49Å; H1339-S1375 WeakPolarHBondContact NE2-CB 3.5Å; H1339-Q1382 HydrophobicContact CB-CG 4.31Å; H1339-G1383 WeakPolarHBondContact O-CA 3.38Å; H1339-G1383 PolarHBondContact O-N 3.12Å |
| 1340 | M | 92.6 | Very high | 90.7 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -68.9 | 139 | -176.7 | -172.5 | 173.7 | -69.7 | 0 | 0 | 113.1 | D1337 F1345 M1373 | D1337-M1340 HydrophobicContact CB-CB 3.78Å; D1337-M1340 PolarHBondContact OD1-N 2.66Å; M1340-F1345 HydrophobicContact CB-CE1 4.33Å; M1340-F1345 HydrophobicContact CB-CE2 4.04Å; M1340-F1345 HydrophobicContact CB-CZ 3.79Å; M1340-F1345 HydrophobicContact CG-CD2 4.25Å; M1340-F1345 HydrophobicContact CG-CE1 4.31Å; M1340-F1345 HydrophobicContact CG-CE2 3.98Å; M1340-F1345 HydrophobicContact CG-CZ 4.02Å; M1340-F1345 HydrophobicContact SD-CD1 3.68Å; M1340-F1345 HydrophobicContact SD-CD2 4.28Å; M1340-F1345 HydrophobicContact SD-CE1 3.73Å; M1340-F1345 HydrophobicContact SD-CE2 4.32Å; M1340-F1345 HydrophobicContact SD-CG 3.98Å; M1340-F1345 HydrophobicContact SD-CZ 4.06Å; M1340-M1373 HydrophobicContact CB-CE 4.37Å; M1340-M1373 HydrophobicContact CE-CE 3.79Å; M1340-M1373 HydrophobicContact CG-CE 4.06Å |
| 1341 | K | 92.6 | Very high | 91.1 | Very high | 74 Ų | 74 | 55 Ų | 55 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | trans | -75.7 | 155.1 | 173.5 | -67.6 | -179.8 | -177 | 174.2 | 0 | 111.4 | E1343 G1344 F1345 F1364 G1383 | K1341-E1343 WeakPolarHBondContact CB-OE2 3.49Å; K1341-E1343 PolarHBondContact O-N 3.15Å; K1341-E1343 VanDerWaalsContact O-N 3.09Å; K1341-G1344 WeakPolarHBondContact O-CA 3.49Å; K1341-G1344 PolarHBondContact O-N 3.47Å; K1341-F1345 WeakPolarHBondContact O-CD2 3.29Å; K1341-F1364 HydrophobicContact CD-CD1 3.86Å; K1341-F1364 HydrophobicContact CD-CE1 4.08Å; K1341-G1383 WeakPolarHBondContact CD-O 3.37Å | ||
| 1342 | P | 92.5 | Very high | 91.7 | Very high | 105 Ų | 105 | 51.2 Ų | 51.2 | 68% | 0.682 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -48.2 | -39.2 | 177 | -30.1 | 37.2 | 0 | 0 | 0 | 114.3 | G1344 F1345 | P1342-G1344 VanDerWaalsContact C-N 3.3Å; P1342-G1344 PolarHBondContact O-N 3.36Å; P1342-F1345 PolarHBondContact O-N 3.04Å |
| 1343 | E | 93.2 | Very high | 92 | Very high | 97 Ų | 97 | 53.6 Ų | 53.6 | 45% | 0.453 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -66.9 | -28.6 | 178.1 | -60 | 82.5 | 176.6 | 0 | 0 | 113.1 | K1341 F1345 K1346 N1362 F1364 | K1341-E1343 WeakPolarHBondContact CB-OE2 3.49Å; K1341-E1343 PolarHBondContact O-N 3.15Å; K1341-E1343 VanDerWaalsContact O-N 3.09Å; E1343-F1345 VanDerWaalsContact C-N 3.26Å; E1343-F1345 PolarHBondContact O-N 2.97Å; E1343-K1346 WeakPolarHBondContact O-CB 3.33Å; E1343-K1346 PolarHBondContact O-N 3.32Å; E1343-K1346 VanDerWaalsContact O-N 3.12Å; E1343-N1362 PolarHBondContact O-ND2 3.08Å; E1343-F1364 HydrophobicContact CB-CB 4.1Å; E1343-F1364 HydrophobicContact CB-CD2 3.64Å; E1343-F1364 HydrophobicContact CB-CE2 4.39Å; E1343-F1364 HydrophobicContact CB-CG 4.06Å; E1343-F1364 HydrophobicContact CG-CD2 4.25Å |
| 1344 | G | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -67.8 | -25.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1341 P1342 K1346 F1364 N1365 | K1341-G1344 WeakPolarHBondContact O-CA 3.49Å; K1341-G1344 PolarHBondContact O-N 3.47Å; P1342-G1344 VanDerWaalsContact C-N 3.3Å; P1342-G1344 PolarHBondContact O-N 3.36Å; G1344-K1346 VanDerWaalsContact C-N 3.27Å; G1344-K1346 PolarHBondContact O-N 2.89Å; G1344-F1364 WeakPolarHBondContact CA-O 3.38Å; G1344-N1365 PolarHBondContact O-ND2 3.46Å |
| 1345 | F | 94.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -78.4 | -9.2 | 174.4 | -60.4 | -75.6 | 0 | 0 | 0 | 113.4 | I1328 E1329 A1332 G1333 L1336 D1337 M1340 K1341 P1342 E1343 V1347 | I1328-F1345 WeakPolarHBondContact CA-O 3.48Å; I1328-F1345 HydrophobicContact CG2-CB 4.4Å; E1329-F1345 PolarHBondContact N-O 2.88Å; A1332-F1345 HydrophobicContact CB-CB 3.57Å; A1332-F1345 HydrophobicContact CB-CD1 3.94Å; A1332-F1345 HydrophobicContact CB-CD2 4.2Å; A1332-F1345 HydrophobicContact CB-CG 3.64Å; G1333-F1345 VanDerWaalsContact O-CZ 3.29Å; G1333-F1345 WeakPolarHBondContact O-CZ 2.91Å; L1336-F1345 HydrophobicContact CB-CE1 4.05Å; L1336-F1345 HydrophobicContact CD2-CD1 3.97Å; L1336-F1345 HydrophobicContact CD2-CE1 3.9Å; L1336-F1345 HydrophobicContact CG-CE1 4.27Å; D1337-F1345 HydrophobicContact CB-CE1 4.04Å; D1337-F1345 HydrophobicContact CB-CZ 4.05Å; M1340-F1345 HydrophobicContact CB-CE1 4.33Å; M1340-F1345 HydrophobicContact CB-CE2 4.04Å; M1340-F1345 HydrophobicContact CB-CZ 3.79Å; M1340-F1345 HydrophobicContact CG-CD2 4.25Å; M1340-F1345 HydrophobicContact CG-CE1 4.31Å; M1340-F1345 HydrophobicContact CG-CE2 3.98Å; M1340-F1345 HydrophobicContact CG-CZ 4.02Å; M1340-F1345 HydrophobicContact SD-CD1 3.68Å; M1340-F1345 HydrophobicContact SD-CD2 4.28Å; M1340-F1345 HydrophobicContact SD-CE1 3.73Å; M1340-F1345 HydrophobicContact SD-CE2 4.32Å; M1340-F1345 HydrophobicContact SD-CG 3.98Å; M1340-F1345 HydrophobicContact SD-CZ 4.06Å; K1341-F1345 WeakPolarHBondContact O-CD2 3.29Å; P1342-F1345 PolarHBondContact O-N 3.04Å; E1343-F1345 VanDerWaalsContact C-N 3.26Å; E1343-F1345 PolarHBondContact O-N 2.97Å; F1345-V1347 PolarHBondContact O-N 3.43Å |
| 1346 | K | 94.7 | Very high | 93.4 | Very high | 81 Ų | 81 | 48.6 Ų | 48.6 | 35% | 0.352 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 98.5 | 176.7 | -171.8 | 178.5 | 179.5 | -177.3 | 0 | 109.7 | E1326 I1328 E1343 G1344 N1362 | E1326-K1346 WeakPolarHBondContact OE1-CE 3.48Å; E1326-K1346 IonicContact OE1-NZ 3.52Å; E1326-K1346 PolarHBondContact OE1-NZ 3.24Å; I1328-K1346 HydrophobicContact CG1-CG 4.48Å; E1343-K1346 WeakPolarHBondContact O-CB 3.33Å; E1343-K1346 PolarHBondContact O-N 3.32Å; E1343-K1346 VanDerWaalsContact O-N 3.12Å; G1344-K1346 VanDerWaalsContact C-N 3.27Å; G1344-K1346 PolarHBondContact O-N 2.89Å; K1346-N1362 PolarHBondContact O-ND2 3.22Å |
| 1347 | V | 93.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 132.6 | -178 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | L1225 E1326 F1327 E1329 F1345 | L1225-V1347 HydrophobicContact CD1-CG1 4.14Å; E1326-V1347 WeakPolarHBondContact CA-O 3.23Å; F1327-V1347 HydrophobicContact CD1-CB 4.24Å; F1327-V1347 HydrophobicContact CE1-CB 3.69Å; F1327-V1347 HydrophobicContact CE1-CG1 3.67Å; F1327-V1347 HydrophobicContact CE2-CB 4.16Å; F1327-V1347 HydrophobicContact CE2-CG2 4.23Å; F1327-V1347 HydrophobicContact CZ-CB 3.64Å; F1327-V1347 HydrophobicContact CZ-CG1 3.8Å; F1327-V1347 HydrophobicContact CZ-CG2 3.98Å; F1327-V1347 PolarHBondContact N-O 3.05Å; F1327-V1347 VanDerWaalsContact N-O 3.1Å; F1327-V1347 PolarHBondContact O-N 3.36Å; E1329-V1347 HydrophobicContact CG-CG2 4.04Å; F1345-V1347 PolarHBondContact O-N 3.43Å |
| 1348 | Q | 94.6 | Very high | 94.5 | Very high | 55 Ų | 55 | 45.4 Ų | 45.4 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.5 | 175.2 | -70 | -177.4 | -18.4 | 0 | 0 | 110.1 | I1325 E1326 G1360 G1361 | I1325-Q1348 CarbonylContact O-C 3.15Å; I1325-Q1348 VanDerWaalsContact O-CA 3.28Å; I1325-Q1348 WeakPolarHBondContact O-CA 3.37Å; E1326-Q1348 HydrophobicContact CB-CG 4.33Å; E1326-Q1348 HydrophobicContact CG-CG 4.06Å; E1326-Q1348 PolarHBondContact OE1-NE2 2.88Å; Q1348-G1360 CarbonylContact O-C 3.56Å; Q1348-G1360 VanDerWaalsContact O-C 3.31Å; Q1348-G1361 PolarHBondContact O-N 3.09Å |
| 1349 | A | 95.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 133.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | R1243 I1325 R1359 | R1243-A1349 HydrophobicContact CB-CB 4.1Å; I1325-A1349 WeakPolarHBondContact CA-O 3.43Å; I1325-A1349 HydrophobicContact CB-CB 4.22Å; I1325-A1349 VanDerWaalsContact CB-O 3.31Å; I1325-A1349 WeakPolarHBondContact CB-O 3.3Å; I1325-A1349 HydrophobicContact CD1-CB 4.29Å; I1325-A1349 PolarHBondContact N-O 3.24Å; I1325-A1349 PolarHBondContact O-N 2.83Å; A1349-R1359 WeakPolarHBondContact CA-O 3.45Å |
| 1350 | N | 95.3 | Very high | 94.7 | Very high | 39 Ų | 39 | 42.2 Ų | 42.2 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 176.3 | 176.8 | 62.1 | 66.2 | 0 | 0 | 0 | 111.1 | H1321 R1359 | H1321-N1350 WeakPolarHBondContact O-CA 3.45Å; N1350-R1359 PolarHBondContact N-O 3.09Å; N1350-R1359 PolarHBondContact O-N 3.24Å; N1350-R1359 WeakPolarHBondContact OD1-CG 3.45Å; N1350-R1359 PolarHBondContact OD1-NE 3.17Å; N1350-R1359 PolarHBondContact OD1-NH2 2.78Å |
| 1351 | I | 96.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.4 | 171 | -55.3 | -53.6 | 0 | 0 | 0 | 109.2 | W1247 H1321 I1322 L1353 G1356 F1357 P1358 W1439 | W1247-I1351 HydrophobicContact CH2-CD1 4.32Å; W1247-I1351 HydrophobicContact CZ2-CD1 4.02Å; H1321-I1351 HydrophobicContact CB-CD1 4.25Å; H1321-I1351 HydrophobicContact CB-CG1 4.2Å; H1321-I1351 PolarHBondContact O-N 3.29Å; I1322-I1351 HydrophobicContact CD1-CB 3.86Å; I1322-I1351 HydrophobicContact CD1-CG1 3.97Å; I1322-I1351 HydrophobicContact CD1-CG2 3.92Å; I1351-L1353 PolarHBondContact O-N 3.25Å; I1351-G1356 WeakPolarHBondContact CG2-O 3.41Å; I1351-F1357 WeakPolarHBondContact CA-O 3.23Å; I1351-P1358 HydrophobicContact CD1-CB 4.07Å; I1351-P1358 HydrophobicContact CD1-CG 4.08Å; I1351-W1439 HydrophobicContact CD1-CH2 4.32Å; I1351-W1439 HydrophobicContact CD1-CZ2 3.64Å; I1351-W1439 HydrophobicContact CG1-CH2 4.13Å; I1351-W1439 HydrophobicContact CG1-CZ2 3.63Å; I1351-W1439 HydrophobicContact CG2-CZ2 4.2Å |
| 1352 | D | 95.8 | Very high | 94.7 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 18% | 0.176 | 21% | 0.205 | C | C | . | . | trans | -70.2 | 112.4 | 167.5 | 174.5 | 10.3 | 0 | 0 | 0 | 109.6 | N1354 T1355 G1356 F1357 R1359 | D1352-N1354 PolarHBondContact O-N 2.98Å; D1352-N1354 VanDerWaalsContact O-N 3.16Å; D1352-N1354 WeakPolarHBondContact OD1-CB 2.96Å; D1352-N1354 PolarHBondContact OD1-N 2.86Å; D1352-N1354 PolarHBondContact OD1-ND2 2.93Å; D1352-T1355 WeakPolarHBondContact CB-OG1 3.37Å; D1352-T1355 VanDerWaalsContact CG-OG1 3.23Å; D1352-T1355 PolarHBondContact O-N 2.94Å; D1352-T1355 WeakPolarHBondContact OD2-CG2 3.38Å; D1352-T1355 PolarHBondContact OD2-OG1 2.81Å; D1352-G1356 VanDerWaalsContact O-CA 3.27Å; D1352-G1356 WeakPolarHBondContact O-CA 3.48Å; D1352-G1356 PolarHBondContact O-N 3.39Å; D1352-F1357 PolarHBondContact N-O 2.63Å; D1352-R1359 HydrophobicContact CB-CG 4.44Å | ||
| 1353 | L | 94.3 | Very high | 94.7 | Very high | 92 Ų | 92 | 36.2 Ų | 36.2 | 48% | 0.482 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -8.6 | -176.6 | -60.2 | -179.3 | 0 | 0 | 0 | 114 | I1322 I1351 L1428 M1442 | I1322-L1353 HydrophobicContact CD1-CD2 3.96Å; I1322-L1353 HydrophobicContact CG1-CD2 4.31Å; I1351-L1353 PolarHBondContact O-N 3.25Å; L1353-L1428 HydrophobicContact CD2-CD2 3.77Å; L1353-M1442 WeakPolarHBondContact O-CE 3.2Å |
| 1354 | N | 94.6 | Very high | 94.8 | Very high | 142 Ų | 142 | 35.1 Ų | 35.1 | 76% | 0.759 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -35.6 | 173.4 | -59.5 | -55.7 | 0 | 0 | 0 | 112.2 | D1352 | D1352-N1354 PolarHBondContact O-N 2.98Å; D1352-N1354 VanDerWaalsContact O-N 3.16Å; D1352-N1354 WeakPolarHBondContact OD1-CB 2.96Å; D1352-N1354 PolarHBondContact OD1-N 2.86Å; D1352-N1354 PolarHBondContact OD1-ND2 2.93Å |
| 1355 | T | 97.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -21.2 | -172.8 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | D1352 F1357 M1442 L1443 S1446 | D1352-T1355 WeakPolarHBondContact CB-OG1 3.37Å; D1352-T1355 VanDerWaalsContact CG-OG1 3.23Å; D1352-T1355 PolarHBondContact O-N 2.94Å; D1352-T1355 WeakPolarHBondContact OD2-CG2 3.38Å; D1352-T1355 PolarHBondContact OD2-OG1 2.81Å; T1355-F1357 VanDerWaalsContact C-N 3.25Å; T1355-F1357 HydrophobicContact CG2-CD2 4.14Å; T1355-F1357 HydrophobicContact CG2-CE2 4.1Å; T1355-F1357 WeakPolarHBondContact OG1-CB 3.4Å; T1355-F1357 WeakPolarHBondContact OG1-CD2 3.31Å; T1355-F1357 WeakPolarHBondContact OG1-CG 3.23Å; T1355-F1357 PolarHBondContact OG1-N 3.46Å; T1355-M1442 CarbonylContact O-C 3.1Å; T1355-L1443 PolarHBondContact O-N 2.96Å; T1355-S1446 WeakPolarHBondContact CA-OG 3.32Å |
| 1356 | G | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | 79.6 | 0 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114 | I1351 D1352 W1439 L1443 | I1351-G1356 WeakPolarHBondContact CG2-O 3.41Å; D1352-G1356 VanDerWaalsContact O-CA 3.27Å; D1352-G1356 WeakPolarHBondContact O-CA 3.48Å; D1352-G1356 PolarHBondContact O-N 3.39Å; G1356-W1439 PolarHBondContact O-NE1 2.92Å; G1356-L1443 VanDerWaalsContact C-CD2 3.47Å; G1356-L1443 WeakPolarHBondContact O-CD2 3.44Å | ||
| 1357 | F | 98.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | trans | -74.8 | 137.1 | -171.7 | -63.5 | -20.3 | 0 | 0 | 0 | 113.2 | I1351 D1352 T1355 R1359 V1397 L1443 H1450 F1451 | I1351-F1357 WeakPolarHBondContact CA-O 3.23Å; D1352-F1357 PolarHBondContact N-O 2.63Å; T1355-F1357 VanDerWaalsContact C-N 3.25Å; T1355-F1357 HydrophobicContact CG2-CD2 4.14Å; T1355-F1357 HydrophobicContact CG2-CE2 4.1Å; T1355-F1357 WeakPolarHBondContact OG1-CB 3.4Å; T1355-F1357 WeakPolarHBondContact OG1-CD2 3.31Å; T1355-F1357 WeakPolarHBondContact OG1-CG 3.23Å; T1355-F1357 PolarHBondContact OG1-N 3.46Å; F1357-R1359 PolarHBondContact O-N 2.89Å; F1357-V1397 HydrophobicContact CB-CG2 3.87Å; F1357-V1397 HydrophobicContact CD1-CB 4.25Å; F1357-V1397 HydrophobicContact CD1-CG1 3.43Å; F1357-V1397 VanDerWaalsContact CD1-CG1 3.43Å; F1357-V1397 HydrophobicContact CD1-CG2 3.75Å; F1357-V1397 HydrophobicContact CD2-CG2 4.39Å; F1357-V1397 HydrophobicContact CE1-CG1 3.53Å; F1357-V1397 HydrophobicContact CE1-CG2 4.42Å; F1357-V1397 HydrophobicContact CG-CG1 4.28Å; F1357-V1397 HydrophobicContact CG-CG2 3.75Å; F1357-V1397 HydrophobicContact CZ-CG1 4.43Å; F1357-L1443 HydrophobicContact CD1-CD2 3.81Å; F1357-L1443 HydrophobicContact CE1-CD2 4.44Å; F1357-H1450 HydrophobicContact CE2-CB 3.9Å; F1357-H1450 AromaticContact CE2-CG 3.99Å; F1357-H1450 HydrophobicContact CZ-CB 4.34Å; F1357-F1451 HydrophobicContact CD2-CE2 4.14Å; F1357-F1451 HydrophobicContact CE1-CE2 4.42Å; F1357-F1451 HydrophobicContact CE2-CD2 4.27Å; F1357-F1451 AromaticContact CE2-CE2 3.68Å; F1357-F1451 HydrophobicContact CE2-CE2 3.68Å; F1357-F1451 HydrophobicContact CZ-CD2 4.2Å; F1357-F1451 AromaticContact CZ-CE2 3.84Å; F1357-F1451 HydrophobicContact CZ-CE2 3.84Å | ||
| 1358 | P | 97.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 127.8 | 162.9 | -16.6 | 30 | 0 | 0 | 0 | 110.8 | W1247 I1351 S1392 L1396 A1400 | W1247-P1358 HydrophobicContact CH2-CG 4.12Å; W1247-P1358 HydrophobicContact CZ2-CB 3.91Å; W1247-P1358 HydrophobicContact CZ2-CG 3.61Å; I1351-P1358 HydrophobicContact CD1-CB 4.07Å; I1351-P1358 HydrophobicContact CD1-CG 4.08Å; P1358-S1392 WeakPolarHBondContact O-CA 3.37Å; P1358-L1396 HydrophobicContact CB-CB 4.3Å; P1358-L1396 HydrophobicContact CG-CB 4.47Å; P1358-A1400 HydrophobicContact CG-CB 3.47Å; P1358-A1400 VanDerWaalsContact CG-CB 3.47Å |
| 1359 | R | 95 | Very high | 94.8 | Very high | 115 Ų | 115 | 28.9 Ų | 28.9 | 43% | 0.434 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 175.7 | 177.3 | 68.2 | 167.5 | -172.6 | 137.1 | 4.4 | 111.6 | A1349 N1350 D1352 F1357 | A1349-R1359 WeakPolarHBondContact CA-O 3.45Å; N1350-R1359 PolarHBondContact N-O 3.09Å; N1350-R1359 PolarHBondContact O-N 3.24Å; N1350-R1359 WeakPolarHBondContact OD1-CG 3.45Å; N1350-R1359 PolarHBondContact OD1-NE 3.17Å; N1350-R1359 PolarHBondContact OD1-NH2 2.78Å; D1352-R1359 HydrophobicContact CB-CG 4.44Å; F1357-R1359 PolarHBondContact O-N 2.89Å |
| 1360 | G | 91.4 | Very high | 94.8 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 9% | 0.093 | 15% | 0.152 | C | C | . | . | trans | 121.2 | -179.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1243 Q1348 D1390 | R1243-G1360 PolarHBondContact NE-O 3.45Å; R1243-G1360 PolarHBondContact NH1-O 3.02Å; Q1348-G1360 CarbonylContact O-C 3.56Å; Q1348-G1360 VanDerWaalsContact O-C 3.31Å; G1360-D1390 CarbonylContact C-O 3.57Å; G1360-D1390 PolarHBondContact N-O 3.21Å; G1360-D1390 CarbonylContact O-C 3.55Å; G1360-D1390 WeakPolarHBondContact O-CA 3.36Å | ||
| 1361 | G | 90.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 9% | 0.093 | 15% | 0.151 | C | C | . | . | trans | 100 | -170.4 | -163.4 | 0 | 0 | 0 | 0 | 0 | 109 | Q1348 | Q1348-G1361 PolarHBondContact O-N 3.09Š| ||
| 1362 | N | 93.1 | Very high | 94.7 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 14% | 0.144 | 15% | 0.154 | C | C | . | . | trans | -150.9 | 169.9 | 172.3 | 67.7 | 64.9 | 0 | 0 | 0 | 109.4 | E1343 K1346 F1364 N1365 | E1343-N1362 PolarHBondContact O-ND2 3.08Å; K1346-N1362 PolarHBondContact O-ND2 3.22Å; N1362-F1364 PolarHBondContact O-N 3.44Å; N1362-F1364 WeakPolarHBondContact OD1-CA 3.37Å; N1362-F1364 WeakPolarHBondContact OD1-CB 3.27Å; N1362-F1364 PolarHBondContact OD1-N 3.43Å; N1362-N1365 PolarHBondContact O-N 3.39Å; N1362-N1365 PolarHBondContact OD1-N 3.02Å | ||
| 1363 | A | 93.3 | Very high | 94.7 | Very high | 34 Ų | 34 | 28.9 Ų | 28.9 | 28% | 0.281 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -15.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1385 D1390 S1476 | A1363-P1385 WeakPolarHBondContact O-CD 3.48Å; A1363-D1390 PolarHBondContact N-OD2 3.47Å; A1363-S1476 WeakPolarHBondContact CB-OG 3.36Å |
| 1364 | F | 94.7 | Very high | 94.8 | Very high | 73 Ų | 73 | 24.5 Ų | 24.5 | 32% | 0.32 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 2 | -177.4 | -53.8 | -75.6 | 0 | 0 | 0 | 113.4 | K1341 E1343 G1344 N1362 M1373 | K1341-F1364 HydrophobicContact CD-CD1 3.86Å; K1341-F1364 HydrophobicContact CD-CE1 4.08Å; E1343-F1364 HydrophobicContact CB-CB 4.1Å; E1343-F1364 HydrophobicContact CB-CD2 3.64Å; E1343-F1364 HydrophobicContact CB-CE2 4.39Å; E1343-F1364 HydrophobicContact CB-CG 4.06Å; E1343-F1364 HydrophobicContact CG-CD2 4.25Å; G1344-F1364 WeakPolarHBondContact CA-O 3.38Å; N1362-F1364 PolarHBondContact O-N 3.44Å; N1362-F1364 WeakPolarHBondContact OD1-CA 3.37Å; N1362-F1364 WeakPolarHBondContact OD1-CB 3.27Å; N1362-F1364 PolarHBondContact OD1-N 3.43Å; F1364-M1373 WeakPolarHBondContact O-CE 3.27Å |
| 1365 | N | 92.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | trans | -110.3 | 144.3 | -178.8 | 175.6 | -106.7 | 0 | 0 | 0 | 111.7 | N1241 G1344 N1362 G1367 | N1241-N1365 PolarHBondContact O-ND2 3.11Å; G1344-N1365 PolarHBondContact O-ND2 3.46Å; N1362-N1365 PolarHBondContact O-N 3.39Å; N1362-N1365 PolarHBondContact OD1-N 3.02Å; N1365-G1367 WeakPolarHBondContact OD1-CA 3.43Å; N1365-G1367 PolarHBondContact OD1-N 3.21Å | ||
| 1366 | C | 93.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | trans | -97.6 | 76.7 | 173.9 | -69.3 | 0 | 0 | 0 | 0 | 110.7 | T1368 D1371 | C1366-T1368 PolarHBondContact O-N 2.83Å; C1366-D1371 HydrophobicContact CB-CB 3.72Å; C1366-D1371 PolarHBondContact SG-O 3.49Å | ||
| 1367 | G | 92.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | trans | -82.1 | -7.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | R1243 N1365 | R1243-G1367 WeakPolarHBondContact CG-O 3.03Å; R1243-G1367 PolarHBondContact N-O 2.8Å; N1365-G1367 WeakPolarHBondContact OD1-CA 3.43Å; N1365-G1367 PolarHBondContact OD1-N 3.21Å | ||
| 1368 | T | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -128.1 | 179.4 | -174.2 | 73.9 | 0 | 0 | 0 | 0 | 111.7 | R1191 D1244 C1366 M1370 D1371 R1389 A1393 | R1191-T1368 VanDerWaalsContact NH1-C 3.35Å; R1191-T1368 PolarHBondContact NH1-O 2.74Å; R1191-T1368 VanDerWaalsContact NH1-O 3.12Å; D1244-T1368 WeakPolarHBondContact OD2-CA 3.48Å; C1366-T1368 PolarHBondContact O-N 2.83Å; T1368-M1370 PolarHBondContact O-N 3.3Å; T1368-M1370 VanDerWaalsContact O-N 3.13Å; T1368-M1370 PolarHBondContact OG1-N 3.34Å; T1368-D1371 WeakPolarHBondContact O-CB 3.42Å; T1368-R1389 HydrophobicContact CG2-CB 4.08Å; T1368-R1389 PolarHBondContact OG1-NH1 3.01Å; T1368-A1393 HydrophobicContact CG2-CB 4.27Å |
| 1369 | W | 95.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -59 | -22.2 | 176.7 | 83.4 | -94 | 0 | 0 | 0 | 115.1 | D1244 D1371 N1487 T1523 H1553 W1558 W1560 P1561 | D1244-W1369 PolarHBondContact OD2-N 2.92Å; W1369-D1371 VanDerWaalsContact C-N 3.26Å; W1369-D1371 PolarHBondContact O-N 2.83Å; W1369-D1371 VanDerWaalsContact O-N 3.1Å; W1369-N1487 VanDerWaalsContact CE2-OD1 3.28Å; W1369-N1487 VanDerWaalsContact CZ2-OD1 3.32Å; W1369-N1487 WeakPolarHBondContact CZ2-OD1 3.33Å; W1369-N1487 PolarHBondContact NE1-OD1 3.31Å; W1369-T1523 HydrophobicContact CH2-CG2 3.99Å; W1369-H1553 AromaticContact CE3-CE1 3.95Å; W1369-H1553 AromaticContact CZ3-CE1 3.88Å; W1369-H1553 AromaticContact CZ3-ND1 3.65Å; W1369-H1553 PolarHBondContact O-CE1 2.75Å; W1369-W1558 HydrophobicContact CE3-CE3 4.39Å; W1369-W1558 HydrophobicContact CE3-CH2 4.44Å; W1369-W1558 HydrophobicContact CE3-CZ3 4.14Å; W1369-W1558 HydrophobicContact CH2-CD2 4.33Å; W1369-W1558 HydrophobicContact CH2-CE3 4.38Å; W1369-W1558 AromaticContact CZ3-CD2 3.79Å; W1369-W1558 HydrophobicContact CZ3-CD2 3.79Å; W1369-W1558 AromaticContact CZ3-CE3 3.6Å; W1369-W1558 HydrophobicContact CZ3-CE3 3.6Å; W1369-W1558 HydrophobicContact CZ3-CG 4.43Å; W1369-W1558 HydrophobicContact CZ3-CH2 4.1Å; W1369-W1558 HydrophobicContact CZ3-CZ2 4.26Å; W1369-W1558 AromaticContact CZ3-CZ3 3.75Å; W1369-W1558 HydrophobicContact CZ3-CZ3 3.75Å; W1369-W1560 AromaticContact CD2-CZ2 3.67Å; W1369-W1560 HydrophobicContact CD2-CZ2 3.67Å; W1369-W1560 AromaticContact CE2-CZ2 3.6Å; W1369-W1560 AromaticContact CE3-CZ2 3.97Å; W1369-W1560 HydrophobicContact CE3-CZ2 3.97Å; W1369-W1560 HydrophobicContact CG-CZ2 4.1Å; W1369-W1560 HydrophobicContact CH2-CZ2 4.11Å; W1369-W1560 AromaticContact CZ2-CZ2 3.81Å; W1369-W1560 HydrophobicContact CZ2-CZ2 3.81Å; W1369-W1560 HydrophobicContact CZ3-CZ2 4.2Å; W1369-W1560 AromaticContact CZ3-NE1 3.8Å; W1369-P1561 HydrophobicContact CH2-CG 4.42Å |
| 1370 | M | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -84.2 | 69.4 | 172.9 | -61.7 | -171.9 | 162.6 | 0 | 0 | 109.9 | T1368 T1387 R1485 N1487 H1553 | T1368-M1370 PolarHBondContact O-N 3.3Å; T1368-M1370 VanDerWaalsContact O-N 3.13Å; T1368-M1370 PolarHBondContact OG1-N 3.34Å; M1370-T1387 HydrophobicContact CB-CG2 4.48Å; M1370-T1387 VanDerWaalsContact CB-OG1 3.31Å; M1370-T1387 WeakPolarHBondContact CB-OG1 3.45Å; M1370-T1387 PolarHBondContact O-OG1 3.12Å; M1370-T1387 HydrophobicContact SD-CG2 4.48Å; M1370-R1485 HydrophobicContact CE-CB 4.42Å; M1370-N1487 WeakPolarHBondContact CE-ND2 3.38Å; M1370-H1553 WeakPolarHBondContact CA-CD2 3.42Å; M1370-H1553 WeakPolarHBondContact CA-NE2 3.35Å; M1370-H1553 HydrophobicContact CB-CB 4.03Å; M1370-H1553 HydrophobicContact CG-CB 4.12Å; M1370-H1553 HydrophobicContact SD-CB 4.32Å | ||
| 1371 | D | 94 | Very high | 94.8 | Very high | 36 Ų | 36 | 25.5 Ų | 25.5 | 19% | 0.193 | 15% | 0.154 | C | C | . | . | trans | -104 | 25.5 | -162.6 | 61.5 | -6.5 | 0 | 0 | 0 | 117 | R1191 C1366 T1368 W1369 M1373 H1553 | R1191-D1371 IonicContact CZ-OD2 3.74Å; R1191-D1371 IonicContact NH1-OD2 2.67Å; R1191-D1371 IonicContact NH2-OD1 2.92Å; R1191-D1371 IonicContact NH2-OD2 3.78Å; R1191-D1371 PolarHBondContact NH2-OD2 3.45Å; C1366-D1371 HydrophobicContact CB-CB 3.72Å; C1366-D1371 PolarHBondContact SG-O 3.49Å; T1368-D1371 WeakPolarHBondContact O-CB 3.42Å; W1369-D1371 VanDerWaalsContact C-N 3.26Å; W1369-D1371 PolarHBondContact O-N 2.83Å; W1369-D1371 VanDerWaalsContact O-N 3.1Å; D1371-M1373 PolarHBondContact O-N 3.36Å; D1371-M1373 VanDerWaalsContact O-N 3.1Å; D1371-H1553 PolarHBondContact N-NE2 3.42Å; D1371-H1553 VanDerWaalsContact N-NE2 3.11Å; D1371-H1553 IonicContact OD1-NE2 2.8Å | ||
| 1372 | K | 95.2 | Very high | 95.1 | Very high | 26 Ų | 26 | 28.2 Ų | 28.2 | 11% | 0.113 | 16% | 0.164 | C | C | . | . | trans | -68.4 | 111.2 | 176.8 | -174.6 | 62.6 | -179.1 | -173 | 0 | 113.1 | A1386 N1537 R1548 G1549 Y1552 | K1372-A1386 HydrophobicContact CB-CB 4.14Å; K1372-A1386 HydrophobicContact CG-CB 4.41Å; K1372-A1386 PolarHBondContact O-N 3.45Å; K1372-N1537 PolarHBondContact NZ-OD1 3.18Å; K1372-N1537 VanDerWaalsContact NZ-OD1 3.12Å; K1372-R1548 WeakPolarHBondContact CE-O 3.37Å; K1372-R1548 PolarHBondContact NZ-O 3.43Å; K1372-G1549 VanDerWaalsContact CE-O 3.26Å; K1372-G1549 WeakPolarHBondContact CE-O 3.45Å; K1372-Y1552 HydrophobicContact CB-CD1 4.23Å | ||
| 1373 | M | 95.9 | Very high | 95.2 | Very high | 19 Ų | 19 | 27 Ų | 27 | 9% | 0.094 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -85.3 | 131.1 | 164.8 | -174.9 | 58.2 | 70.4 | 0 | 0 | 110.5 | H1339 M1340 F1364 D1371 G1383 P1385 | H1339-M1373 HydrophobicContact CB-CG 4.33Å; M1340-M1373 HydrophobicContact CB-CE 4.37Å; M1340-M1373 HydrophobicContact CE-CE 3.79Å; M1340-M1373 HydrophobicContact CG-CE 4.06Å; F1364-M1373 WeakPolarHBondContact O-CE 3.27Å; D1371-M1373 PolarHBondContact O-N 3.36Å; D1371-M1373 VanDerWaalsContact O-N 3.1Å; M1373-G1383 VanDerWaalsContact SD-CA 3.57Å; M1373-P1385 HydrophobicContact CE-CG 3.8Å; M1373-P1385 HydrophobicContact SD-CG 4.26Å |
| 1374 | G | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -68.6 | 142.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | N1381 Q1382 G1383 I1384 | G1374-N1381 CarbonylContact C-O 3.57Å; G1374-N1381 WeakPolarHBondContact CA-O 3.35Å; G1374-Q1382 CarbonylContact O-C 3.52Å; G1374-Q1382 VanDerWaalsContact O-CA 3.31Å; G1374-Q1382 WeakPolarHBondContact O-CA 3.23Å; G1374-G1383 PolarHBondContact O-N 2.81Å; G1374-I1384 PolarHBondContact N-O 2.77Å | ||
| 1375 | S | 95.6 | Very high | 95.3 | Very high | 20 Ų | 20 | 24.7 Ų | 24.7 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | trans | -136.6 | 8 | -173.1 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | H1339 N1381 R1548 | H1339-S1375 WeakPolarHBondContact CD2-CB 3.27Å; H1339-S1375 VanDerWaalsContact CG-CB 3.49Å; H1339-S1375 WeakPolarHBondContact NE2-CB 3.5Å; S1375-N1381 PolarHBondContact N-OD1 3.17Å; S1375-R1548 WeakPolarHBondContact OG-CB 3.31Å | ||
| 1376 | S | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | trans | -96.6 | 109.3 | 175.7 | -175.1 | 0 | 0 | 0 | 0 | 111 | K1378 A1379 G1380 N1381 Q1382 D1540 | S1376-K1378 PolarHBondContact O-N 3.48Å; S1376-K1378 PolarHBondContact OG-N 3.35Å; S1376-A1379 PolarHBondContact OG-N 3.23Å; S1376-G1380 PolarHBondContact O-N 2.92Å; S1376-N1381 WeakPolarHBondContact CA-OD1 3.47Å; S1376-N1381 WeakPolarHBondContact CB-OD1 3.46Å; S1376-N1381 PolarHBondContact N-OD1 3.08Å; S1376-N1381 PolarHBondContact O-N 2.88Å; S1376-N1381 VanDerWaalsContact O-N 3.11Å; S1376-N1381 PolarHBondContact O-OD1 3.36Å; S1376-Q1382 PolarHBondContact O-N 3.07Å; S1376-D1540 VanDerWaalsContact CB-OD1 3.31Å; S1376-D1540 WeakPolarHBondContact CB-OD1 3.47Å; S1376-D1540 PolarHBondContact OG-OD1 3.14Å | ||
| 1377 | S | 95.1 | Very high | 95.5 | Very high | 90 Ų | 90 | 25.1 Ų | 25.1 | 63% | 0.629 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -36.2 | 167.7 | -30.9 | 0 | 0 | 0 | 0 | 110.6 | G1380 Q1382 | S1377-G1380 PolarHBondContact O-N 2.65Å; S1377-Q1382 PolarHBondContact OG-OE1 3.46Å |
| 1378 | K | 96.1 | Very high | 95.6 | Very high | 128 Ų | 128 | 26.4 Ų | 26.4 | 56% | 0.557 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -42.6 | -177.4 | 178.8 | 178.9 | 169.3 | -168.7 | 0 | 112.8 | S1376 G1380 D1540 C1542 | S1376-K1378 PolarHBondContact O-N 3.48Å; S1376-K1378 PolarHBondContact OG-N 3.35Å; K1378-G1380 VanDerWaalsContact C-N 3.32Å; K1378-D1540 WeakPolarHBondContact CD-O 3.39Å; K1378-D1540 WeakPolarHBondContact CE-O 3.42Å; K1378-D1540 PolarHBondContact NZ-O 3.3Å; K1378-C1542 WeakPolarHBondContact CE-SG 3.37Å |
| 1379 | A | 96.4 | Very high | 95.6 | Very high | 14 Ų | 14 | 26.9 Ų | 26.9 | 12% | 0.116 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -7.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1376 N1381 F1544 A1547 | S1376-A1379 PolarHBondContact OG-N 3.23Å; A1379-N1381 VanDerWaalsContact C-N 3.33Å; A1379-F1544 WeakPolarHBondContact O-CD2 2.82Å; A1379-A1547 HydrophobicContact CB-CB 3.37Å |
| 1380 | G | 96.2 | Very high | 95.5 | Very high | 46 Ų | 46 | 28 Ų | 28 | 47% | 0.474 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 16.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1376 S1377 K1378 F1544 | S1376-G1380 PolarHBondContact O-N 2.92Å; S1377-G1380 PolarHBondContact O-N 2.65Å; K1378-G1380 VanDerWaalsContact C-N 3.32Å; G1380-F1544 WeakPolarHBondContact O-CE2 3.33Å |
| 1381 | N | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -96.4 | -4.3 | 179.9 | 73.8 | 15.4 | 0 | 0 | 0 | 114.2 | G1374 S1375 S1376 A1379 G1383 I1384 F1544 A1547 F1550 | G1374-N1381 CarbonylContact C-O 3.57Å; G1374-N1381 WeakPolarHBondContact CA-O 3.35Å; S1375-N1381 PolarHBondContact N-OD1 3.17Å; S1376-N1381 WeakPolarHBondContact CA-OD1 3.47Å; S1376-N1381 WeakPolarHBondContact CB-OD1 3.46Å; S1376-N1381 PolarHBondContact N-OD1 3.08Å; S1376-N1381 PolarHBondContact O-N 2.88Å; S1376-N1381 VanDerWaalsContact O-N 3.11Å; S1376-N1381 PolarHBondContact O-OD1 3.36Å; A1379-N1381 VanDerWaalsContact C-N 3.33Å; N1381-G1383 PolarHBondContact O-N 3.13Å; N1381-I1384 WeakPolarHBondContact O-CB 3.47Å; N1381-I1384 PolarHBondContact O-N 3.43Å; N1381-I1384 VanDerWaalsContact O-N 3.16Å; N1381-F1544 VanDerWaalsContact CA-CE2 3.43Å; N1381-F1544 HydrophobicContact CB-CD1 4.33Å; N1381-F1544 HydrophobicContact CB-CD2 3.55Å; N1381-F1544 HydrophobicContact CB-CE1 4.21Å; N1381-F1544 HydrophobicContact CB-CE2 3.42Å; N1381-F1544 VanDerWaalsContact CB-CE2 3.42Å; N1381-F1544 HydrophobicContact CB-CG 4.01Å; N1381-F1544 HydrophobicContact CB-CZ 3.76Å; N1381-F1544 PolarHBondContact ND2-O 3.46Å; N1381-A1547 PolarHBondContact ND2-O 3.5Å; N1381-A1547 VanDerWaalsContact ND2-O 3.12Å; N1381-F1550 HydrophobicContact CB-CD2 3.96Å; N1381-F1550 HydrophobicContact CB-CE2 3.97Å | ||
| 1382 | Q | 95.5 | Very high | 95.6 | Very high | 66 Ų | 66 | 26.7 Ų | 26.7 | 31% | 0.308 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 128.8 | -179.2 | -173.3 | 174.8 | 0.3 | 0 | 0 | 112.8 | H1339 G1374 S1376 S1377 I1384 | H1339-Q1382 HydrophobicContact CB-CG 4.31Å; G1374-Q1382 CarbonylContact O-C 3.52Å; G1374-Q1382 VanDerWaalsContact O-CA 3.31Å; G1374-Q1382 WeakPolarHBondContact O-CA 3.23Å; S1376-Q1382 PolarHBondContact O-N 3.07Å; S1377-Q1382 PolarHBondContact OG-OE1 3.46Å; Q1382-I1384 VanDerWaalsContact C-N 3.26Å; Q1382-I1384 PolarHBondContact O-N 3.1Å |
| 1383 | G | 95 | Very high | 95.7 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 17.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1339 K1341 M1373 G1374 N1381 | H1339-G1383 WeakPolarHBondContact O-CA 3.38Å; H1339-G1383 PolarHBondContact O-N 3.12Å; K1341-G1383 WeakPolarHBondContact CD-O 3.37Å; M1373-G1383 VanDerWaalsContact SD-CA 3.57Å; G1374-G1383 PolarHBondContact O-N 2.81Å; N1381-G1383 PolarHBondContact O-N 3.13Å |
| 1384 | I | 95.5 | Very high | 95.9 | Very high | 54 Ų | 54 | 24.5 Ų | 24.5 | 28% | 0.277 | 15% | 0.148 | S | C | . | . | trans | -111.5 | 120.8 | 173 | -57.5 | 176.3 | 0 | 0 | 0 | 107.4 | G1374 N1381 Q1382 F1544 F1550 | G1374-I1384 PolarHBondContact N-O 2.77Å; N1381-I1384 WeakPolarHBondContact O-CB 3.47Å; N1381-I1384 PolarHBondContact O-N 3.43Å; N1381-I1384 VanDerWaalsContact O-N 3.16Å; Q1382-I1384 VanDerWaalsContact C-N 3.26Å; Q1382-I1384 PolarHBondContact O-N 3.1Å; I1384-F1544 HydrophobicContact CD1-CE2 3.97Å; I1384-F1544 HydrophobicContact CD1-CZ 4.05Å; I1384-F1544 HydrophobicContact CG2-CZ 4.36Å; I1384-F1550 WeakPolarHBondContact O-CE2 3.49Å | ||
| 1385 | P | 95.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 3% | 0.032 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -65.2 | 137.1 | 171 | -18.5 | 29.1 | 0 | 0 | 0 | 111.2 | A1363 M1373 T1387 P1388 | A1363-P1385 WeakPolarHBondContact O-CD 3.48Å; M1373-P1385 HydrophobicContact CE-CG 3.8Å; M1373-P1385 HydrophobicContact SD-CG 4.26Å; P1385-T1387 VanDerWaalsContact C-N 3.26Å; P1385-T1387 PolarHBondContact O-N 2.72Å; P1385-P1388 HydrophobicContact CB-CB 4.26Å; P1385-P1388 HydrophobicContact CB-CG 3.9Å; P1385-P1388 HydrophobicContact CG-CB 4.48Å; P1385-P1388 HydrophobicContact CG-CG 4.29Å |
| 1386 | A | 94.9 | Very high | 96.1 | Very high | 14 Ų | 14 | 23.6 Ų | 23.6 | 12% | 0.116 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -66.7 | -32.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1372 F1550 | K1372-A1386 HydrophobicContact CB-CB 4.14Å; K1372-A1386 HydrophobicContact CG-CB 4.41Å; K1372-A1386 PolarHBondContact O-N 3.45Å; A1386-F1550 VanDerWaalsContact CA-CZ 3.47Å; A1386-F1550 HydrophobicContact CB-CD1 4.16Å; A1386-F1550 HydrophobicContact CB-CD2 4.29Å; A1386-F1550 HydrophobicContact CB-CE1 3.86Å; A1386-F1550 HydrophobicContact CB-CE2 4.01Å; A1386-F1550 HydrophobicContact CB-CG 4.38Å; A1386-F1550 HydrophobicContact CB-CZ 3.79Å; A1386-F1550 WeakPolarHBondContact CB-O 3.48Å |
| 1387 | T | 95.1 | Very high | 96.2 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | trans | -144.6 | 73.3 | -174.6 | 37.8 | 0 | 0 | 0 | 0 | 110.5 | M1370 P1385 R1389 H1553 | M1370-T1387 HydrophobicContact CB-CG2 4.48Å; M1370-T1387 VanDerWaalsContact CB-OG1 3.31Å; M1370-T1387 WeakPolarHBondContact CB-OG1 3.45Å; M1370-T1387 PolarHBondContact O-OG1 3.12Å; M1370-T1387 HydrophobicContact SD-CG2 4.48Å; P1385-T1387 VanDerWaalsContact C-N 3.26Å; P1385-T1387 PolarHBondContact O-N 2.72Å; T1387-R1389 VanDerWaalsContact C-N 3.33Å; T1387-R1389 PolarHBondContact O-N 3.11Å; T1387-H1553 HydrophobicContact CG2-CB 4.43Å | ||
| 1388 | P | 94.5 | Very high | 96.3 | Very high | 28 Ų | 28 | 19.2 Ų | 19.2 | 18% | 0.182 | 11% | 0.111 | C | C | . | . | trans | -58.3 | -42 | -175.7 | -17.2 | 23.6 | 0 | 0 | 0 | 113.5 | P1385 D1390 | P1385-P1388 HydrophobicContact CB-CB 4.26Å; P1385-P1388 HydrophobicContact CB-CG 3.9Å; P1385-P1388 HydrophobicContact CG-CB 4.48Å; P1385-P1388 HydrophobicContact CG-CG 4.29Å; P1388-D1390 VanDerWaalsContact C-N 3.28Å; P1388-D1390 PolarHBondContact O-N 3.36Å | ||
| 1389 | R | 95.7 | Very high | 96.4 | Very high | 10 Ų | 10 | 13.1 Ų | 13.1 | 4% | 0.038 | 9% | 0.085 | C | C | . | . | trans | 47.4 | 48 | 178.6 | -59.6 | 178.3 | 77.2 | -137.4 | -1.8 | 112.1 | R1243 T1368 T1387 G1391 E1395 D1471 N1487 | R1243-R1389 PolarHBondContact NH2-O 3.39Å; T1368-R1389 HydrophobicContact CG2-CB 4.08Å; T1368-R1389 PolarHBondContact OG1-NH1 3.01Å; T1387-R1389 VanDerWaalsContact C-N 3.33Å; T1387-R1389 PolarHBondContact O-N 3.11Å; R1389-G1391 VanDerWaalsContact C-N 3.27Å; R1389-G1391 PolarHBondContact O-N 2.79Å; R1389-E1395 IonicContact CZ-OE1 3.24Å; R1389-E1395 IonicContact CZ-OE2 2.88Å; R1389-E1395 IonicContact NH1-OE1 3.84Å; R1389-E1395 PolarHBondContact NH1-OE1 3.47Å; R1389-E1395 IonicContact NH1-OE2 3.61Å; R1389-E1395 IonicContact NH2-OE1 2.95Å; R1389-E1395 PolarHBondContact NH2-OE1 3.1Å; R1389-E1395 IonicContact NH2-OE2 2.82Å; R1389-E1395 PolarHBondContact NH2-OE2 3.28Å; R1389-D1471 IonicContact CZ-OD1 3.59Å; R1389-D1471 IonicContact CZ-OD2 2.99Å; R1389-D1471 IonicContact NE-OD1 3.09Å; R1389-D1471 PolarHBondContact NE-OD1 3.47Å; R1389-D1471 IonicContact NE-OD2 2.71Å; R1389-D1471 PolarHBondContact NE-OD2 3.1Å; R1389-D1471 PolarHBondContact NH2-O 3.49Å; R1389-D1471 IonicContact NH2-OD1 3.31Å; R1389-D1471 PolarHBondContact NH2-OD1 3.27Å; R1389-D1471 IonicContact NH2-OD2 3.49Å; R1389-N1487 PolarHBondContact NH2-ND2 3.17Å | ||
| 1390 | D | 94.4 | Very high | 96.5 | Very high | 25 Ų | 25 | 12.5 Ų | 12.5 | 13% | 0.134 | 8% | 0.079 | C | C | . | . | trans | -80.6 | 0.4 | -176 | 64.6 | -27.4 | 0 | 0 | 0 | 114.8 | G1360 A1363 P1388 S1475 S1476 | G1360-D1390 CarbonylContact C-O 3.57Å; G1360-D1390 PolarHBondContact N-O 3.21Å; G1360-D1390 CarbonylContact O-C 3.55Å; G1360-D1390 WeakPolarHBondContact O-CA 3.36Å; A1363-D1390 PolarHBondContact N-OD2 3.47Å; P1388-D1390 VanDerWaalsContact C-N 3.28Å; P1388-D1390 PolarHBondContact O-N 3.36Å; D1390-S1475 WeakPolarHBondContact OD1-CA 3.48Å; D1390-S1475 WeakPolarHBondContact OD1-CB 2.9Å; D1390-S1476 PolarHBondContact OD1-N 2.84Å; D1390-S1476 PolarHBondContact OD1-OG 3.3Å; D1390-S1476 VanDerWaalsContact OD2-CB 3.31Å; D1390-S1476 WeakPolarHBondContact OD2-CB 3.34Å; D1390-S1476 PolarHBondContact OD2-OG 2.67Å | ||
| 1391 | G | 94.9 | Very high | 96.6 | Very high | 3 Ų | 3 | 11 Ų | 11 | 3% | 0.031 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -84 | -153.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1243 R1389 A1393 | R1243-G1391 VanDerWaalsContact CZ-O 3.25Å; R1243-G1391 PolarHBondContact NH1-O 3.36Å; R1243-G1391 PolarHBondContact NH2-O 2.9Å; R1389-G1391 VanDerWaalsContact C-N 3.27Å; R1389-G1391 PolarHBondContact O-N 2.79Å; G1391-A1393 PolarHBondContact O-N 2.71Å |
| 1392 | S | 97.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 11.4 Ų | 11.4 | 4% | 0.035 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 98.2 | 172.2 | -48.9 | 0 | 0 | 0 | 0 | 109.7 | P1358 F1451 S1472 V1473 | P1358-S1392 WeakPolarHBondContact O-CA 3.37Å; S1392-F1451 WeakPolarHBondContact O-CZ 3.38Å; S1392-S1472 CarbonylContact O-C 3.5Å; S1392-S1472 WeakPolarHBondContact O-CA 3.45Å; S1392-S1472 WeakPolarHBondContact O-CB 3.5Å; S1392-V1473 PolarHBondContact N-O 3.39Å; S1392-V1473 PolarHBondContact O-N 3.07Å; S1392-V1473 PolarHBondContact OG-O 2.85Å |
| 1393 | A | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 133.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1368 G1391 E1395 L1396 V1397 | T1368-A1393 HydrophobicContact CG2-CB 4.27Å; G1391-A1393 PolarHBondContact O-N 2.71Å; A1393-E1395 VanDerWaalsContact C-N 3.31Å; A1393-E1395 PolarHBondContact O-N 3.25Å; A1393-L1396 HydrophobicContact CB-CD1 4.15Å; A1393-L1396 HydrophobicContact CB-CG 4.04Å; A1393-L1396 PolarHBondContact O-N 2.69Å; A1393-V1397 PolarHBondContact O-N 2.83Å |
| 1394 | V | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58 | -38.6 | -169 | 66.3 | 0 | 0 | 0 | 0 | 113.6 | V1397 G1398 F1447 F1451 D1471 N1487 F1488 T1491 | V1394-V1397 PolarHBondContact O-N 3.01Å; V1394-G1398 PolarHBondContact O-N 2.73Å; V1394-G1398 VanDerWaalsContact O-N 3.14Å; V1394-F1447 HydrophobicContact CG2-CE2 4.01Å; V1394-F1447 HydrophobicContact CG2-CZ 4.14Å; V1394-F1451 HydrophobicContact CB-CD1 3.88Å; V1394-F1451 HydrophobicContact CB-CE1 3.54Å; V1394-F1451 HydrophobicContact CB-CZ 4.3Å; V1394-F1451 HydrophobicContact CG2-CD1 3.71Å; V1394-F1451 HydrophobicContact CG2-CE1 3.83Å; V1394-F1451 HydrophobicContact CG2-CG 4.32Å; V1394-D1471 WeakPolarHBondContact CB-O 3.23Å; V1394-D1471 WeakPolarHBondContact CG1-O 3.21Å; V1394-D1471 PolarHBondContact N-O 2.85Å; V1394-N1487 HydrophobicContact CG1-CB 3.7Å; V1394-F1488 HydrophobicContact CG1-CB 4.06Å; V1394-F1488 HydrophobicContact CG2-CB 3.97Å; V1394-T1491 VanDerWaalsContact C-OG1 3.25Å; V1394-T1491 PolarHBondContact O-OG1 2.9Å |
| 1395 | E | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -70 | -33.1 | 179.3 | 74.5 | -76.7 | -170.7 | 0 | 0 | 112.4 | R1389 A1393 G1398 L1399 I1490 T1491 | R1389-E1395 IonicContact CZ-OE1 3.24Å; R1389-E1395 IonicContact CZ-OE2 2.88Å; R1389-E1395 IonicContact NH1-OE1 3.84Å; R1389-E1395 PolarHBondContact NH1-OE1 3.47Å; R1389-E1395 IonicContact NH1-OE2 3.61Å; R1389-E1395 IonicContact NH2-OE1 2.95Å; R1389-E1395 PolarHBondContact NH2-OE1 3.1Å; R1389-E1395 IonicContact NH2-OE2 2.82Å; R1389-E1395 PolarHBondContact NH2-OE2 3.28Å; A1393-E1395 VanDerWaalsContact C-N 3.31Å; A1393-E1395 PolarHBondContact O-N 3.25Å; E1395-G1398 PolarHBondContact O-N 3.38Å; E1395-L1399 WeakPolarHBondContact O-CB 3.41Å; E1395-L1399 VanDerWaalsContact O-CG 3.26Å; E1395-L1399 WeakPolarHBondContact O-CG 3.28Å; E1395-L1399 PolarHBondContact O-N 3.01Å; E1395-I1490 HydrophobicContact CB-CB 3.88Å; E1395-I1490 HydrophobicContact CB-CD1 3.73Å; E1395-I1490 HydrophobicContact CB-CG1 4.44Å; E1395-I1490 HydrophobicContact CB-CG2 4.02Å; E1395-I1490 HydrophobicContact CG-CD1 4.1Å; E1395-T1491 WeakPolarHBondContact CA-OG1 3.4Å; E1395-T1491 PolarHBondContact N-OG1 3.33Å |
| 1396 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -70.8 | -37 | 177 | -55.5 | -172 | 0 | 0 | 0 | 111.2 | R1243 D1244 W1247 P1358 A1393 G1398 L1399 A1400 | R1243-L1396 HydrophobicContact CG-CD1 4.26Å; D1244-L1396 HydrophobicContact CB-CD1 4.29Å; D1244-L1396 HydrophobicContact CB-CD2 3.4Å; D1244-L1396 HydrophobicContact CB-CG 4.44Å; W1247-L1396 HydrophobicContact CB-CD2 4.43Å; P1358-L1396 HydrophobicContact CB-CB 4.3Å; P1358-L1396 HydrophobicContact CG-CB 4.47Å; A1393-L1396 HydrophobicContact CB-CD1 4.15Å; A1393-L1396 HydrophobicContact CB-CG 4.04Å; A1393-L1396 PolarHBondContact O-N 2.69Å; L1396-G1398 VanDerWaalsContact C-N 3.32Å; L1396-L1399 HydrophobicContact CD2-CD1 4.3Å; L1396-L1399 PolarHBondContact O-N 2.88Å; L1396-A1400 WeakPolarHBondContact O-CB 3.47Å; L1396-A1400 PolarHBondContact O-N 3.39Å |
| 1397 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 172.3 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | F1357 A1393 V1394 Y1401 L1443 F1447 F1451 | F1357-V1397 HydrophobicContact CB-CG2 3.87Å; F1357-V1397 HydrophobicContact CD1-CB 4.25Å; F1357-V1397 HydrophobicContact CD1-CG1 3.43Å; F1357-V1397 VanDerWaalsContact CD1-CG1 3.43Å; F1357-V1397 HydrophobicContact CD1-CG2 3.75Å; F1357-V1397 HydrophobicContact CD2-CG2 4.39Å; F1357-V1397 HydrophobicContact CE1-CG1 3.53Å; F1357-V1397 HydrophobicContact CE1-CG2 4.42Å; F1357-V1397 HydrophobicContact CG-CG1 4.28Å; F1357-V1397 HydrophobicContact CG-CG2 3.75Å; F1357-V1397 HydrophobicContact CZ-CG1 4.43Å; A1393-V1397 PolarHBondContact O-N 2.83Å; V1394-V1397 PolarHBondContact O-N 3.01Å; V1397-Y1401 WeakPolarHBondContact O-CB 3.38Å; V1397-Y1401 PolarHBondContact O-N 3.22Å; V1397-L1443 HydrophobicContact CG1-CD2 4.21Å; V1397-F1447 HydrophobicContact CG1-CD2 3.78Å; V1397-F1447 HydrophobicContact CG1-CE2 4.31Å; V1397-F1451 HydrophobicContact CB-CE2 4.38Å; V1397-F1451 HydrophobicContact CB-CZ 4.49Å; V1397-F1451 HydrophobicContact CG1-CE2 4.35Å; V1397-F1451 HydrophobicContact CG2-CE2 3.95Å; V1397-F1451 HydrophobicContact CG2-CZ 3.87Å |
| 1398 | G | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -63.5 | -48.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1394 E1395 L1396 Y1401 A1402 | V1394-G1398 PolarHBondContact O-N 2.73Å; V1394-G1398 VanDerWaalsContact O-N 3.14Å; E1395-G1398 PolarHBondContact O-N 3.38Å; L1396-G1398 VanDerWaalsContact C-N 3.32Å; G1398-Y1401 PolarHBondContact O-N 3.13Å; G1398-A1402 WeakPolarHBondContact O-CB 3.47Å; G1398-A1402 PolarHBondContact O-N 3.37Å |
| 1399 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 176.8 | -70.1 | 166 | 0 | 0 | 0 | 111.4 | W1247 Y1248 Y1251 E1395 L1396 Y1401 A1402 V1403 V1494 | W1247-L1399 HydrophobicContact CB-CB 3.98Å; W1247-L1399 HydrophobicContact CB-CD1 4.02Å; Y1248-L1399 HydrophobicContact CD1-CD1 3.89Å; Y1248-L1399 HydrophobicContact CD1-CD2 4.15Å; Y1248-L1399 HydrophobicContact CD2-CD1 4Å; Y1248-L1399 HydrophobicContact CE1-CD1 3.77Å; Y1248-L1399 HydrophobicContact CE1-CD2 4.24Å; Y1248-L1399 HydrophobicContact CE2-CD1 3.89Å; Y1248-L1399 HydrophobicContact CG-CD1 4Å; Y1251-L1399 HydrophobicContact CD1-CD2 3.61Å; Y1251-L1399 HydrophobicContact CD2-CD2 4.4Å; Y1251-L1399 HydrophobicContact CE1-CD2 4.35Å; Y1251-L1399 HydrophobicContact CG-CD2 3.66Å; E1395-L1399 WeakPolarHBondContact O-CB 3.41Å; E1395-L1399 VanDerWaalsContact O-CG 3.26Å; E1395-L1399 WeakPolarHBondContact O-CG 3.28Å; E1395-L1399 PolarHBondContact O-N 3.01Å; L1396-L1399 HydrophobicContact CD2-CD1 4.3Å; L1396-L1399 PolarHBondContact O-N 2.88Å; L1399-Y1401 VanDerWaalsContact C-N 3.34Å; L1399-Y1401 PolarHBondContact O-N 2.91Å; L1399-A1402 PolarHBondContact O-N 2.62Å; L1399-V1403 VanDerWaalsContact O-CG2 3.3Å; L1399-V1403 WeakPolarHBondContact O-CG2 3.27Å; L1399-V1403 PolarHBondContact O-N 3.49Å; L1399-V1494 HydrophobicContact CD2-CG1 4.34Å; L1399-V1494 HydrophobicContact CD2-CG2 4.37Å |
| 1400 | A | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W1247 P1358 L1396 V1403 V1404 L1443 | W1247-A1400 HydrophobicContact CD2-CB 4.33Å; W1247-A1400 HydrophobicContact CE3-CB 3.73Å; W1247-A1400 HydrophobicContact CH2-CB 3.7Å; W1247-A1400 HydrophobicContact CZ2-CB 4.3Å; W1247-A1400 VanDerWaalsContact CZ3-CA 3.46Å; W1247-A1400 HydrophobicContact CZ3-CB 3.39Å; P1358-A1400 HydrophobicContact CG-CB 3.47Å; P1358-A1400 VanDerWaalsContact CG-CB 3.47Å; L1396-A1400 WeakPolarHBondContact O-CB 3.47Å; L1396-A1400 PolarHBondContact O-N 3.39Å; A1400-V1403 PolarHBondContact O-N 3.04Å; A1400-V1404 VanDerWaalsContact O-CB 3.25Å; A1400-V1404 WeakPolarHBondContact O-CB 3.43Å; A1400-V1404 WeakPolarHBondContact O-CG2 3.44Å; A1400-V1404 PolarHBondContact O-N 3.41Å; A1400-L1443 HydrophobicContact CB-CD1 4.36Å |
| 1401 | Y | 98.7 | Very high | 95.4 | Very high | 16 Ų | 16 | 12.9 Ų | 12.9 | 6% | 0.063 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 174.9 | 178.6 | -99.5 | 0 | 0 | 0 | 111.6 | V1397 G1398 L1399 V1403 V1404 S1405 S1440 L1443 K1444 A1495 E1497 L1498 | V1397-Y1401 WeakPolarHBondContact O-CB 3.38Å; V1397-Y1401 PolarHBondContact O-N 3.22Å; G1398-Y1401 PolarHBondContact O-N 3.13Å; L1399-Y1401 VanDerWaalsContact C-N 3.34Å; L1399-Y1401 PolarHBondContact O-N 2.91Å; Y1401-V1403 VanDerWaalsContact C-N 3.27Å; Y1401-V1403 PolarHBondContact O-N 2.84Å; Y1401-V1404 PolarHBondContact O-N 3.16Å; Y1401-S1405 WeakPolarHBondContact O-CB 3.47Å; Y1401-S1405 PolarHBondContact O-N 3.19Å; Y1401-S1405 PolarHBondContact O-OG 3.33Å; Y1401-S1440 VanDerWaalsContact CE2-OG 3.31Å; Y1401-S1440 WeakPolarHBondContact CE2-OG 3.26Å; Y1401-L1443 HydrophobicContact CD2-CB 3.96Å; Y1401-L1443 HydrophobicContact CD2-CD1 4.5Å; Y1401-K1444 HydrophobicContact CD2-CB 4.48Å; Y1401-K1444 HydrophobicContact CE2-CB 3.87Å; Y1401-K1444 HydrophobicContact CE2-CD 4.42Å; Y1401-K1444 HydrophobicContact CE2-CG 4.47Å; Y1401-A1495 HydrophobicContact CD1-CB 3.57Å; Y1401-A1495 HydrophobicContact CE1-CB 4.36Å; Y1401-A1495 HydrophobicContact CG-CB 4.4Å; Y1401-E1497 HydrophobicContact CE1-CB 4.12Å; Y1401-L1498 HydrophobicContact CD1-CD1 4.18Å; Y1401-L1498 HydrophobicContact CD1-CD2 3.97Å; Y1401-L1498 HydrophobicContact CD1-CG 3.84Å; Y1401-L1498 HydrophobicContact CD2-CD2 3.67Å; Y1401-L1498 HydrophobicContact CD2-CG 4.42Å; Y1401-L1498 HydrophobicContact CE1-CD2 4.2Å; Y1401-L1498 HydrophobicContact CE1-CG 4.2Å; Y1401-L1498 HydrophobicContact CE2-CD2 3.96Å; Y1401-L1498 HydrophobicContact CG-CD1 4.02Å; Y1401-L1498 HydrophobicContact CG-CD2 3.67Å; Y1401-L1498 HydrophobicContact CG-CG 3.92Å |
| 1402 | A | 97.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 16.7 Ų | 16.7 | 7% | 0.066 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.3 | -38.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1251 G1398 L1399 S1405 W1406 V1494 | Y1251-A1402 HydrophobicContact CD2-CB 3.87Å; Y1251-A1402 HydrophobicContact CE2-CB 3.8Å; G1398-A1402 WeakPolarHBondContact O-CB 3.47Å; G1398-A1402 PolarHBondContact O-N 3.37Å; L1399-A1402 PolarHBondContact O-N 2.62Å; A1402-S1405 PolarHBondContact O-OG 2.96Å; A1402-W1406 WeakPolarHBondContact O-CB 3.35Å; A1402-W1406 PolarHBondContact O-N 2.87Å; A1402-V1494 HydrophobicContact CB-CB 4.27Å; A1402-V1494 HydrophobicContact CB-CG2 4.31Å; A1402-V1494 WeakPolarHBondContact CB-O 3.3Å |
| 1403 | V | 98.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.4 | -53.8 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L1250 V1254 L1399 A1400 Y1401 S1405 W1406 L1407 | L1250-V1403 HydrophobicContact CB-CG1 4.14Å; L1250-V1403 HydrophobicContact CB-CG2 3.76Å; V1254-V1403 HydrophobicContact CG2-CG2 4.19Å; L1399-V1403 VanDerWaalsContact O-CG2 3.3Å; L1399-V1403 WeakPolarHBondContact O-CG2 3.27Å; L1399-V1403 PolarHBondContact O-N 3.49Å; A1400-V1403 PolarHBondContact O-N 3.04Å; Y1401-V1403 VanDerWaalsContact C-N 3.27Å; Y1401-V1403 PolarHBondContact O-N 2.84Å; V1403-S1405 PolarHBondContact O-N 3.09Å; V1403-W1406 PolarHBondContact O-N 3.28Å; V1403-L1407 HydrophobicContact CG1-CD1 3.93Å; V1403-L1407 HydrophobicContact CG1-CG 4.42Å; V1403-L1407 VanDerWaalsContact O-CG 3.26Å; V1403-L1407 WeakPolarHBondContact O-CG 3.29Å; V1403-L1407 PolarHBondContact O-N 2.89Å |
| 1404 | V | 97.5 | Very high | 90 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.4 | -35.8 | -174 | 172.7 | 0 | 0 | 0 | 0 | 112 | A1400 Y1401 L1407 A1408 W1436 W1439 L1443 | A1400-V1404 VanDerWaalsContact O-CB 3.25Å; A1400-V1404 WeakPolarHBondContact O-CB 3.43Å; A1400-V1404 WeakPolarHBondContact O-CG2 3.44Å; A1400-V1404 PolarHBondContact O-N 3.41Å; Y1401-V1404 PolarHBondContact O-N 3.16Å; V1404-L1407 PolarHBondContact O-N 3.39Å; V1404-A1408 WeakPolarHBondContact O-CB 3.46Å; V1404-A1408 PolarHBondContact O-N 2.75Å; V1404-W1436 HydrophobicContact CG1-CE3 4.24Å; V1404-W1436 WeakPolarHBondContact CG1-O 3.49Å; V1404-W1439 HydrophobicContact CG1-CB 3.82Å; V1404-W1439 HydrophobicContact CG1-CD2 4.12Å; V1404-W1439 HydrophobicContact CG1-CE3 4.36Å; V1404-W1439 HydrophobicContact CG1-CG 3.92Å; V1404-W1439 HydrophobicContact CG2-CD2 3.89Å; V1404-W1439 HydrophobicContact CG2-CE3 3.92Å; V1404-W1439 HydrophobicContact CG2-CG 4.45Å; V1404-W1439 HydrophobicContact CG2-CH2 4.34Å; V1404-W1439 HydrophobicContact CG2-CZ2 4.29Å; V1404-W1439 HydrophobicContact CG2-CZ3 4.17Å; V1404-L1443 HydrophobicContact CB-CD1 4.29Å; V1404-L1443 HydrophobicContact CG2-CD1 4.44Å |
| 1405 | S | 95.3 | Very high | 87.8 | Confident | 21 Ų | 21 | 33.2 Ų | 33.2 | 15% | 0.147 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.1 | -44.6 | 174.6 | 65.8 | 0 | 0 | 0 | 0 | 111.3 | Y1401 A1402 V1403 L1407 A1408 E1409 | Y1401-S1405 WeakPolarHBondContact O-CB 3.47Å; Y1401-S1405 PolarHBondContact O-N 3.19Å; Y1401-S1405 PolarHBondContact O-OG 3.33Å; A1402-S1405 PolarHBondContact O-OG 2.96Å; V1403-S1405 PolarHBondContact O-N 3.09Å; S1405-L1407 VanDerWaalsContact C-N 3.32Å; S1405-L1407 PolarHBondContact O-N 2.48Å; S1405-A1408 WeakPolarHBondContact O-CB 3.32Å; S1405-A1408 PolarHBondContact O-N 3.01Å; S1405-A1408 VanDerWaalsContact O-N 3.13Å; S1405-E1409 WeakPolarHBondContact O-CG 3.34Å; S1405-E1409 PolarHBondContact O-N 2.76Å |
| 1406 | W | 93.3 | Very high | 85.6 | Confident | 21 Ų | 21 | 39.5 Ų | 39.5 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -37.9 | 175.3 | 179.5 | 82.3 | 0 | 0 | 0 | 112.3 | V1254 E1257 L1277 A1402 V1403 E1409 S1410 Y1420 | V1254-W1406 HydrophobicContact CB-CD2 4.34Å; V1254-W1406 HydrophobicContact CB-CG 4.44Å; V1254-W1406 HydrophobicContact CG1-CB 3.85Å; V1254-W1406 HydrophobicContact CG1-CD2 3.89Å; V1254-W1406 HydrophobicContact CG1-CG 3.54Å; V1254-W1406 HydrophobicContact CG2-CB 4.32Å; V1254-W1406 HydrophobicContact CG2-CD2 3.89Å; V1254-W1406 HydrophobicContact CG2-CE3 3.69Å; V1254-W1406 HydrophobicContact CG2-CG 4.18Å; V1254-W1406 HydrophobicContact CG2-CZ3 4.29Å; E1257-W1406 HydrophobicContact CB-CH2 4.24Å; E1257-W1406 HydrophobicContact CB-CZ2 3.7Å; E1257-W1406 HydrophobicContact CG-CH2 4.1Å; E1257-W1406 HydrophobicContact CG-CZ2 4.06Å; L1277-W1406 HydrophobicContact CD1-CH2 4.08Å; L1277-W1406 HydrophobicContact CD2-CH2 4.36Å; A1402-W1406 WeakPolarHBondContact O-CB 3.35Å; A1402-W1406 PolarHBondContact O-N 2.87Å; V1403-W1406 PolarHBondContact O-N 3.28Å; W1406-E1409 PolarHBondContact O-N 3.23Å; W1406-S1410 WeakPolarHBondContact CZ2-OG 3.43Å; W1406-S1410 VanDerWaalsContact O-CB 3.22Å; W1406-S1410 WeakPolarHBondContact O-CB 3.18Å; W1406-S1410 PolarHBondContact O-N 3.42Å; W1406-S1410 PolarHBondContact O-OG 3.37Å; W1406-Y1420 HydrophobicContact CZ2-CE1 4.42Å |
| 1407 | L | 94.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.1 | -39.3 | 173 | -68.2 | 173.4 | 0 | 0 | 0 | 111.8 | L1318 V1403 V1404 S1405 E1409 S1410 H1411 Y1421 W1436 | L1318-L1407 HydrophobicContact CD1-CD1 3.49Å; L1318-L1407 VanDerWaalsContact CD1-CD1 3.49Å; V1403-L1407 HydrophobicContact CG1-CD1 3.93Å; V1403-L1407 HydrophobicContact CG1-CG 4.42Å; V1403-L1407 VanDerWaalsContact O-CG 3.26Å; V1403-L1407 WeakPolarHBondContact O-CG 3.29Å; V1403-L1407 PolarHBondContact O-N 2.89Å; V1404-L1407 PolarHBondContact O-N 3.39Å; S1405-L1407 VanDerWaalsContact C-N 3.32Å; S1405-L1407 PolarHBondContact O-N 2.48Å; L1407-E1409 VanDerWaalsContact C-N 3.32Å; L1407-E1409 PolarHBondContact O-N 3.19Å; L1407-S1410 PolarHBondContact O-N 3.49Å; L1407-H1411 WeakPolarHBondContact O-CB 3.35Å; L1407-H1411 PolarHBondContact O-N 3.26Å; L1407-Y1421 HydrophobicContact CD2-CD1 3.65Å; L1407-Y1421 HydrophobicContact CD2-CD2 3.71Å; L1407-Y1421 HydrophobicContact CD2-CE1 3.64Å; L1407-Y1421 HydrophobicContact CD2-CE2 3.72Å; L1407-Y1421 HydrophobicContact CD2-CG 3.66Å; L1407-W1436 HydrophobicContact CB-CB 4.44Å; L1407-W1436 HydrophobicContact CB-CD2 3.87Å; L1407-W1436 HydrophobicContact CB-CE3 4.32Å; L1407-W1436 HydrophobicContact CB-CG 3.9Å; L1407-W1436 HydrophobicContact CD1-CD2 4.18Å; L1407-W1436 HydrophobicContact CD1-CE3 4Å; L1407-W1436 HydrophobicContact CD1-CH2 4Å; L1407-W1436 HydrophobicContact CD1-CZ2 4.18Å; L1407-W1436 HydrophobicContact CD1-CZ3 3.89Å |
| 1408 | A | 91.8 | Very high | 81 | Confident | 14 Ų | 14 | 48 Ų | 48 | 12% | 0.116 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1404 S1405 N1412 W1436 K1437 | V1404-A1408 WeakPolarHBondContact O-CB 3.46Å; V1404-A1408 PolarHBondContact O-N 2.75Å; S1405-A1408 WeakPolarHBondContact O-CB 3.32Å; S1405-A1408 PolarHBondContact O-N 3.01Å; S1405-A1408 VanDerWaalsContact O-N 3.13Å; A1408-N1412 VanDerWaalsContact O-CB 3.3Å; A1408-N1412 WeakPolarHBondContact O-CB 3.15Å; A1408-N1412 PolarHBondContact O-N 3.03Å; A1408-N1412 PolarHBondContact O-ND2 3.13Å; A1408-W1436 HydrophobicContact CB-CB 3.68Å; A1408-K1437 HydrophobicContact CB-CB 4.47Å |
| 1409 | E | 87.6 | Confident | 79.3 | Confident | 130 Ų | 130 | 50.7 Ų | 50.7 | 61% | 0.607 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.7 | -49.8 | 175.8 | -69.9 | 177.1 | -175.8 | 0 | 0 | 112 | S1405 W1406 L1407 H1411 N1412 Q1413 | S1405-E1409 WeakPolarHBondContact O-CG 3.34Å; S1405-E1409 PolarHBondContact O-N 2.76Å; W1406-E1409 PolarHBondContact O-N 3.23Å; L1407-E1409 VanDerWaalsContact C-N 3.32Å; L1407-E1409 PolarHBondContact O-N 3.19Å; E1409-H1411 PolarHBondContact O-N 2.68Å; E1409-N1412 PolarHBondContact O-N 3.07Å; E1409-Q1413 PolarHBondContact O-N 3.24Å |
| 1410 | S | 85.1 | Confident | 78.3 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.028 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67 | -23.4 | -177.8 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | W1406 L1407 Y1421 | W1406-S1410 WeakPolarHBondContact CZ2-OG 3.43Å; W1406-S1410 VanDerWaalsContact O-CB 3.22Å; W1406-S1410 WeakPolarHBondContact O-CB 3.18Å; W1406-S1410 PolarHBondContact O-N 3.42Å; W1406-S1410 PolarHBondContact O-OG 3.37Å; L1407-S1410 PolarHBondContact O-N 3.49Å; S1410-Y1421 PolarHBondContact O-N 2.93Å |
| 1411 | H | 85.1 | Confident | 77.8 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 22% | 0.222 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -88.6 | -48.8 | 173.8 | -175 | 69.9 | 0 | 0 | 0 | 112.7 | L1407 E1409 Y1421 H1423 A1424 | L1407-H1411 WeakPolarHBondContact O-CB 3.35Å; L1407-H1411 PolarHBondContact O-N 3.26Å; E1409-H1411 PolarHBondContact O-N 2.68Å; H1411-Y1421 PolarHBondContact ND1-O 2.78Å; H1411-H1423 PolarHBondContact ND1-O 3.4Å; H1411-A1424 VanDerWaalsContact CE1-CA 3.43Å; H1411-A1424 WeakPolarHBondContact CE1-CA 3.13Å; H1411-A1424 WeakPolarHBondContact NE2-CA 3.44Å; H1411-A1424 WeakPolarHBondContact NE2-CB 3.32Å |
| 1412 | N | 68.7 | Low | 77.3 | Confident | 83 Ų | 83 | 55.3 Ų | 55.3 | 44% | 0.444 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -91.3 | -46.8 | -162.5 | -73.5 | -65.7 | 0 | 0 | 0 | 116 | A1408 E1409 | A1408-N1412 VanDerWaalsContact O-CB 3.3Å; A1408-N1412 WeakPolarHBondContact O-CB 3.15Å; A1408-N1412 PolarHBondContact O-N 3.03Å; A1408-N1412 PolarHBondContact O-ND2 3.13Å; E1409-N1412 PolarHBondContact O-N 3.07Å |
| 1413 | Q | 56 | Low | 77 | Confident | 181 Ų | 181 | 57.1 Ų | 57.1 | 85% | 0.846 | 33% | 0.333 | S | S | * | . | trans | -161.5 | 125.3 | -175.6 | -70.2 | -167.7 | -7 | 0 | 0 | 114.2 | E1409 | E1409-Q1413 PolarHBondContact O-N 3.24Š| ||
| 1414 | G | 53.2 | Low | 76.7 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 33% | 0.33 | 35% | 0.347 | S | S | . | . | trans | 179 | 145.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1416 Y1417 | G1414-N1416 PolarHBondContact O-N 3.33Å; G1414-Y1417 PolarHBondContact O-N 3.19Å | ||
| 1415 | P | 50.8 | Low | 76.5 | Confident | 139 Ų | 139 | 59.1 Ų | 59.1 | 90% | 0.903 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -7.3 | -176.8 | 20.8 | -31 | 0 | 0 | 0 | 115.6 | ||
| 1416 | N | 52.9 | Low | 76.6 | Confident | 132 Ų | 132 | 58.2 Ų | 58.2 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -5.3 | -178.9 | -66.6 | -22 | 0 | 0 | 0 | 115 | G1414 | G1414-N1416 PolarHBondContact O-N 3.33Š|
| 1417 | Y | 53.6 | Low | 76.7 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | trans | -140.1 | 19.9 | -165 | -60 | -73.4 | 0 | 0 | 0 | 115.8 | S1261 G1414 G1419 Y1420 | S1261-Y1417 VanDerWaalsContact CB-OH 3.23Å; S1261-Y1417 WeakPolarHBondContact CB-OH 3.45Å; S1261-Y1417 PolarHBondContact OG-OH 2.99Å; G1414-Y1417 PolarHBondContact O-N 3.19Å; Y1417-G1419 PolarHBondContact O-N 3.12Å; Y1417-Y1420 AromaticContact CD1-CD1 3.9Å; Y1417-Y1420 HydrophobicContact CD1-CD1 3.9Å; Y1417-Y1420 AromaticContact CD1-CD2 3.89Å; Y1417-Y1420 HydrophobicContact CD1-CD2 3.89Å; Y1417-Y1420 HydrophobicContact CD1-CE1 4.25Å; Y1417-Y1420 HydrophobicContact CD1-CE2 4.24Å; Y1417-Y1420 AromaticContact CD1-CG 3.69Å; Y1417-Y1420 HydrophobicContact CD1-CG 3.69Å; Y1417-Y1420 HydrophobicContact CE1-CD1 4.45Å; Y1417-Y1420 HydrophobicContact CE1-CE1 4.38Å; Y1417-Y1420 VanDerWaalsContact O-CB 3.25Å; Y1417-Y1420 WeakPolarHBondContact O-CB 3.34Å; Y1417-Y1420 PolarHBondContact O-N 3.4Å | ||
| 1418 | A | 46.8 | Very low | 76.7 | Confident | 103 Ų | 103 | 64.3 Ų | 64.3 | 85% | 0.851 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 114.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1420 | A1418-Y1420 VanDerWaalsContact C-N 3.34Š|
| 1419 | G | 61 | Low | 76.4 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 59% | 0.588 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 17.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1417 | Y1417-G1419 PolarHBondContact O-N 3.12Š|
| 1420 | Y | 77.6 | Confident | 76.5 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 17% | 0.173 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -64.4 | -44.3 | -177.8 | -163.8 | -107.9 | 0 | 0 | 0 | 112.6 | E1257 S1275 L1277 W1406 Y1417 A1418 | E1257-Y1420 WeakPolarHBondContact OE2-CE1 3.44Å; E1257-Y1420 PolarHBondContact OE2-OH 2.9Å; S1275-Y1420 WeakPolarHBondContact CB-OH 3.36Å; S1275-Y1420 PolarHBondContact OG-OH 3.11Å; L1277-Y1420 HydrophobicContact CD1-CD1 3.7Å; L1277-Y1420 HydrophobicContact CD1-CE1 3.56Å; W1406-Y1420 HydrophobicContact CZ2-CE1 4.42Å; Y1417-Y1420 AromaticContact CD1-CD1 3.9Å; Y1417-Y1420 HydrophobicContact CD1-CD1 3.9Å; Y1417-Y1420 AromaticContact CD1-CD2 3.89Å; Y1417-Y1420 HydrophobicContact CD1-CD2 3.89Å; Y1417-Y1420 HydrophobicContact CD1-CE1 4.25Å; Y1417-Y1420 HydrophobicContact CD1-CE2 4.24Å; Y1417-Y1420 AromaticContact CD1-CG 3.69Å; Y1417-Y1420 HydrophobicContact CD1-CG 3.69Å; Y1417-Y1420 HydrophobicContact CE1-CD1 4.45Å; Y1417-Y1420 HydrophobicContact CE1-CE1 4.38Å; Y1417-Y1420 VanDerWaalsContact O-CB 3.25Å; Y1417-Y1420 WeakPolarHBondContact O-CB 3.34Å; Y1417-Y1420 PolarHBondContact O-N 3.4Å; A1418-Y1420 VanDerWaalsContact C-N 3.34Å |
| 1421 | Y | 88.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -105.3 | 115.1 | 166.1 | -164.6 | -101.4 | 0 | 0 | 0 | 109.9 | L1277 H1311 M1314 Q1315 L1407 S1410 H1411 H1423 W1436 | L1277-Y1421 HydrophobicContact CD1-CD2 4.36Å; L1277-Y1421 HydrophobicContact CD2-CD2 4.46Å; H1311-Y1421 HydrophobicContact CB-CD2 4.11Å; H1311-Y1421 HydrophobicContact CB-CE2 3.75Å; H1311-Y1421 PolarHBondContact O-OH 3Å; M1314-Y1421 HydrophobicContact CE-CE2 4.17Å; M1314-Y1421 HydrophobicContact SD-CE2 4.29Å; Q1315-Y1421 PolarHBondContact N-OH 3.16Å; Q1315-Y1421 PolarHBondContact OE1-OH 3.28Å; L1407-Y1421 HydrophobicContact CD2-CD1 3.65Å; L1407-Y1421 HydrophobicContact CD2-CD2 3.71Å; L1407-Y1421 HydrophobicContact CD2-CE1 3.64Å; L1407-Y1421 HydrophobicContact CD2-CE2 3.72Å; L1407-Y1421 HydrophobicContact CD2-CG 3.66Å; S1410-Y1421 PolarHBondContact O-N 2.93Å; H1411-Y1421 PolarHBondContact ND1-O 2.78Å; Y1421-H1423 VanDerWaalsContact C-N 3.31Å; Y1421-H1423 HydrophobicContact CD1-CB 4.19Å; Y1421-H1423 HydrophobicContact CE1-CB 3.78Å; Y1421-H1423 AromaticContact CE1-CD2 3.68Å; Y1421-H1423 AromaticContact CZ-CD2 3.74Å; Y1421-H1423 PolarHBondContact O-N 2.88Å; Y1421-W1436 AromaticContact CE1-CZ2 3.86Å; Y1421-W1436 HydrophobicContact CE1-CZ2 3.86Å |
| 1422 | P | 88.3 | Confident | 76.9 | Confident | 70 Ų | 70 | 73.7 Ų | 73.7 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | trans | -78.4 | -8.1 | -164.2 | 27.8 | -34.1 | 0 | 0 | 0 | 115.1 | H1311 | H1311-P1422 WeakPolarHBondContact CE1-CG 3.43Å; H1311-P1422 WeakPolarHBondContact ND1-CG 3.46Å | ||
| 1423 | H | 92.1 | Very high | 78.1 | Confident | 46 Ų | 46 | 74.9 Ų | 74.9 | 21% | 0.213 | 45% | 0.453 | C | S | . | . | trans | -101.6 | 137.3 | -177.4 | -50.4 | -80.4 | 0 | 0 | 0 | 111 | H1311 Q1315 H1411 Y1421 W1436 | H1311-H1423 AromaticContact CE1-NE2 3.87Å; H1311-H1423 AromaticContact ND1-CD2 3.76Å; H1311-H1423 AromaticContact ND1-NE2 3.18Å; H1311-H1423 PolarHBondContact ND1-NE2 3.27Å; H1311-H1423 VanDerWaalsContact ND1-NE2 3.18Å; H1311-H1423 PolarHBondContact O-NE2 2.97Å; Q1315-H1423 WeakPolarHBondContact CB-NE2 3.27Å; Q1315-H1423 HydrophobicContact CG-CB 4.38Å; Q1315-H1423 VanDerWaalsContact OE1-CB 3.3Å; Q1315-H1423 PolarHBondContact OE1-CD2 2.91Å; H1411-H1423 PolarHBondContact ND1-O 3.4Å; Y1421-H1423 VanDerWaalsContact C-N 3.31Å; Y1421-H1423 HydrophobicContact CD1-CB 4.19Å; Y1421-H1423 HydrophobicContact CE1-CB 3.78Å; Y1421-H1423 AromaticContact CE1-CD2 3.68Å; Y1421-H1423 AromaticContact CZ-CD2 3.74Å; Y1421-H1423 PolarHBondContact O-N 2.88Å; H1423-W1436 PolarHBondContact O-NE1 3.45Å | ||
| 1424 | A | 90.6 | Very high | 79.9 | Confident | 35 Ų | 35 | 67 Ų | 67 | 29% | 0.289 | 42% | 0.417 | S | S | . | . | trans | -85 | -18.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | H1411 S1435 W1436 | H1411-A1424 VanDerWaalsContact CE1-CA 3.43Å; H1411-A1424 WeakPolarHBondContact CE1-CA 3.13Å; H1411-A1424 WeakPolarHBondContact NE2-CA 3.44Å; H1411-A1424 WeakPolarHBondContact NE2-CB 3.32Å; A1424-S1435 WeakPolarHBondContact O-CA 3.43Å; A1424-W1436 VanDerWaalsContact C-CD1 3.47Å; A1424-W1436 PolarHBondContact O-N 3.39Å | ||
| 1425 | G | 94.6 | Very high | 81.9 | Confident | 7 Ų | 7 | 67 Ų | 67 | 7% | 0.072 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.3 | -156.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1315 L1434 | Q1315-G1425 PolarHBondContact NE2-O 2.96Å; G1425-L1434 CarbonylContact C-O 3.57Å; G1425-L1434 WeakPolarHBondContact CA-O 3.47Å |
| 1426 | V | 96.5 | Very high | 84.1 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 158 | 175.2 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | L1318 I1322 L1434 W1436 W1439 | L1318-V1426 HydrophobicContact CB-CG1 4.13Å; I1322-V1426 HydrophobicContact CB-CB 4.42Å; I1322-V1426 HydrophobicContact CB-CG2 3.91Å; I1322-V1426 HydrophobicContact CD1-CG2 4.12Å; I1322-V1426 HydrophobicContact CG1-CG2 3.72Å; I1322-V1426 HydrophobicContact CG2-CB 3.84Å; I1322-V1426 HydrophobicContact CG2-CG2 3.77Å; V1426-L1434 HydrophobicContact CG2-CB 4.17Å; V1426-L1434 HydrophobicContact CG2-CD2 4.31Å; V1426-L1434 PolarHBondContact N-O 3.46Å; V1426-L1434 PolarHBondContact O-N 2.76Å; V1426-W1436 HydrophobicContact CG1-CH2 3.49Å; V1426-W1436 VanDerWaalsContact CG1-CH2 3.49Å; V1426-W1436 HydrophobicContact CG1-CZ2 4.38Å; V1426-W1436 HydrophobicContact CG1-CZ3 3.81Å; V1426-W1439 HydrophobicContact CG1-CZ3 4.14Å; V1426-W1439 HydrophobicContact CG2-CE3 4.12Å; V1426-W1439 HydrophobicContact CG2-CZ3 4.13Å |
| 1427 | Q | 96 | Very high | 86 | Confident | 120 Ų | 120 | 60.3 Ų | 60.3 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 127.3 | 175 | -65.9 | -173.7 | -7.9 | 0 | 0 | 110.9 | Q1319 I1322 | Q1319-Q1427 PolarHBondContact NE2-O 2.79Å; I1322-Q1427 WeakPolarHBondContact CG2-O 3.41Å |
| 1428 | L | 93.1 | Very high | 88 | Confident | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | trans | -69.1 | 160.8 | 172.2 | -59.4 | -178.9 | 0 | 0 | 0 | 110.4 | I1322 L1353 T1430 G1431 K1432 L1434 | I1322-L1428 HydrophobicContact CD1-CD2 4.23Å; I1322-L1428 HydrophobicContact CG1-CD2 3.6Å; L1353-L1428 HydrophobicContact CD2-CD2 3.77Å; L1428-T1430 PolarHBondContact O-N 2.89Å; L1428-G1431 WeakPolarHBondContact O-CA 3.31Å; L1428-G1431 PolarHBondContact O-N 2.94Å; L1428-K1432 WeakPolarHBondContact CB-O 3.36Å; L1428-K1432 HydrophobicContact CD1-CB 4.28Å; L1428-K1432 HydrophobicContact CD1-CD 4.49Å; L1428-K1432 WeakPolarHBondContact CG-O 3.23Å; L1428-K1432 PolarHBondContact N-O 3.47Å; L1428-L1434 HydrophobicContact CD2-CB 4.21Å; L1428-L1434 HydrophobicContact CD2-CD2 4.26Å; L1428-L1434 HydrophobicContact CG-CB 4.32Å | ||
| 1429 | A | 87.2 | Confident | 90.5 | Very high | 86 Ų | 86 | 56.1 Ų | 56.1 | 71% | 0.711 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -20.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1431 | A1429-G1431 VanDerWaalsContact C-N 3.26Å; A1429-G1431 PolarHBondContact O-N 3.31Å |
| 1430 | T | 88.5 | Confident | 92.2 | Very high | 118 Ų | 118 | 53.9 Ų | 53.9 | 72% | 0.724 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -5.7 | 173.7 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | L1428 K1432 | L1428-T1430 PolarHBondContact O-N 2.89Å; T1430-K1432 VanDerWaalsContact C-N 3.26Å; T1430-K1432 PolarHBondContact O-N 3.41Å; T1430-K1432 PolarHBondContact OG1-N 3.13Å |
| 1431 | G | 87.2 | Confident | 93.1 | Very high | 54 Ų | 54 | 55.2 Ų | 55.2 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 81.9 | -5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1428 A1429 | L1428-G1431 WeakPolarHBondContact O-CA 3.31Å; L1428-G1431 PolarHBondContact O-N 2.94Å; A1429-G1431 VanDerWaalsContact C-N 3.26Å; A1429-G1431 PolarHBondContact O-N 3.31Å |
| 1432 | K | 91.7 | Very high | 93.6 | Very high | 134 Ų | 134 | 57.3 Ų | 57.3 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | trans | -72 | 136.5 | 176.1 | -175.8 | -175.3 | 175.7 | -171.1 | 0 | 110.5 | L1428 T1430 | L1428-K1432 WeakPolarHBondContact CB-O 3.36Å; L1428-K1432 HydrophobicContact CD1-CB 4.28Å; L1428-K1432 HydrophobicContact CD1-CD 4.49Å; L1428-K1432 WeakPolarHBondContact CG-O 3.23Å; L1428-K1432 PolarHBondContact N-O 3.47Å; T1430-K1432 VanDerWaalsContact C-N 3.26Å; T1430-K1432 PolarHBondContact O-N 3.41Å; T1430-K1432 PolarHBondContact OG1-N 3.13Å | ||
| 1433 | E | 92.9 | Very high | 94 | Very high | 108 Ų | 108 | 54 Ų | 54 | 51% | 0.505 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 136.1 | 172.6 | -167.3 | 174.9 | 163.5 | 0 | 0 | 111.2 | ||
| 1434 | L | 95.6 | Very high | 94.3 | Very high | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 108.4 | 169.6 | 177.7 | 69.1 | 0 | 0 | 0 | 107.6 | I1322 G1425 V1426 L1428 E1438 W1439 M1442 | I1322-L1434 HydrophobicContact CD1-CD2 3.86Å; G1425-L1434 CarbonylContact C-O 3.57Å; G1425-L1434 WeakPolarHBondContact CA-O 3.47Å; V1426-L1434 HydrophobicContact CG2-CB 4.17Å; V1426-L1434 HydrophobicContact CG2-CD2 4.31Å; V1426-L1434 PolarHBondContact N-O 3.46Å; V1426-L1434 PolarHBondContact O-N 2.76Å; L1428-L1434 HydrophobicContact CD2-CB 4.21Å; L1428-L1434 HydrophobicContact CD2-CD2 4.26Å; L1428-L1434 HydrophobicContact CG-CB 4.32Å; L1434-E1438 HydrophobicContact CD1-CB 3.64Å; L1434-W1439 HydrophobicContact CD2-CB 3.92Å; L1434-W1439 HydrophobicContact CD2-CD2 4.44Å; L1434-W1439 HydrophobicContact CD2-CG 4.11Å; L1434-W1439 HydrophobicContact CG-CB 4.16Å; L1434-M1442 HydrophobicContact CD1-SD 3.88Å; L1434-M1442 HydrophobicContact CD2-SD 4.33Å |
| 1435 | S | 95.4 | Very high | 94.7 | Very high | 31 Ų | 31 | 60.2 Ų | 60.2 | 22% | 0.217 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 155.4 | 179.6 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | A1424 K1437 E1438 W1439 | A1424-S1435 WeakPolarHBondContact O-CA 3.43Å; S1435-K1437 PolarHBondContact O-N 3.12Å; S1435-E1438 WeakPolarHBondContact CB-OE2 3.32Å; S1435-E1438 PolarHBondContact N-OE2 3.36Å; S1435-E1438 PolarHBondContact O-N 2.89Å; S1435-E1438 VanDerWaalsContact O-N 3.11Å; S1435-E1438 WeakPolarHBondContact OG-CB 3.25Å; S1435-E1438 VanDerWaalsContact OG-CD 3.25Å; S1435-E1438 WeakPolarHBondContact OG-CG 3.22Å; S1435-E1438 PolarHBondContact OG-N 2.86Å; S1435-E1438 PolarHBondContact OG-OE2 3.29Å; S1435-W1439 PolarHBondContact O-N 3.26Å |
| 1436 | W | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.7 | -37 | 176.3 | -59.8 | 124.9 | 0 | 0 | 0 | 113.1 | Q1315 L1318 V1404 L1407 A1408 Y1421 H1423 A1424 V1426 W1439 S1440 | Q1315-W1436 VanDerWaalsContact OE1-CZ2 3.29Å; L1318-W1436 HydrophobicContact CB-CH2 4.11Å; L1318-W1436 HydrophobicContact CB-CZ3 4.47Å; L1318-W1436 HydrophobicContact CD1-CH2 3.56Å; L1318-W1436 HydrophobicContact CD1-CZ2 4.42Å; L1318-W1436 HydrophobicContact CD1-CZ3 3.95Å; L1318-W1436 HydrophobicContact CG-CH2 4.38Å; V1404-W1436 HydrophobicContact CG1-CE3 4.24Å; V1404-W1436 WeakPolarHBondContact CG1-O 3.49Å; L1407-W1436 HydrophobicContact CB-CB 4.44Å; L1407-W1436 HydrophobicContact CB-CD2 3.87Å; L1407-W1436 HydrophobicContact CB-CE3 4.32Å; L1407-W1436 HydrophobicContact CB-CG 3.9Å; L1407-W1436 HydrophobicContact CD1-CD2 4.18Å; L1407-W1436 HydrophobicContact CD1-CE3 4Å; L1407-W1436 HydrophobicContact CD1-CH2 4Å; L1407-W1436 HydrophobicContact CD1-CZ2 4.18Å; L1407-W1436 HydrophobicContact CD1-CZ3 3.89Å; A1408-W1436 HydrophobicContact CB-CB 3.68Å; Y1421-W1436 AromaticContact CE1-CZ2 3.86Å; Y1421-W1436 HydrophobicContact CE1-CZ2 3.86Å; H1423-W1436 PolarHBondContact O-NE1 3.45Å; A1424-W1436 VanDerWaalsContact C-CD1 3.47Å; A1424-W1436 PolarHBondContact O-N 3.39Å; V1426-W1436 HydrophobicContact CG1-CH2 3.49Å; V1426-W1436 VanDerWaalsContact CG1-CH2 3.49Å; V1426-W1436 HydrophobicContact CG1-CZ2 4.38Å; V1426-W1436 HydrophobicContact CG1-CZ3 3.81Å; W1436-W1439 HydrophobicContact CE3-CE3 4.05Å; W1436-W1439 HydrophobicContact CE3-CZ3 4.48Å; W1436-W1439 AromaticContact CZ3-CE3 3.78Å; W1436-W1439 HydrophobicContact CZ3-CE3 3.78Å; W1436-W1439 AromaticContact CZ3-CZ3 3.76Å; W1436-W1439 HydrophobicContact CZ3-CZ3 3.76Å; W1436-W1439 PolarHBondContact O-N 3.02Å; W1436-S1440 VanDerWaalsContact O-CB 3.28Å; W1436-S1440 WeakPolarHBondContact O-CB 3.47Å; W1436-S1440 PolarHBondContact O-N 3.18Å |
| 1437 | K | 93.9 | Very high | 94.9 | Very high | 131 Ų | 131 | 60.6 Ų | 60.6 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.1 | -41 | 178.4 | -173.3 | 172.3 | -178.6 | 174.8 | 0 | 111.6 | A1408 S1435 N1441 | A1408-K1437 HydrophobicContact CB-CB 4.47Å; S1435-K1437 PolarHBondContact O-N 3.12Å; K1437-N1441 WeakPolarHBondContact O-CB 3.11Å; K1437-N1441 PolarHBondContact O-N 3.16Å; K1437-N1441 PolarHBondContact O-ND2 3.47Å |
| 1438 | E | 96.2 | Very high | 95 | Very high | 91 Ų | 91 | 56.2 Ų | 56.2 | 43% | 0.425 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 174.7 | -73.1 | 165 | 134.5 | 0 | 0 | 111.1 | L1434 S1435 N1441 M1442 | L1434-E1438 HydrophobicContact CD1-CB 3.64Å; S1435-E1438 WeakPolarHBondContact CB-OE2 3.32Å; S1435-E1438 PolarHBondContact N-OE2 3.36Å; S1435-E1438 PolarHBondContact O-N 2.89Å; S1435-E1438 VanDerWaalsContact O-N 3.11Å; S1435-E1438 WeakPolarHBondContact OG-CB 3.25Å; S1435-E1438 VanDerWaalsContact OG-CD 3.25Å; S1435-E1438 WeakPolarHBondContact OG-CG 3.22Å; S1435-E1438 PolarHBondContact OG-N 2.86Å; S1435-E1438 PolarHBondContact OG-OE2 3.29Å; E1438-N1441 PolarHBondContact O-N 3.18Å; E1438-M1442 WeakPolarHBondContact O-CG 3.32Å; E1438-M1442 PolarHBondContact O-N 3.4Å |
| 1439 | W | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 178.8 | -170.7 | 4.3 | 0 | 0 | 0 | 112.3 | W1247 L1318 I1322 I1351 G1356 V1404 V1426 L1434 S1435 W1436 N1441 M1442 L1443 | W1247-W1439 HydrophobicContact CH2-CH2 4.3Å; W1247-W1439 HydrophobicContact CH2-CZ2 4.23Å; L1318-W1439 HydrophobicContact CD2-CH2 4.14Å; L1318-W1439 HydrophobicContact CD2-CZ3 4.27Å; I1322-W1439 HydrophobicContact CD1-CH2 4.44Å; I1322-W1439 HydrophobicContact CD1-CZ2 4.44Å; I1322-W1439 HydrophobicContact CD1-CZ3 4.5Å; I1351-W1439 HydrophobicContact CD1-CH2 4.32Å; I1351-W1439 HydrophobicContact CD1-CZ2 3.64Å; I1351-W1439 HydrophobicContact CG1-CH2 4.13Å; I1351-W1439 HydrophobicContact CG1-CZ2 3.63Å; I1351-W1439 HydrophobicContact CG2-CZ2 4.2Å; G1356-W1439 PolarHBondContact O-NE1 2.92Å; V1404-W1439 HydrophobicContact CG1-CB 3.82Å; V1404-W1439 HydrophobicContact CG1-CD2 4.12Å; V1404-W1439 HydrophobicContact CG1-CE3 4.36Å; V1404-W1439 HydrophobicContact CG1-CG 3.92Å; V1404-W1439 HydrophobicContact CG2-CD2 3.89Å; V1404-W1439 HydrophobicContact CG2-CE3 3.92Å; V1404-W1439 HydrophobicContact CG2-CG 4.45Å; V1404-W1439 HydrophobicContact CG2-CH2 4.34Å; V1404-W1439 HydrophobicContact CG2-CZ2 4.29Å; V1404-W1439 HydrophobicContact CG2-CZ3 4.17Å; V1426-W1439 HydrophobicContact CG1-CZ3 4.14Å; V1426-W1439 HydrophobicContact CG2-CE3 4.12Å; V1426-W1439 HydrophobicContact CG2-CZ3 4.13Å; L1434-W1439 HydrophobicContact CD2-CB 3.92Å; L1434-W1439 HydrophobicContact CD2-CD2 4.44Å; L1434-W1439 HydrophobicContact CD2-CG 4.11Å; L1434-W1439 HydrophobicContact CG-CB 4.16Å; S1435-W1439 PolarHBondContact O-N 3.26Å; W1436-W1439 HydrophobicContact CE3-CE3 4.05Å; W1436-W1439 HydrophobicContact CE3-CZ3 4.48Å; W1436-W1439 AromaticContact CZ3-CE3 3.78Å; W1436-W1439 HydrophobicContact CZ3-CE3 3.78Å; W1436-W1439 AromaticContact CZ3-CZ3 3.76Å; W1436-W1439 HydrophobicContact CZ3-CZ3 3.76Å; W1436-W1439 PolarHBondContact O-N 3.02Å; W1439-N1441 VanDerWaalsContact C-N 3.28Å; W1439-N1441 PolarHBondContact O-N 3.29Å; W1439-M1442 WeakPolarHBondContact O-CB 3.27Å; W1439-M1442 PolarHBondContact O-N 2.88Å; W1439-M1442 VanDerWaalsContact O-N 3.15Å; W1439-L1443 PolarHBondContact O-N 3.41Å; W1439-L1443 VanDerWaalsContact O-N 3.07Å |
| 1440 | S | 97 | Very high | 95.5 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.6 | -41.8 | 174.4 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | Y1401 W1436 L1443 K1444 | Y1401-S1440 VanDerWaalsContact CE2-OG 3.31Å; Y1401-S1440 WeakPolarHBondContact CE2-OG 3.26Å; W1436-S1440 VanDerWaalsContact O-CB 3.28Å; W1436-S1440 WeakPolarHBondContact O-CB 3.47Å; W1436-S1440 PolarHBondContact O-N 3.18Å; S1440-L1443 PolarHBondContact O-N 3.49Å; S1440-K1444 WeakPolarHBondContact O-CB 3.49Å; S1440-K1444 PolarHBondContact O-N 2.92Å |
| 1441 | N | 97.7 | Very high | 96 | Very high | 71 Ų | 71 | 52.6 Ų | 52.6 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 176.8 | -73.6 | -23.3 | 0 | 0 | 0 | 112.5 | K1437 E1438 W1439 K1444 N1445 | K1437-N1441 WeakPolarHBondContact O-CB 3.11Å; K1437-N1441 PolarHBondContact O-N 3.16Å; K1437-N1441 PolarHBondContact O-ND2 3.47Å; E1438-N1441 PolarHBondContact O-N 3.18Å; W1439-N1441 VanDerWaalsContact C-N 3.28Å; W1439-N1441 PolarHBondContact O-N 3.29Å; N1441-K1444 PolarHBondContact O-N 2.93Å; N1441-N1445 VanDerWaalsContact O-CB 3.25Å; N1441-N1445 WeakPolarHBondContact O-CB 3.49Å; N1441-N1445 PolarHBondContact O-N 3.28Å; N1441-N1445 PolarHBondContact O-ND2 3.15Å |
| 1442 | M | 98 | Very high | 96.4 | Very high | 44 Ų | 44 | 51.3 Ų | 51.3 | 22% | 0.217 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.1 | -51.4 | 174.6 | -69.4 | 165.9 | 62.6 | 0 | 0 | 110.7 | L1353 T1355 L1434 E1438 W1439 K1444 N1445 S1446 | L1353-M1442 WeakPolarHBondContact O-CE 3.2Å; T1355-M1442 CarbonylContact O-C 3.1Å; L1434-M1442 HydrophobicContact CD1-SD 3.88Å; L1434-M1442 HydrophobicContact CD2-SD 4.33Å; E1438-M1442 WeakPolarHBondContact O-CG 3.32Å; E1438-M1442 PolarHBondContact O-N 3.4Å; W1439-M1442 WeakPolarHBondContact O-CB 3.27Å; W1439-M1442 PolarHBondContact O-N 2.88Å; W1439-M1442 VanDerWaalsContact O-N 3.15Å; M1442-K1444 PolarHBondContact O-N 3.42Å; M1442-N1445 PolarHBondContact O-N 3.02Å; M1442-S1446 WeakPolarHBondContact O-CB 3.49Å; M1442-S1446 PolarHBondContact O-N 3.43Å; M1442-S1446 VanDerWaalsContact O-N 3.14Å; M1442-S1446 PolarHBondContact O-OG 2.89Å; M1442-S1446 VanDerWaalsContact O-OG 3.11Å |
| 1443 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.7 | -51.1 | 177.1 | -73.2 | 167.6 | 0 | 0 | 0 | 111.4 | T1355 G1356 F1357 V1397 A1400 Y1401 V1404 W1439 S1440 S1446 F1447 | T1355-L1443 PolarHBondContact O-N 2.96Å; G1356-L1443 VanDerWaalsContact C-CD2 3.47Å; G1356-L1443 WeakPolarHBondContact O-CD2 3.44Å; F1357-L1443 HydrophobicContact CD1-CD2 3.81Å; F1357-L1443 HydrophobicContact CE1-CD2 4.44Å; V1397-L1443 HydrophobicContact CG1-CD2 4.21Å; A1400-L1443 HydrophobicContact CB-CD1 4.36Å; Y1401-L1443 HydrophobicContact CD2-CB 3.96Å; Y1401-L1443 HydrophobicContact CD2-CD1 4.5Å; V1404-L1443 HydrophobicContact CB-CD1 4.29Å; V1404-L1443 HydrophobicContact CG2-CD1 4.44Å; W1439-L1443 PolarHBondContact O-N 3.41Å; W1439-L1443 VanDerWaalsContact O-N 3.07Å; S1440-L1443 PolarHBondContact O-N 3.49Å; L1443-S1446 PolarHBondContact O-N 3.2Å; L1443-F1447 PolarHBondContact O-N 3.16Å; L1443-F1447 VanDerWaalsContact O-N 3.11Å |
| 1444 | K | 98 | Very high | 96.7 | Very high | 90 Ų | 90 | 42.2 Ų | 42.2 | 39% | 0.391 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.4 | -46.9 | -177.2 | -172.8 | 170.7 | -175.3 | 165.1 | 0 | 113.2 | Y1401 S1440 N1441 M1442 S1446 E1497 L1498 | Y1401-K1444 HydrophobicContact CD2-CB 4.48Å; Y1401-K1444 HydrophobicContact CE2-CB 3.87Å; Y1401-K1444 HydrophobicContact CE2-CD 4.42Å; Y1401-K1444 HydrophobicContact CE2-CG 4.47Å; S1440-K1444 WeakPolarHBondContact O-CB 3.49Å; S1440-K1444 PolarHBondContact O-N 2.92Å; N1441-K1444 PolarHBondContact O-N 2.93Å; M1442-K1444 PolarHBondContact O-N 3.42Å; K1444-S1446 VanDerWaalsContact C-N 3.28Å; K1444-S1446 PolarHBondContact O-N 3.47Å; K1444-E1497 WeakPolarHBondContact CE-O 3.34Å; K1444-L1498 HydrophobicContact CB-CD2 4.1Å; K1444-L1498 HydrophobicContact CG-CD2 4.27Å |
| 1445 | N | 97.8 | Very high | 96.4 | Very high | 122 Ų | 122 | 46.9 Ų | 46.9 | 65% | 0.652 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -72.4 | -24.9 | -174.9 | -66.5 | -20.1 | 0 | 0 | 0 | 112.5 | N1441 M1442 | N1441-N1445 VanDerWaalsContact O-CB 3.25Å; N1441-N1445 WeakPolarHBondContact O-CB 3.49Å; N1441-N1445 PolarHBondContact O-N 3.28Å; N1441-N1445 PolarHBondContact O-ND2 3.15Å; M1442-N1445 PolarHBondContact O-N 3.02Å |
| 1446 | S | 98 | Very high | 96.2 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -91.1 | -25.1 | -179.3 | -63.5 | 0 | 0 | 0 | 0 | 113.5 | T1355 M1442 L1443 K1444 S1449 H1450 | T1355-S1446 WeakPolarHBondContact CA-OG 3.32Å; M1442-S1446 WeakPolarHBondContact O-CB 3.49Å; M1442-S1446 PolarHBondContact O-N 3.43Å; M1442-S1446 VanDerWaalsContact O-N 3.14Å; M1442-S1446 PolarHBondContact O-OG 2.89Å; M1442-S1446 VanDerWaalsContact O-OG 3.11Å; L1443-S1446 PolarHBondContact O-N 3.2Å; K1444-S1446 VanDerWaalsContact C-N 3.28Å; K1444-S1446 PolarHBondContact O-N 3.47Å; S1446-S1449 PolarHBondContact O-N 3.23Å; S1446-S1449 PolarHBondContact O-OG 2.86Å; S1446-H1450 PolarHBondContact O-N 2.85Å; S1446-H1450 PolarHBondContact O-ND1 2.9Å |
| 1447 | F | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.6 | -62.2 | -170.6 | -176.9 | -96.6 | 0 | 0 | 0 | 114.1 | V1394 V1397 L1443 S1449 H1450 F1451 Y1469 T1491 L1498 F1499 | V1394-F1447 HydrophobicContact CG2-CE2 4.01Å; V1394-F1447 HydrophobicContact CG2-CZ 4.14Å; V1397-F1447 HydrophobicContact CG1-CD2 3.78Å; V1397-F1447 HydrophobicContact CG1-CE2 4.31Å; L1443-F1447 PolarHBondContact O-N 3.16Å; L1443-F1447 VanDerWaalsContact O-N 3.11Å; F1447-S1449 VanDerWaalsContact C-N 3.31Å; F1447-S1449 PolarHBondContact O-N 3.49Å; F1447-H1450 PolarHBondContact O-N 3.42Å; F1447-F1451 AromaticContact CD2-CD2 3.66Å; F1447-F1451 HydrophobicContact CD2-CD2 3.66Å; F1447-F1451 HydrophobicContact CD2-CE2 4.12Å; F1447-F1451 HydrophobicContact CD2-CG 4.35Å; F1447-F1451 HydrophobicContact CE2-CB 4.36Å; F1447-F1451 AromaticContact CE2-CD2 3.76Å; F1447-F1451 HydrophobicContact CE2-CD2 3.76Å; F1447-F1451 HydrophobicContact CE2-CE2 4.24Å; F1447-F1451 HydrophobicContact CE2-CG 4.05Å; F1447-F1451 HydrophobicContact CG-CD2 4.35Å; F1447-F1451 HydrophobicContact CZ-CB 4.31Å; F1447-F1451 HydrophobicContact CZ-CG 4.44Å; F1447-F1451 PolarHBondContact O-N 3.4Å; F1447-Y1469 HydrophobicContact CE1-CD1 4.05Å; F1447-Y1469 AromaticContact CE1-CE1 3.89Å; F1447-Y1469 HydrophobicContact CE1-CE1 3.89Å; F1447-Y1469 HydrophobicContact CZ-CD1 4.31Å; F1447-T1491 HydrophobicContact CE2-CG2 3.77Å; F1447-T1491 HydrophobicContact CZ-CG2 3.81Å; F1447-L1498 HydrophobicContact CB-CB 4.28Å; F1447-L1498 HydrophobicContact CB-CD2 4.11Å; F1447-L1498 HydrophobicContact CD1-CB 3.65Å; F1447-L1498 WeakPolarHBondContact CD1-O 3.45Å; F1447-L1498 HydrophobicContact CD2-CB 4.42Å; F1447-L1498 HydrophobicContact CD2-CD1 3.9Å; F1447-L1498 HydrophobicContact CE1-CB 4.04Å; F1447-L1498 HydrophobicContact CE2-CD1 4.23Å; F1447-L1498 HydrophobicContact CG-CB 3.85Å; F1447-L1498 HydrophobicContact CG-CD1 4.09Å; F1447-L1498 HydrophobicContact CG-CD2 4.43Å; F1447-L1498 HydrophobicContact CG-CG 4.37Å; F1447-F1499 HydrophobicContact CE1-CD1 4.05Å; F1447-F1499 HydrophobicContact CE1-CD2 4.21Å; F1447-F1499 AromaticContact CE1-CE1 3.75Å; F1447-F1499 HydrophobicContact CE1-CE1 3.75Å; F1447-F1499 AromaticContact CE1-CE2 3.93Å; F1447-F1499 HydrophobicContact CE1-CE2 3.93Å; F1447-F1499 HydrophobicContact CE1-CG 4.26Å; F1447-F1499 AromaticContact CE1-CZ 3.68Å; F1447-F1499 HydrophobicContact CE1-CZ 3.68Å; F1447-F1499 AromaticContact CZ-CE1 3.89Å; F1447-F1499 HydrophobicContact CZ-CE1 3.89Å; F1447-F1499 AromaticContact CZ-CE2 3.93Å; F1447-F1499 HydrophobicContact CZ-CE2 3.93Å; F1447-F1499 AromaticContact CZ-CZ 3.49Å; F1447-F1499 HydrophobicContact CZ-CZ 3.49Å; F1447-F1499 VanDerWaalsContact CZ-CZ 3.49Å |
| 1448 | E | 97 | Very high | 95.5 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.5 | -39.6 | -175.3 | -86.9 | -78.4 | 171.3 | 0 | 0 | 112.4 | H1450 W1452 Y1469 L1498 F1499 T1500 R1503 | E1448-H1450 VanDerWaalsContact C-N 3.27Å; E1448-H1450 PolarHBondContact O-N 3.43Å; E1448-W1452 WeakPolarHBondContact O-CB 3.49Å; E1448-W1452 PolarHBondContact O-N 3.49Å; E1448-W1452 WeakPolarHBondContact OE2-CB 3.27Å; E1448-Y1469 PolarHBondContact OE1-OH 2.92Å; E1448-L1498 WeakPolarHBondContact CG-O 3.26Å; E1448-F1499 WeakPolarHBondContact OE1-CA 3.3Å; E1448-T1500 PolarHBondContact OE1-N 3.27Å; E1448-T1500 PolarHBondContact OE1-OG1 2.9Å; E1448-R1503 VanDerWaalsContact OE2-CD 3.3Å; E1448-R1503 WeakPolarHBondContact OE2-CD 3.42Å; E1448-R1503 IonicContact OE2-CZ 3.72Å; E1448-R1503 IonicContact OE2-NE 3.94Å; E1448-R1503 IonicContact OE2-NH1 2.73Å; E1448-R1503 PolarHBondContact OE2-NH1 2.9Å |
| 1449 | S | 95.6 | Very high | 95.1 | Very high | 89 Ų | 89 | 53.3 Ų | 53.3 | 62% | 0.622 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -68.4 | -25.9 | -177.8 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | S1446 F1447 | S1446-S1449 PolarHBondContact O-N 3.23Å; S1446-S1449 PolarHBondContact O-OG 2.86Å; F1447-S1449 VanDerWaalsContact C-N 3.31Å; F1447-S1449 PolarHBondContact O-N 3.49Å |
| 1450 | H | 96.9 | Very high | 94.3 | Very high | 68 Ų | 68 | 58 Ų | 58 | 32% | 0.315 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -99 | -39.3 | -177.8 | -67.4 | 71.7 | 0 | 0 | 0 | 112.7 | F1357 S1446 F1447 E1448 R1470 V1473 | F1357-H1450 HydrophobicContact CE2-CB 3.9Å; F1357-H1450 AromaticContact CE2-CG 3.99Å; F1357-H1450 HydrophobicContact CZ-CB 4.34Å; S1446-H1450 PolarHBondContact O-N 2.85Å; S1446-H1450 PolarHBondContact O-ND1 2.9Å; F1447-H1450 PolarHBondContact O-N 3.42Å; E1448-H1450 VanDerWaalsContact C-N 3.27Å; E1448-H1450 PolarHBondContact O-N 3.43Å; H1450-R1470 WeakPolarHBondContact O-CD 3.26Å; H1450-R1470 PolarHBondContact O-NE 3.14Å; H1450-V1473 HydrophobicContact CB-CG1 4.41Å; H1450-V1473 HydrophobicContact CB-CG2 4.13Å |
| 1451 | F | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -92.3 | -30.7 | -174.1 | -76.1 | -85.6 | 0 | 0 | 0 | 114.2 | F1357 S1392 V1394 V1397 F1447 I1453 Y1469 R1470 V1473 | F1357-F1451 HydrophobicContact CD2-CE2 4.14Å; F1357-F1451 HydrophobicContact CE1-CE2 4.42Å; F1357-F1451 HydrophobicContact CE2-CD2 4.27Å; F1357-F1451 AromaticContact CE2-CE2 3.68Å; F1357-F1451 HydrophobicContact CE2-CE2 3.68Å; F1357-F1451 HydrophobicContact CZ-CD2 4.2Å; F1357-F1451 AromaticContact CZ-CE2 3.84Å; F1357-F1451 HydrophobicContact CZ-CE2 3.84Å; S1392-F1451 WeakPolarHBondContact O-CZ 3.38Å; V1394-F1451 HydrophobicContact CB-CD1 3.88Å; V1394-F1451 HydrophobicContact CB-CE1 3.54Å; V1394-F1451 HydrophobicContact CB-CZ 4.3Å; V1394-F1451 HydrophobicContact CG2-CD1 3.71Å; V1394-F1451 HydrophobicContact CG2-CE1 3.83Å; V1394-F1451 HydrophobicContact CG2-CG 4.32Å; V1397-F1451 HydrophobicContact CB-CE2 4.38Å; V1397-F1451 HydrophobicContact CB-CZ 4.49Å; V1397-F1451 HydrophobicContact CG1-CE2 4.35Å; V1397-F1451 HydrophobicContact CG2-CE2 3.95Å; V1397-F1451 HydrophobicContact CG2-CZ 3.87Å; F1447-F1451 AromaticContact CD2-CD2 3.66Å; F1447-F1451 HydrophobicContact CD2-CD2 3.66Å; F1447-F1451 HydrophobicContact CD2-CE2 4.12Å; F1447-F1451 HydrophobicContact CD2-CG 4.35Å; F1447-F1451 HydrophobicContact CE2-CB 4.36Å; F1447-F1451 AromaticContact CE2-CD2 3.76Å; F1447-F1451 HydrophobicContact CE2-CD2 3.76Å; F1447-F1451 HydrophobicContact CE2-CE2 4.24Å; F1447-F1451 HydrophobicContact CE2-CG 4.05Å; F1447-F1451 HydrophobicContact CG-CD2 4.35Å; F1447-F1451 HydrophobicContact CZ-CB 4.31Å; F1447-F1451 HydrophobicContact CZ-CG 4.44Å; F1447-F1451 PolarHBondContact O-N 3.4Å; F1451-I1453 PolarHBondContact O-N 3.06Å; F1451-Y1469 HydrophobicContact CB-CD1 4.04Å; F1451-Y1469 CarbonylContact O-C 3.48Å; F1451-Y1469 WeakPolarHBondContact O-CA 3.16Å; F1451-R1470 HydrophobicContact CD1-CB 3.96Å; F1451-R1470 WeakPolarHBondContact CD1-O 3.17Å; F1451-R1470 PolarHBondContact O-N 3.3Å; F1451-V1473 HydrophobicContact CD1-CG2 3.91Å; F1451-V1473 HydrophobicContact CD2-CG2 4.18Å; F1451-V1473 HydrophobicContact CE1-CG2 3.71Å; F1451-V1473 HydrophobicContact CE2-CG2 3.99Å; F1451-V1473 HydrophobicContact CG-CG2 4.14Å; F1451-V1473 HydrophobicContact CZ-CB 4.31Å; F1451-V1473 HydrophobicContact CZ-CG2 3.75Å |
| 1452 | W | 97.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 60.8 Ų | 60.8 | 10% | 0.102 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 127.8 | -178.3 | 178.4 | -115.4 | 0 | 0 | 0 | 111.5 | E1448 P1454 G1467 Y1469 R1503 N1506 A1507 | E1448-W1452 WeakPolarHBondContact O-CB 3.49Å; E1448-W1452 PolarHBondContact O-N 3.49Å; E1448-W1452 WeakPolarHBondContact OE2-CB 3.27Å; W1452-P1454 WeakPolarHBondContact O-CD 3.38Å; W1452-G1467 WeakPolarHBondContact CH2-O 3.43Å; W1452-G1467 VanDerWaalsContact CZ3-C 3.47Å; W1452-G1467 VanDerWaalsContact CZ3-O 3.31Å; W1452-G1467 WeakPolarHBondContact CZ3-O 3.48Å; W1452-Y1469 HydrophobicContact CB-CD1 4.42Å; W1452-Y1469 HydrophobicContact CB-CE1 4.07Å; W1452-Y1469 HydrophobicContact CE3-CD1 4.23Å; W1452-Y1469 AromaticContact CE3-CD2 3.98Å; W1452-Y1469 HydrophobicContact CE3-CD2 3.98Å; W1452-Y1469 AromaticContact CE3-CE1 3.89Å; W1452-Y1469 HydrophobicContact CE3-CE1 3.89Å; W1452-Y1469 AromaticContact CE3-CE2 3.59Å; W1452-Y1469 HydrophobicContact CE3-CE2 3.59Å; W1452-Y1469 HydrophobicContact CE3-CG 4.27Å; W1452-Y1469 AromaticContact CE3-CZ 3.54Å; W1452-Y1469 HydrophobicContact CZ3-CD2 4.13Å; W1452-Y1469 AromaticContact CZ3-CE2 3.7Å; W1452-Y1469 HydrophobicContact CZ3-CE2 3.7Å; W1452-R1503 HydrophobicContact CD2-CB 4.13Å; W1452-R1503 HydrophobicContact CD2-CG 4.2Å; W1452-R1503 HydrophobicContact CE3-CB 4.01Å; W1452-R1503 HydrophobicContact CH2-CB 3.75Å; W1452-R1503 HydrophobicContact CH2-CG 4.16Å; W1452-R1503 HydrophobicContact CZ2-CB 3.89Å; W1452-R1503 HydrophobicContact CZ2-CG 3.76Å; W1452-R1503 HydrophobicContact CZ3-CB 3.82Å; W1452-R1503 WeakPolarHBondContact CZ3-O 3.34Å; W1452-N1506 HydrophobicContact CH2-CB 4.29Å; W1452-A1507 HydrophobicContact CZ3-CB 4.37Å |
| 1453 | I | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 108 | 168.8 | -61.4 | 169.2 | 0 | 0 | 0 | 108.3 | F1451 T1457 L1462 N1465 G1467 I1468 R1470 N1482 | F1451-I1453 PolarHBondContact O-N 3.06Å; I1453-T1457 HydrophobicContact CG2-CG2 3.9Å; I1453-L1462 HydrophobicContact CD1-CD1 4.47Å; I1453-L1462 HydrophobicContact CD1-CD2 4.06Å; I1453-L1462 HydrophobicContact CG1-CD1 4.42Å; I1453-L1462 HydrophobicContact CG2-CB 4.48Å; I1453-L1462 HydrophobicContact CG2-CD1 3.88Å; I1453-N1465 WeakPolarHBondContact CG2-O 3.16Å; I1453-G1467 VanDerWaalsContact O-CA 3.29Å; I1453-G1467 WeakPolarHBondContact O-CA 3.45Å; I1453-G1467 PolarHBondContact O-N 3.31Å; I1453-I1468 HydrophobicContact CD1-CG1 4.41Å; I1453-I1468 PolarHBondContact N-O 3.47Å; I1453-R1470 HydrophobicContact CD1-CG 3.6Å; I1453-R1470 HydrophobicContact CG1-CG 3.83Å; I1453-N1482 HydrophobicContact CD1-CB 4.4Å |
| 1454 | P | 93.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 71.9 Ų | 71.9 | 34% | 0.338 | 38% | 0.375 | S | S | . | . | trans | -64.8 | 143.8 | 178.7 | -19.4 | 31.1 | 0 | 0 | 0 | 112.5 | W1452 S1456 T1457 | W1452-P1454 WeakPolarHBondContact O-CD 3.38Å; P1454-S1456 PolarHBondContact O-N 2.94Å; P1454-T1457 WeakPolarHBondContact O-CB 3.17Å; P1454-T1457 VanDerWaalsContact O-CG2 3.24Å; P1454-T1457 WeakPolarHBondContact O-CG2 3.32Å; P1454-T1457 PolarHBondContact O-N 3.13Å | ||
| 1455 | E | 90.5 | Very high | 89.9 | Confident | 114 Ų | 114 | 68.4 Ų | 68.4 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -33 | 170.9 | -65.6 | -175.9 | 172.4 | 0 | 0 | 113.1 | T1457 N1506 | E1455-T1457 PolarHBondContact O-N 2.92Å; E1455-N1506 PolarHBondContact OE1-ND2 3.24Å; E1455-N1506 PolarHBondContact OE1-OD1 3.03Å |
| 1456 | S | 90 | Very high | 89.6 | Confident | 100 Ų | 100 | 65.5 Ų | 65.5 | 70% | 0.699 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -3.3 | 178.5 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | P1454 K1458 | P1454-S1456 PolarHBondContact O-N 2.94Å; S1456-K1458 PolarHBondContact O-N 3.41Å |
| 1457 | T | 89.5 | Confident | 89.4 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | trans | -59.8 | 131.5 | -179 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | I1453 P1454 E1455 D1459 L1462 K1466 | I1453-T1457 HydrophobicContact CG2-CG2 3.9Å; P1454-T1457 WeakPolarHBondContact O-CB 3.17Å; P1454-T1457 VanDerWaalsContact O-CG2 3.24Å; P1454-T1457 WeakPolarHBondContact O-CG2 3.32Å; P1454-T1457 PolarHBondContact O-N 3.13Å; E1455-T1457 PolarHBondContact O-N 2.92Å; T1457-D1459 PolarHBondContact OG1-N 3.31Å; T1457-L1462 HydrophobicContact CG2-CB 4.05Å; T1457-L1462 HydrophobicContact CG2-CD1 4.33Å; T1457-K1466 HydrophobicContact CG2-CD 3.8Å; T1457-K1466 HydrophobicContact CG2-CG 3.86Å; T1457-K1466 PolarHBondContact O-NZ 3.31Å | ||
| 1458 | K | 86.3 | Confident | 89.3 | Confident | 200 Ų | 200 | 64.8 Ų | 64.8 | 87% | 0.87 | 34% | 0.337 | S | S | * | . | trans | -99.7 | 6.5 | 173.9 | -62.9 | -173.8 | 179.7 | -178.5 | 0 | 112.3 | S1456 P1460 | S1456-K1458 PolarHBondContact O-N 3.41Å; K1458-P1460 VanDerWaalsContact O-CD 3.31Å; K1458-P1460 WeakPolarHBondContact O-CD 3.4Å | ||
| 1459 | D | 86 | Confident | 89.3 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 32% | 0.316 | 33% | 0.331 | S | S | . | . | trans | -62.7 | 115.6 | 176.2 | -173.7 | -14.2 | 0 | 0 | 0 | 109.3 | T1457 N1461 L1462 | T1457-D1459 PolarHBondContact OG1-N 3.31Å; D1459-N1461 PolarHBondContact O-N 3.15Å; D1459-N1461 WeakPolarHBondContact OD1-CB 3.42Å; D1459-N1461 PolarHBondContact OD1-N 3.44Å; D1459-N1461 PolarHBondContact OD1-ND2 2.86Å; D1459-N1461 VanDerWaalsContact OD1-ND2 3.11Å; D1459-L1462 HydrophobicContact CB-CB 4.28Å; D1459-L1462 HydrophobicContact CB-CD1 4.01Å; D1459-L1462 HydrophobicContact CB-CG 4.11Å; D1459-L1462 PolarHBondContact O-N 3.29Å | ||
| 1460 | P | 80.6 | Confident | 89.4 | Confident | 98 Ų | 98 | 62 Ų | 62 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -62.5 | -21.5 | -179.5 | 26.4 | -34.6 | 0 | 0 | 0 | 112.6 | K1458 L1462 | K1458-P1460 VanDerWaalsContact O-CD 3.31Å; K1458-P1460 WeakPolarHBondContact O-CD 3.4Å; P1460-L1462 VanDerWaalsContact C-N 3.25Å; P1460-L1462 PolarHBondContact O-N 3.08Å |
| 1461 | N | 78.2 | Confident | 89.4 | Confident | 132 Ų | 132 | 59 Ų | 59 | 71% | 0.706 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -77.6 | -10.1 | 177.4 | -56.5 | -54.2 | 0 | 0 | 0 | 113.2 | D1459 | D1459-N1461 PolarHBondContact O-N 3.15Å; D1459-N1461 WeakPolarHBondContact OD1-CB 3.42Å; D1459-N1461 PolarHBondContact OD1-N 3.44Å; D1459-N1461 PolarHBondContact OD1-ND2 2.86Å; D1459-N1461 VanDerWaalsContact OD1-ND2 3.11Å |
| 1462 | L | 82.4 | Confident | 89.3 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -113.5 | 35.3 | -178 | -60.4 | 178.3 | 0 | 0 | 0 | 111.6 | I1453 T1457 D1459 P1460 Y1464 K1466 N1482 | I1453-L1462 HydrophobicContact CD1-CD1 4.47Å; I1453-L1462 HydrophobicContact CD1-CD2 4.06Å; I1453-L1462 HydrophobicContact CG1-CD1 4.42Å; I1453-L1462 HydrophobicContact CG2-CB 4.48Å; I1453-L1462 HydrophobicContact CG2-CD1 3.88Å; T1457-L1462 HydrophobicContact CG2-CB 4.05Å; T1457-L1462 HydrophobicContact CG2-CD1 4.33Å; D1459-L1462 HydrophobicContact CB-CB 4.28Å; D1459-L1462 HydrophobicContact CB-CD1 4.01Å; D1459-L1462 HydrophobicContact CB-CG 4.11Å; D1459-L1462 PolarHBondContact O-N 3.29Å; P1460-L1462 VanDerWaalsContact C-N 3.25Å; P1460-L1462 PolarHBondContact O-N 3.08Å; L1462-Y1464 PolarHBondContact O-N 3.11Å; L1462-K1466 WeakPolarHBondContact O-CE 3.44Å; L1462-K1466 WeakPolarHBondContact O-CG 3.44Å; L1462-N1482 HydrophobicContact CD2-CB 3.64Å; L1462-N1482 VanDerWaalsContact CD2-ND2 3.3Å; L1462-N1482 WeakPolarHBondContact CD2-ND2 3.5Å |
| 1463 | L | 71.5 | Confident | 89.3 | Confident | 108 Ų | 108 | 59.3 Ų | 59.3 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -62.3 | -40.8 | -170 | -141.7 | 87 | 0 | 0 | 0 | 113.6 | ||
| 1464 | Y | 77.3 | Confident | 89.3 | Confident | 169 Ų | 169 | 62.1 Ų | 62.1 | 66% | 0.663 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -98.2 | -29.1 | -168.9 | -63.9 | -78.9 | 0 | 0 | 0 | 114.9 | L1462 R1514 | L1462-Y1464 PolarHBondContact O-N 3.11Å; Y1464-R1514 PolarHBondContact O-NH1 3.26Å |
| 1465 | N | 87.3 | Confident | 89.2 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | trans | -115.6 | 78.1 | -170.1 | -78.5 | -18.5 | 0 | 0 | 0 | 109.8 | I1453 I1468 N1482 L1484 | I1453-N1465 WeakPolarHBondContact CG2-O 3.16Å; N1465-I1468 HydrophobicContact CB-CD1 3.56Å; N1465-I1468 HydrophobicContact CB-CG1 4.35Å; N1465-N1482 VanDerWaalsContact CB-O 3.24Å; N1465-N1482 WeakPolarHBondContact CB-O 3.24Å; N1465-N1482 PolarHBondContact ND2-O 3.21Å; N1465-L1484 PolarHBondContact ND2-N 3.45Å | ||
| 1466 | K | 91.9 | Very high | 89.3 | Confident | 62 Ų | 62 | 58.4 Ų | 58.4 | 27% | 0.27 | 32% | 0.32 | S | S | . | . | trans | -120.2 | 153.9 | 178 | -49.7 | -177.1 | -179.3 | -169.8 | 0 | 110.6 | T1457 L1462 I1468 I1510 | T1457-K1466 HydrophobicContact CG2-CD 3.8Å; T1457-K1466 HydrophobicContact CG2-CG 3.86Å; T1457-K1466 PolarHBondContact O-NZ 3.31Å; L1462-K1466 WeakPolarHBondContact O-CE 3.44Å; L1462-K1466 WeakPolarHBondContact O-CG 3.44Å; K1466-I1468 VanDerWaalsContact C-N 3.25Å; K1466-I1510 WeakPolarHBondContact O-CD1 3.1Å | ||
| 1467 | G | 94.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 72.4 | 20.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | W1452 I1453 N1506 I1510 | W1452-G1467 WeakPolarHBondContact CH2-O 3.43Å; W1452-G1467 VanDerWaalsContact CZ3-C 3.47Å; W1452-G1467 VanDerWaalsContact CZ3-O 3.31Å; W1452-G1467 WeakPolarHBondContact CZ3-O 3.48Å; I1453-G1467 VanDerWaalsContact O-CA 3.29Å; I1453-G1467 WeakPolarHBondContact O-CA 3.45Å; I1453-G1467 PolarHBondContact O-N 3.31Å; G1467-N1506 PolarHBondContact O-ND2 2.83Å; G1467-I1510 WeakPolarHBondContact O-CD1 3.32Å |
| 1468 | I | 95.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 171.3 | -175 | 67.6 | 162.3 | 0 | 0 | 0 | 111.3 | I1453 N1465 K1466 L1484 I1510 | I1453-I1468 HydrophobicContact CD1-CG1 4.41Å; I1453-I1468 PolarHBondContact N-O 3.47Å; N1465-I1468 HydrophobicContact CB-CD1 3.56Å; N1465-I1468 HydrophobicContact CB-CG1 4.35Å; K1466-I1468 VanDerWaalsContact C-N 3.25Å; I1468-L1484 HydrophobicContact CB-CD1 4.25Å; I1468-L1484 HydrophobicContact CD1-CB 3.8Å; I1468-L1484 HydrophobicContact CD1-CD1 4.05Å; I1468-L1484 HydrophobicContact CD1-CG 4.46Å; I1468-L1484 HydrophobicContact CG2-CD1 4.09Å; I1468-I1510 HydrophobicContact CG2-CB 4.17Å; I1468-I1510 HydrophobicContact CG2-CD1 3.72Å; I1468-I1510 HydrophobicContact CG2-CG2 3.7Å |
| 1469 | Y | 97.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 137.8 | 166.9 | -67.7 | -88.5 | 0 | 0 | 0 | 110.6 | F1447 E1448 F1451 W1452 F1488 F1499 R1503 A1507 | F1447-Y1469 HydrophobicContact CE1-CD1 4.05Å; F1447-Y1469 AromaticContact CE1-CE1 3.89Å; F1447-Y1469 HydrophobicContact CE1-CE1 3.89Å; F1447-Y1469 HydrophobicContact CZ-CD1 4.31Å; E1448-Y1469 PolarHBondContact OE1-OH 2.92Å; F1451-Y1469 HydrophobicContact CB-CD1 4.04Å; F1451-Y1469 CarbonylContact O-C 3.48Å; F1451-Y1469 WeakPolarHBondContact O-CA 3.16Å; W1452-Y1469 HydrophobicContact CB-CD1 4.42Å; W1452-Y1469 HydrophobicContact CB-CE1 4.07Å; W1452-Y1469 HydrophobicContact CE3-CD1 4.23Å; W1452-Y1469 AromaticContact CE3-CD2 3.98Å; W1452-Y1469 HydrophobicContact CE3-CD2 3.98Å; W1452-Y1469 AromaticContact CE3-CE1 3.89Å; W1452-Y1469 HydrophobicContact CE3-CE1 3.89Å; W1452-Y1469 AromaticContact CE3-CE2 3.59Å; W1452-Y1469 HydrophobicContact CE3-CE2 3.59Å; W1452-Y1469 HydrophobicContact CE3-CG 4.27Å; W1452-Y1469 AromaticContact CE3-CZ 3.54Å; W1452-Y1469 HydrophobicContact CZ3-CD2 4.13Å; W1452-Y1469 AromaticContact CZ3-CE2 3.7Å; W1452-Y1469 HydrophobicContact CZ3-CE2 3.7Å; Y1469-F1488 HydrophobicContact CD2-CD2 4.12Å; Y1469-F1499 HydrophobicContact CD1-CD1 4.39Å; Y1469-F1499 AromaticContact CD1-CE1 3.96Å; Y1469-F1499 HydrophobicContact CD1-CE1 3.96Å; Y1469-F1499 HydrophobicContact CD2-CD1 4.26Å; Y1469-F1499 AromaticContact CD2-CE1 3.87Å; Y1469-F1499 HydrophobicContact CD2-CE1 3.87Å; Y1469-F1499 AromaticContact CE1-CD1 3.75Å; Y1469-F1499 HydrophobicContact CE1-CD1 3.75Å; Y1469-F1499 AromaticContact CE1-CE1 3.79Å; Y1469-F1499 HydrophobicContact CE1-CE1 3.79Å; Y1469-F1499 AromaticContact CE2-CD1 3.62Å; Y1469-F1499 HydrophobicContact CE2-CD1 3.62Å; Y1469-F1499 AromaticContact CE2-CE1 3.71Å; Y1469-F1499 HydrophobicContact CE2-CE1 3.71Å; Y1469-F1499 HydrophobicContact CG-CE1 4Å; Y1469-F1499 AromaticContact CZ-CD1 3.33Å; Y1469-F1499 AromaticContact CZ-CE1 3.68Å; Y1469-F1499 WeakPolarHBondContact OH-CD1 3.49Å; Y1469-R1503 WeakPolarHBondContact OH-CB 3.32Å; Y1469-A1507 HydrophobicContact CD2-CB 3.65Å; Y1469-A1507 HydrophobicContact CE2-CB 3.87Å |
| 1470 | R | 96.5 | Very high | 89.4 | Confident | 59 Ų | 59 | 52 Ų | 52 | 22% | 0.223 | 29% | 0.293 | C | S | . | . | trans | -57.6 | 149.2 | 172.9 | -70.9 | -179.7 | -158 | -106.8 | -0.6 | 111.1 | H1450 F1451 I1453 D1481 N1482 | H1450-R1470 WeakPolarHBondContact O-CD 3.26Å; H1450-R1470 PolarHBondContact O-NE 3.14Å; F1451-R1470 HydrophobicContact CD1-CB 3.96Å; F1451-R1470 WeakPolarHBondContact CD1-O 3.17Å; F1451-R1470 PolarHBondContact O-N 3.3Å; I1453-R1470 HydrophobicContact CD1-CG 3.6Å; I1453-R1470 HydrophobicContact CG1-CG 3.83Å; R1470-D1481 CarbonylContact C-O 3.56Å; R1470-D1481 WeakPolarHBondContact CA-O 3.23Å; R1470-D1481 VanDerWaalsContact CB-O 3.23Å; R1470-D1481 WeakPolarHBondContact CB-O 3.45Å; R1470-N1482 PolarHBondContact NH1-OD1 2.96Å | ||
| 1471 | D | 96.8 | Very high | 90 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -74.1 | -38.9 | 172.5 | -179.7 | 51.3 | 0 | 0 | 0 | 111.8 | R1389 V1394 D1481 R1485 N1487 | R1389-D1471 IonicContact CZ-OD1 3.59Å; R1389-D1471 IonicContact CZ-OD2 2.99Å; R1389-D1471 IonicContact NE-OD1 3.09Å; R1389-D1471 PolarHBondContact NE-OD1 3.47Å; R1389-D1471 IonicContact NE-OD2 2.71Å; R1389-D1471 PolarHBondContact NE-OD2 3.1Å; R1389-D1471 PolarHBondContact NH2-O 3.49Å; R1389-D1471 IonicContact NH2-OD1 3.31Å; R1389-D1471 PolarHBondContact NH2-OD1 3.27Å; R1389-D1471 IonicContact NH2-OD2 3.49Å; V1394-D1471 WeakPolarHBondContact CB-O 3.23Å; V1394-D1471 WeakPolarHBondContact CG1-O 3.21Å; V1394-D1471 PolarHBondContact N-O 2.85Å; D1471-D1481 PolarHBondContact N-O 2.86Å; D1471-R1485 HydrophobicContact CB-CB 4.4Å; D1471-R1485 HydrophobicContact CB-CG 4.35Å; D1471-R1485 WeakPolarHBondContact OD2-CD 3.36Å; D1471-R1485 IonicContact OD2-NE 3.46Å; D1471-N1487 PolarHBondContact OD1-ND2 3.06Å |
| 1472 | S | 96.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 169.2 | 175.7 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | S1392 D1481 | S1392-S1472 CarbonylContact O-C 3.5Å; S1392-S1472 WeakPolarHBondContact O-CA 3.45Å; S1392-S1472 WeakPolarHBondContact O-CB 3.5Å; S1472-D1481 WeakPolarHBondContact CB-OD1 3.16Å; S1472-D1481 WeakPolarHBondContact O-CB 3.22Å; S1472-D1481 PolarHBondContact OG-OD1 2.98Å |
| 1473 | V | 96.2 | Very high | 91.4 | Very high | 32 Ų | 32 | 42.6 Ų | 42.6 | 19% | 0.194 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 120.6 | 175 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | S1392 H1450 F1451 | S1392-V1473 PolarHBondContact N-O 3.39Å; S1392-V1473 PolarHBondContact O-N 3.07Å; S1392-V1473 PolarHBondContact OG-O 2.85Å; H1450-V1473 HydrophobicContact CB-CG1 4.41Å; H1450-V1473 HydrophobicContact CB-CG2 4.13Å; F1451-V1473 HydrophobicContact CD1-CG2 3.91Å; F1451-V1473 HydrophobicContact CD2-CG2 4.18Å; F1451-V1473 HydrophobicContact CE1-CG2 3.71Å; F1451-V1473 HydrophobicContact CE2-CG2 3.99Å; F1451-V1473 HydrophobicContact CG-CG2 4.14Å; F1451-V1473 HydrophobicContact CZ-CB 4.31Å; F1451-V1473 HydrophobicContact CZ-CG2 3.75Å |
| 1474 | G | 94.6 | Very high | 92.5 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 62% | 0.619 | 21% | 0.21 | S | C | * | . | S | Bend | trans | 82 | 31.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1481 | G1474-D1481 PolarHBondContact N-OD2 3.14Š|
| 1475 | S | 93.7 | Very high | 93.5 | Very high | 12 Ų | 12 | 29.7 Ų | 29.7 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | trans | -75.2 | 153.9 | 171.4 | 68.1 | 0 | 0 | 0 | 0 | 111.8 | D1390 G1477 G1478 T1480 D1481 | D1390-S1475 WeakPolarHBondContact OD1-CA 3.48Å; D1390-S1475 WeakPolarHBondContact OD1-CB 2.9Å; S1475-G1477 PolarHBondContact O-N 2.89Å; S1475-G1478 PolarHBondContact O-N 3.41Å; S1475-T1480 PolarHBondContact OG-OG1 3.13Å; S1475-T1480 VanDerWaalsContact OG-OG1 3.08Å; S1475-D1481 WeakPolarHBondContact CB-OD1 3.31Å; S1475-D1481 PolarHBondContact N-OD1 3.09Å; S1475-D1481 PolarHBondContact N-OD2 3.35Å; S1475-D1481 VanDerWaalsContact OG-CG 3.3Å; S1475-D1481 PolarHBondContact OG-OD1 2.72Å | ||
| 1476 | S | 92.6 | Very high | 94 | Very high | 76 Ų | 76 | 28.9 Ų | 28.9 | 53% | 0.531 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.6 | 176.8 | 70.8 | 0 | 0 | 0 | 0 | 112.7 | A1363 D1390 G1478 | A1363-S1476 WeakPolarHBondContact CB-OG 3.36Å; D1390-S1476 PolarHBondContact OD1-N 2.84Å; D1390-S1476 PolarHBondContact OD1-OG 3.3Å; D1390-S1476 VanDerWaalsContact OD2-CB 3.31Å; D1390-S1476 WeakPolarHBondContact OD2-CB 3.34Å; D1390-S1476 PolarHBondContact OD2-OG 2.67Å; S1476-G1478 VanDerWaalsContact C-N 3.32Å |
| 1477 | G | 84.8 | Confident | 94.3 | Very high | 31 Ų | 31 | 26 Ų | 26 | 32% | 0.32 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -16.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1475 Y1479 T1480 | S1475-G1477 PolarHBondContact O-N 2.89Å; G1477-Y1479 WeakPolarHBondContact O-CD1 3.47Å; G1477-Y1479 PolarHBondContact O-N 3.11Å; G1477-T1480 WeakPolarHBondContact CA-OG1 3.34Å |
| 1478 | G | 85.9 | Confident | 94.5 | Very high | 38 Ų | 38 | 26.1 Ų | 26.1 | 39% | 0.392 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 62.5 | -69.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1475 S1476 T1480 D1481 | S1475-G1478 PolarHBondContact O-N 3.41Å; S1476-G1478 VanDerWaalsContact C-N 3.32Å; G1478-T1480 VanDerWaalsContact C-N 3.25Å; G1478-T1480 PolarHBondContact O-N 2.94Å; G1478-D1481 WeakPolarHBondContact O-CB 3.45Å; G1478-D1481 PolarHBondContact O-N 2.68Å |
| 1479 | Y | 89.9 | Confident | 94.7 | Very high | 154 Ų | 154 | 26.1 Ų | 26.1 | 60% | 0.604 | 16% | 0.164 | S | C | * | . | G | 310 helix | trans | -66.8 | -28.7 | 176.8 | 84.8 | -89.4 | 0 | 0 | 0 | 112.2 | G1477 D1481 N1482 | G1477-Y1479 WeakPolarHBondContact O-CD1 3.47Å; G1477-Y1479 PolarHBondContact O-N 3.11Å; Y1479-D1481 PolarHBondContact O-N 3.3Å; Y1479-N1482 PolarHBondContact O-N 3.32Å |
| 1480 | T | 92.1 | Very high | 94.7 | Very high | 31 Ų | 31 | 26.1 Ų | 26.1 | 19% | 0.19 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -61.9 | -30.2 | 179.6 | 48.3 | 0 | 0 | 0 | 0 | 112.8 | S1475 G1477 G1478 N1482 Q1483 | S1475-T1480 PolarHBondContact OG-OG1 3.13Å; S1475-T1480 VanDerWaalsContact OG-OG1 3.08Å; G1477-T1480 WeakPolarHBondContact CA-OG1 3.34Å; G1478-T1480 VanDerWaalsContact C-N 3.25Å; G1478-T1480 PolarHBondContact O-N 2.94Å; T1480-N1482 PolarHBondContact O-N 2.84Å; T1480-Q1483 PolarHBondContact O-N 2.81Å |
| 1481 | D | 94.2 | Very high | 94.8 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -56.8 | -30.4 | 173.6 | -79.1 | -5.6 | 0 | 0 | 0 | 112 | R1470 D1471 S1472 G1474 S1475 G1478 Y1479 | R1470-D1481 CarbonylContact C-O 3.56Å; R1470-D1481 WeakPolarHBondContact CA-O 3.23Å; R1470-D1481 VanDerWaalsContact CB-O 3.23Å; R1470-D1481 WeakPolarHBondContact CB-O 3.45Å; D1471-D1481 PolarHBondContact N-O 2.86Å; S1472-D1481 WeakPolarHBondContact CB-OD1 3.16Å; S1472-D1481 WeakPolarHBondContact O-CB 3.22Å; S1472-D1481 PolarHBondContact OG-OD1 2.98Å; G1474-D1481 PolarHBondContact N-OD2 3.14Å; S1475-D1481 WeakPolarHBondContact CB-OD1 3.31Å; S1475-D1481 PolarHBondContact N-OD1 3.09Å; S1475-D1481 PolarHBondContact N-OD2 3.35Å; S1475-D1481 VanDerWaalsContact OG-CG 3.3Å; S1475-D1481 PolarHBondContact OG-OD1 2.72Å; G1478-D1481 WeakPolarHBondContact O-CB 3.45Å; G1478-D1481 PolarHBondContact O-N 2.68Å; Y1479-D1481 PolarHBondContact O-N 3.3Å |
| 1482 | N | 93.9 | Very high | 94.9 | Very high | 22 Ų | 22 | 23 Ų | 23 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -97.9 | 5.7 | -171.7 | -52.8 | -37.6 | 0 | 0 | 0 | 113 | I1453 L1462 N1465 R1470 Y1479 T1480 | I1453-N1482 HydrophobicContact CD1-CB 4.4Å; L1462-N1482 HydrophobicContact CD2-CB 3.64Å; L1462-N1482 VanDerWaalsContact CD2-ND2 3.3Å; L1462-N1482 WeakPolarHBondContact CD2-ND2 3.5Å; N1465-N1482 VanDerWaalsContact CB-O 3.24Å; N1465-N1482 WeakPolarHBondContact CB-O 3.24Å; N1465-N1482 PolarHBondContact ND2-O 3.21Å; R1470-N1482 PolarHBondContact NH1-OD1 2.96Å; Y1479-N1482 PolarHBondContact O-N 3.32Å; T1480-N1482 PolarHBondContact O-N 2.84Å |
| 1483 | Q | 94.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -73.6 | 139.2 | 176.9 | -66.2 | -170.5 | -61.8 | 0 | 0 | 110.5 | T1480 R1485 L1524 D1528 | T1480-Q1483 PolarHBondContact O-N 2.81Å; Q1483-R1485 HydrophobicContact CB-CG 4.36Å; Q1483-R1485 PolarHBondContact O-N 2.73Å; Q1483-L1524 HydrophobicContact CB-CD1 3.88Å; Q1483-L1524 HydrophobicContact CG-CD1 4.26Å; Q1483-D1528 WeakPolarHBondContact CG-OD2 3.47Å; Q1483-D1528 VanDerWaalsContact NE2-CG 3.3Å; Q1483-D1528 PolarHBondContact NE2-OD1 2.97Å; Q1483-D1528 PolarHBondContact NE2-OD2 3.17Å |
| 1484 | L | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -79.7 | 113.5 | 172.1 | 175.6 | 62.9 | 0 | 0 | 0 | 109.5 | N1465 I1468 F1488 I1510 R1514 L1515 S1525 | N1465-L1484 PolarHBondContact ND2-N 3.45Å; I1468-L1484 HydrophobicContact CB-CD1 4.25Å; I1468-L1484 HydrophobicContact CD1-CB 3.8Å; I1468-L1484 HydrophobicContact CD1-CD1 4.05Å; I1468-L1484 HydrophobicContact CD1-CG 4.46Å; I1468-L1484 HydrophobicContact CG2-CD1 4.09Å; L1484-F1488 HydrophobicContact CD1-CE1 4.08Å; L1484-I1510 HydrophobicContact CD2-CG2 3.73Å; L1484-R1514 HydrophobicContact CD2-CB 3.91Å; L1484-R1514 HydrophobicContact CD2-CG 4.47Å; L1484-L1515 HydrophobicContact CD1-CD1 4.14Å; L1484-L1515 HydrophobicContact CD2-CG 4.32Å; L1484-L1515 HydrophobicContact CG-CD1 4.01Å; L1484-L1515 HydrophobicContact CG-CD2 4.27Å; L1484-L1515 HydrophobicContact CG-CG 4.19Å; L1484-S1525 PolarHBondContact O-N 3.25Å | ||
| 1485 | R | 97.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 19.7 Ų | 19.7 | 2% | 0.023 | 12% | 0.119 | C | C | . | . | trans | -131.8 | 159.1 | 179 | -62.6 | -166.9 | -178.8 | -94.6 | 2.9 | 110.2 | M1370 D1471 Q1483 N1487 F1488 T1523 L1524 H1553 Q1554 | M1370-R1485 HydrophobicContact CE-CB 4.42Å; D1471-R1485 HydrophobicContact CB-CB 4.4Å; D1471-R1485 HydrophobicContact CB-CG 4.35Å; D1471-R1485 WeakPolarHBondContact OD2-CD 3.36Å; D1471-R1485 IonicContact OD2-NE 3.46Å; Q1483-R1485 HydrophobicContact CB-CG 4.36Å; Q1483-R1485 PolarHBondContact O-N 2.73Å; R1485-N1487 PolarHBondContact O-N 3.03Å; R1485-N1487 VanDerWaalsContact O-N 3.14Å; R1485-F1488 VanDerWaalsContact O-CD1 3.24Å; R1485-F1488 WeakPolarHBondContact O-CD1 3.43Å; R1485-F1488 WeakPolarHBondContact O-CE1 3.25Å; R1485-T1523 WeakPolarHBondContact CG-O 3.49Å; R1485-T1523 PolarHBondContact NH1-O 2.93Å; R1485-L1524 HydrophobicContact CG-CD1 4.3Å; R1485-H1553 PolarHBondContact NH1-O 3.21Å; R1485-Q1554 VanDerWaalsContact NH1-OE1 3.14Å | ||
| 1486 | P | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -1.7 | -176.7 | 29.7 | -35.8 | 0 | 0 | 0 | 114.2 | F1488 L1489 L1515 M1521 C1522 P1561 | P1486-F1488 PolarHBondContact O-N 3.06Å; P1486-L1489 HydrophobicContact CB-CD1 3.87Å; P1486-L1489 WeakPolarHBondContact O-CB 3.29Å; P1486-L1489 WeakPolarHBondContact O-CD1 3.16Å; P1486-L1489 WeakPolarHBondContact O-CG 3.36Å; P1486-L1489 PolarHBondContact O-N 2.82Å; P1486-L1489 VanDerWaalsContact O-N 3.11Å; P1486-L1515 HydrophobicContact CB-CD1 4.36Å; P1486-M1521 HydrophobicContact CB-CB 4.25Å; P1486-C1522 WeakPolarHBondContact CD-O 3.1Å; P1486-P1561 HydrophobicContact CB-CB 4.05Å; P1486-P1561 HydrophobicContact CG-CB 4.32Å |
| 1487 | N | 98.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -34.5 | -169.9 | -64.9 | -41 | 0 | 0 | 0 | 114.4 | W1369 M1370 R1389 V1394 D1471 R1485 L1489 I1490 | W1369-N1487 VanDerWaalsContact CE2-OD1 3.28Å; W1369-N1487 VanDerWaalsContact CZ2-OD1 3.32Å; W1369-N1487 WeakPolarHBondContact CZ2-OD1 3.33Å; W1369-N1487 PolarHBondContact NE1-OD1 3.31Å; M1370-N1487 WeakPolarHBondContact CE-ND2 3.38Å; R1389-N1487 PolarHBondContact NH2-ND2 3.17Å; V1394-N1487 HydrophobicContact CG1-CB 3.7Å; D1471-N1487 PolarHBondContact OD1-ND2 3.06Å; R1485-N1487 PolarHBondContact O-N 3.03Å; R1485-N1487 VanDerWaalsContact O-N 3.14Å; N1487-L1489 PolarHBondContact O-N 2.86Å; N1487-L1489 VanDerWaalsContact O-N 3.15Å; N1487-I1490 WeakPolarHBondContact O-CB 3.47Å; N1487-I1490 PolarHBondContact O-N 3.35Å; N1487-I1490 VanDerWaalsContact O-N 3.08Å |
| 1488 | F | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63 | -22.6 | 178.5 | 75.9 | -83.1 | 0 | 0 | 0 | 112.5 | V1394 Y1469 L1484 R1485 P1486 I1490 T1491 M1492 A1507 A1511 | V1394-F1488 HydrophobicContact CG1-CB 4.06Å; V1394-F1488 HydrophobicContact CG2-CB 3.97Å; Y1469-F1488 HydrophobicContact CD2-CD2 4.12Å; L1484-F1488 HydrophobicContact CD1-CE1 4.08Å; R1485-F1488 VanDerWaalsContact O-CD1 3.24Å; R1485-F1488 WeakPolarHBondContact O-CD1 3.43Å; R1485-F1488 WeakPolarHBondContact O-CE1 3.25Å; P1486-F1488 PolarHBondContact O-N 3.06Å; F1488-I1490 PolarHBondContact O-N 3.24Å; F1488-T1491 WeakPolarHBondContact O-CB 3.31Å; F1488-T1491 PolarHBondContact O-N 2.97Å; F1488-T1491 VanDerWaalsContact O-N 3.15Å; F1488-M1492 HydrophobicContact CD2-CG 4.05Å; F1488-M1492 HydrophobicContact CD2-SD 3.53Å; F1488-M1492 VanDerWaalsContact CD2-SD 3.53Å; F1488-M1492 HydrophobicContact CE2-CE 4.42Å; F1488-M1492 HydrophobicContact CE2-SD 3.43Å; F1488-M1492 WeakPolarHBondContact CE2-SD 3.37Å; F1488-M1492 WeakPolarHBondContact O-CG 3.43Å; F1488-M1492 PolarHBondContact O-N 2.89Å; F1488-A1507 HydrophobicContact CE2-CB 3.86Å; F1488-A1507 HydrophobicContact CZ-CB 4.2Å; F1488-A1511 HydrophobicContact CE1-CB 4.41Å; F1488-A1511 HydrophobicContact CZ-CB 3.95Å |
| 1489 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.7 | -29.5 | 176.8 | -56 | 171 | 0 | 0 | 0 | 111.8 | P1486 N1487 M1492 V1493 L1508 M1521 Y1565 | P1486-L1489 HydrophobicContact CB-CD1 3.87Å; P1486-L1489 WeakPolarHBondContact O-CB 3.29Å; P1486-L1489 WeakPolarHBondContact O-CD1 3.16Å; P1486-L1489 WeakPolarHBondContact O-CG 3.36Å; P1486-L1489 PolarHBondContact O-N 2.82Å; P1486-L1489 VanDerWaalsContact O-N 3.11Å; N1487-L1489 PolarHBondContact O-N 2.86Å; N1487-L1489 VanDerWaalsContact O-N 3.15Å; L1489-M1492 HydrophobicContact CD2-SD 4.02Å; L1489-V1493 WeakPolarHBondContact O-CG2 3.18Å; L1489-V1493 PolarHBondContact O-N 2.95Å; L1489-L1508 HydrophobicContact CD2-CD2 3.56Å; L1489-M1521 HydrophobicContact CD1-CE 3.94Å; L1489-Y1565 HydrophobicContact CD1-CD2 4.27Å; L1489-Y1565 HydrophobicContact CD2-CD2 4.26Å |
| 1490 | I | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.2 | -51.4 | 174.7 | -58.5 | 154.2 | 0 | 0 | 0 | 108.9 | E1395 N1487 F1488 M1492 V1493 V1494 W1560 Y1564 | E1395-I1490 HydrophobicContact CB-CB 3.88Å; E1395-I1490 HydrophobicContact CB-CD1 3.73Å; E1395-I1490 HydrophobicContact CB-CG1 4.44Å; E1395-I1490 HydrophobicContact CB-CG2 4.02Å; E1395-I1490 HydrophobicContact CG-CD1 4.1Å; N1487-I1490 WeakPolarHBondContact O-CB 3.47Å; N1487-I1490 PolarHBondContact O-N 3.35Å; N1487-I1490 VanDerWaalsContact O-N 3.08Å; F1488-I1490 PolarHBondContact O-N 3.24Å; I1490-M1492 VanDerWaalsContact C-N 3.31Å; I1490-M1492 PolarHBondContact O-N 3.34Å; I1490-V1493 PolarHBondContact O-N 3.46Å; I1490-V1493 VanDerWaalsContact O-N 3.09Å; I1490-V1494 HydrophobicContact CG2-CG1 4.39Å; I1490-V1494 WeakPolarHBondContact O-CG1 3.4Å; I1490-V1494 WeakPolarHBondContact O-CG2 3.31Å; I1490-V1494 PolarHBondContact O-N 3.12Å; I1490-W1560 HydrophobicContact CD1-CH2 3.56Å; I1490-W1560 HydrophobicContact CD1-CZ3 3.97Å; I1490-W1560 HydrophobicContact CG1-CH2 4.2Å; I1490-W1560 HydrophobicContact CG1-CZ3 4.1Å; I1490-Y1564 HydrophobicContact CB-CD1 4.24Å; I1490-Y1564 HydrophobicContact CB-CE1 4.35Å; I1490-Y1564 HydrophobicContact CG1-CD1 4.16Å; I1490-Y1564 HydrophobicContact CG1-CD2 4.21Å; I1490-Y1564 HydrophobicContact CG1-CE1 4.39Å; I1490-Y1564 HydrophobicContact CG1-CE2 4.45Å; I1490-Y1564 HydrophobicContact CG1-CG 4.04Å; I1490-Y1564 HydrophobicContact CG2-CD1 4.37Å; I1490-Y1564 HydrophobicContact CG2-CE1 3.97Å |
| 1491 | T | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -56.7 | -43.7 | 176.7 | -45.9 | 0 | 0 | 0 | 0 | 111.5 | V1394 E1395 F1447 F1488 V1493 V1494 A1495 L1498 F1499 | V1394-T1491 VanDerWaalsContact C-OG1 3.25Å; V1394-T1491 PolarHBondContact O-OG1 2.9Å; E1395-T1491 WeakPolarHBondContact CA-OG1 3.4Å; E1395-T1491 PolarHBondContact N-OG1 3.33Å; F1447-T1491 HydrophobicContact CE2-CG2 3.77Å; F1447-T1491 HydrophobicContact CZ-CG2 3.81Å; F1488-T1491 WeakPolarHBondContact O-CB 3.31Å; F1488-T1491 PolarHBondContact O-N 2.97Å; F1488-T1491 VanDerWaalsContact O-N 3.15Å; T1491-V1493 PolarHBondContact O-N 3.14Å; T1491-V1494 PolarHBondContact O-N 3.48Å; T1491-A1495 CarbonylContact O-C 3.54Å; T1491-A1495 VanDerWaalsContact O-C 3.25Å; T1491-A1495 WeakPolarHBondContact O-CA 3.43Å; T1491-A1495 PolarHBondContact O-N 3.04Å; T1491-L1498 HydrophobicContact CG2-CD1 3.9Å; T1491-F1499 HydrophobicContact CG2-CE2 3.54Å; T1491-F1499 HydrophobicContact CG2-CZ 3.75Å |
| 1492 | M | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.5 | -35.6 | 177.6 | -72.4 | -175.5 | 106.6 | 0 | 0 | 113.3 | F1488 L1489 I1490 P1496 F1499 A1504 L1508 A1568 F1572 | F1488-M1492 HydrophobicContact CD2-CG 4.05Å; F1488-M1492 HydrophobicContact CD2-SD 3.53Å; F1488-M1492 VanDerWaalsContact CD2-SD 3.53Å; F1488-M1492 HydrophobicContact CE2-CE 4.42Å; F1488-M1492 HydrophobicContact CE2-SD 3.43Å; F1488-M1492 WeakPolarHBondContact CE2-SD 3.37Å; F1488-M1492 WeakPolarHBondContact O-CG 3.43Å; F1488-M1492 PolarHBondContact O-N 2.89Å; L1489-M1492 HydrophobicContact CD2-SD 4.02Å; I1490-M1492 VanDerWaalsContact C-N 3.31Å; I1490-M1492 PolarHBondContact O-N 3.34Å; M1492-P1496 WeakPolarHBondContact O-CA 3.38Å; M1492-P1496 WeakPolarHBondContact O-CB 3.39Å; M1492-F1499 HydrophobicContact CB-CE2 4.34Å; M1492-F1499 HydrophobicContact CB-CZ 4.33Å; M1492-F1499 HydrophobicContact CE-CD1 4.37Å; M1492-F1499 HydrophobicContact CE-CE1 4.49Å; M1492-F1499 HydrophobicContact CG-CD1 4.13Å; M1492-F1499 HydrophobicContact CG-CD2 4.37Å; M1492-F1499 HydrophobicContact CG-CE1 3.6Å; M1492-F1499 HydrophobicContact CG-CE2 3.87Å; M1492-F1499 HydrophobicContact CG-CZ 3.45Å; M1492-F1499 VanDerWaalsContact CG-CZ 3.45Å; M1492-A1504 HydrophobicContact CE-CB 3.41Å; M1492-A1504 VanDerWaalsContact CE-CB 3.41Å; M1492-A1504 WeakPolarHBondContact CE-O 3.25Å; M1492-L1508 HydrophobicContact CE-CD1 3.66Å; M1492-L1508 HydrophobicContact CE-CD2 4.27Å; M1492-L1508 HydrophobicContact CE-CG 3.7Å; M1492-L1508 HydrophobicContact SD-CD1 4.31Å; M1492-L1508 HydrophobicContact SD-CD2 3.88Å; M1492-L1508 HydrophobicContact SD-CG 3.96Å; M1492-A1568 HydrophobicContact CB-CB 3.82Å; M1492-A1568 HydrophobicContact SD-CB 4.07Å; M1492-F1572 HydrophobicContact CB-CE2 3.82Å; M1492-F1572 HydrophobicContact CE-CD2 3.82Å; M1492-F1572 HydrophobicContact CE-CE2 3.72Å; M1492-F1572 HydrophobicContact CE-CG 4.36Å; M1492-F1572 HydrophobicContact CE-CZ 4.16Å; M1492-F1572 HydrophobicContact CG-CE2 4.14Å |
| 1493 | V | 97.7 | Very high | 97.4 | Very high | 8 Ų | 8 | 19.9 Ų | 19.9 | 5% | 0.048 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -81.9 | -49.3 | -178.4 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | L1489 I1490 T1491 Y1564 R1567 A1568 K1571 | L1489-V1493 WeakPolarHBondContact O-CG2 3.18Å; L1489-V1493 PolarHBondContact O-N 2.95Å; I1490-V1493 PolarHBondContact O-N 3.46Å; I1490-V1493 VanDerWaalsContact O-N 3.09Å; T1491-V1493 PolarHBondContact O-N 3.14Å; V1493-Y1564 HydrophobicContact CB-CD1 3.81Å; V1493-Y1564 HydrophobicContact CB-CE1 4.28Å; V1493-Y1564 HydrophobicContact CG1-CD1 4.08Å; V1493-Y1564 HydrophobicContact CG1-CE1 4.24Å; V1493-Y1564 HydrophobicContact CG2-CD1 3.88Å; V1493-Y1564 VanDerWaalsContact CG2-O 3.31Å; V1493-Y1564 WeakPolarHBondContact CG2-O 3.22Å; V1493-R1567 HydrophobicContact CG1-CB 4.25Å; V1493-R1567 HydrophobicContact CG2-CB 3.61Å; V1493-A1568 HydrophobicContact CG2-CB 4.02Å; V1493-K1571 PolarHBondContact O-NZ 3.41Å |
| 1494 | V | 97.4 | Very high | 97.6 | Very high | 14 Ų | 14 | 19.7 Ų | 19.7 | 9% | 0.085 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -78.6 | -25.2 | -173.6 | -51 | 0 | 0 | 0 | 0 | 112.9 | Y1251 L1399 A1402 I1490 T1491 Y1564 | Y1251-V1494 HydrophobicContact CD1-CG1 4.25Å; Y1251-V1494 HydrophobicContact CE1-CB 4.1Å; Y1251-V1494 HydrophobicContact CE1-CG1 3.42Å; Y1251-V1494 VanDerWaalsContact CE1-CG1 3.42Å; Y1251-V1494 HydrophobicContact CE2-CB 3.94Å; Y1251-V1494 HydrophobicContact CE2-CG1 4.21Å; Y1251-V1494 VanDerWaalsContact CZ-CG1 3.43Å; Y1251-V1494 WeakPolarHBondContact OH-CG1 3.32Å; L1399-V1494 HydrophobicContact CD2-CG1 4.34Å; L1399-V1494 HydrophobicContact CD2-CG2 4.37Å; A1402-V1494 HydrophobicContact CB-CB 4.27Å; A1402-V1494 HydrophobicContact CB-CG2 4.31Å; A1402-V1494 WeakPolarHBondContact CB-O 3.3Å; I1490-V1494 HydrophobicContact CG2-CG1 4.39Å; I1490-V1494 WeakPolarHBondContact O-CG1 3.4Å; I1490-V1494 WeakPolarHBondContact O-CG2 3.31Å; I1490-V1494 PolarHBondContact O-N 3.12Å; T1491-V1494 PolarHBondContact O-N 3.48Å; V1494-Y1564 HydrophobicContact CG1-CE1 4.32Å |
| 1495 | A | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -147 | 57.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1401 T1491 E1497 L1498 | Y1401-A1495 HydrophobicContact CD1-CB 3.57Å; Y1401-A1495 HydrophobicContact CE1-CB 4.36Å; Y1401-A1495 HydrophobicContact CG-CB 4.4Å; T1491-A1495 CarbonylContact O-C 3.54Å; T1491-A1495 VanDerWaalsContact O-C 3.25Å; T1491-A1495 WeakPolarHBondContact O-CA 3.43Å; T1491-A1495 PolarHBondContact O-N 3.04Å; A1495-E1497 WeakPolarHBondContact CA-OE2 3.35Å; A1495-E1497 PolarHBondContact O-N 2.81Å; A1495-E1497 VanDerWaalsContact O-N 3.13Å; A1495-L1498 HydrophobicContact CB-CD1 3.79Å; A1495-L1498 HydrophobicContact CB-CG 4.08Å; A1495-L1498 WeakPolarHBondContact O-CB 3.31Å; A1495-L1498 PolarHBondContact O-N 2.93Å | ||
| 1496 | P | 97.1 | Very high | 97.6 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.032 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -60.5 | -22.9 | -179 | 34.2 | -45 | 0 | 0 | 0 | 113.1 | M1492 L1498 F1499 K1571 F1572 M1575 | M1492-P1496 WeakPolarHBondContact O-CA 3.38Å; M1492-P1496 WeakPolarHBondContact O-CB 3.39Å; P1496-L1498 PolarHBondContact O-N 3.29Å; P1496-F1499 PolarHBondContact O-N 3.04Å; P1496-K1571 HydrophobicContact CB-CD 4.04Å; P1496-K1571 HydrophobicContact CG-CD 4.17Å; P1496-F1572 HydrophobicContact CB-CE2 4.2Å; P1496-F1572 HydrophobicContact CB-CZ 3.92Å; P1496-M1575 HydrophobicContact CB-SD 4.27Å |
| 1497 | E | 95.8 | Very high | 97.6 | Very high | 99 Ų | 99 | 22.3 Ų | 22.3 | 46% | 0.463 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -69.8 | -13.6 | -176.3 | -53.3 | 78.4 | -171 | 0 | 0 | 112.5 | Y1401 K1444 A1495 F1499 | Y1401-E1497 HydrophobicContact CE1-CB 4.12Å; K1444-E1497 WeakPolarHBondContact CE-O 3.34Å; A1495-E1497 WeakPolarHBondContact CA-OE2 3.35Å; A1495-E1497 PolarHBondContact O-N 2.81Å; A1495-E1497 VanDerWaalsContact O-N 3.13Å; E1497-F1499 VanDerWaalsContact C-N 3.29Å |
| 1498 | L | 98 | Very high | 97.6 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -74.5 | -20.7 | 172 | -66.2 | -178.6 | 0 | 0 | 0 | 112.4 | Y1401 K1444 F1447 E1448 T1491 A1495 P1496 | Y1401-L1498 HydrophobicContact CD1-CD1 4.18Å; Y1401-L1498 HydrophobicContact CD1-CD2 3.97Å; Y1401-L1498 HydrophobicContact CD1-CG 3.84Å; Y1401-L1498 HydrophobicContact CD2-CD2 3.67Å; Y1401-L1498 HydrophobicContact CD2-CG 4.42Å; Y1401-L1498 HydrophobicContact CE1-CD2 4.2Å; Y1401-L1498 HydrophobicContact CE1-CG 4.2Å; Y1401-L1498 HydrophobicContact CE2-CD2 3.96Å; Y1401-L1498 HydrophobicContact CG-CD1 4.02Å; Y1401-L1498 HydrophobicContact CG-CD2 3.67Å; Y1401-L1498 HydrophobicContact CG-CG 3.92Å; K1444-L1498 HydrophobicContact CB-CD2 4.1Å; K1444-L1498 HydrophobicContact CG-CD2 4.27Å; F1447-L1498 HydrophobicContact CB-CB 4.28Å; F1447-L1498 HydrophobicContact CB-CD2 4.11Å; F1447-L1498 HydrophobicContact CD1-CB 3.65Å; F1447-L1498 WeakPolarHBondContact CD1-O 3.45Å; F1447-L1498 HydrophobicContact CD2-CB 4.42Å; F1447-L1498 HydrophobicContact CD2-CD1 3.9Å; F1447-L1498 HydrophobicContact CE1-CB 4.04Å; F1447-L1498 HydrophobicContact CE2-CD1 4.23Å; F1447-L1498 HydrophobicContact CG-CB 3.85Å; F1447-L1498 HydrophobicContact CG-CD1 4.09Å; F1447-L1498 HydrophobicContact CG-CD2 4.43Å; F1447-L1498 HydrophobicContact CG-CG 4.37Å; E1448-L1498 WeakPolarHBondContact CG-O 3.26Å; T1491-L1498 HydrophobicContact CG2-CD1 3.9Å; A1495-L1498 HydrophobicContact CB-CD1 3.79Å; A1495-L1498 HydrophobicContact CB-CG 4.08Å; A1495-L1498 WeakPolarHBondContact O-CB 3.31Å; A1495-L1498 PolarHBondContact O-N 2.93Å; P1496-L1498 PolarHBondContact O-N 3.29Å |
| 1499 | F | 98.1 | Very high | 97.6 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 6% | 0.057 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -102 | 144.2 | -169.7 | -66.1 | -101.7 | 0 | 0 | 0 | 112.4 | F1447 E1448 Y1469 T1491 M1492 P1496 E1497 P1501 A1504 F1572 | F1447-F1499 HydrophobicContact CE1-CD1 4.05Å; F1447-F1499 HydrophobicContact CE1-CD2 4.21Å; F1447-F1499 AromaticContact CE1-CE1 3.75Å; F1447-F1499 HydrophobicContact CE1-CE1 3.75Å; F1447-F1499 AromaticContact CE1-CE2 3.93Å; F1447-F1499 HydrophobicContact CE1-CE2 3.93Å; F1447-F1499 HydrophobicContact CE1-CG 4.26Å; F1447-F1499 AromaticContact CE1-CZ 3.68Å; F1447-F1499 HydrophobicContact CE1-CZ 3.68Å; F1447-F1499 AromaticContact CZ-CE1 3.89Å; F1447-F1499 HydrophobicContact CZ-CE1 3.89Å; F1447-F1499 AromaticContact CZ-CE2 3.93Å; F1447-F1499 HydrophobicContact CZ-CE2 3.93Å; F1447-F1499 AromaticContact CZ-CZ 3.49Å; F1447-F1499 HydrophobicContact CZ-CZ 3.49Å; F1447-F1499 VanDerWaalsContact CZ-CZ 3.49Å; E1448-F1499 WeakPolarHBondContact OE1-CA 3.3Å; Y1469-F1499 HydrophobicContact CD1-CD1 4.39Å; Y1469-F1499 AromaticContact CD1-CE1 3.96Å; Y1469-F1499 HydrophobicContact CD1-CE1 3.96Å; Y1469-F1499 HydrophobicContact CD2-CD1 4.26Å; Y1469-F1499 AromaticContact CD2-CE1 3.87Å; Y1469-F1499 HydrophobicContact CD2-CE1 3.87Å; Y1469-F1499 AromaticContact CE1-CD1 3.75Å; Y1469-F1499 HydrophobicContact CE1-CD1 3.75Å; Y1469-F1499 AromaticContact CE1-CE1 3.79Å; Y1469-F1499 HydrophobicContact CE1-CE1 3.79Å; Y1469-F1499 AromaticContact CE2-CD1 3.62Å; Y1469-F1499 HydrophobicContact CE2-CD1 3.62Å; Y1469-F1499 AromaticContact CE2-CE1 3.71Å; Y1469-F1499 HydrophobicContact CE2-CE1 3.71Å; Y1469-F1499 HydrophobicContact CG-CE1 4Å; Y1469-F1499 AromaticContact CZ-CD1 3.33Å; Y1469-F1499 AromaticContact CZ-CE1 3.68Å; Y1469-F1499 WeakPolarHBondContact OH-CD1 3.49Å; T1491-F1499 HydrophobicContact CG2-CE2 3.54Å; T1491-F1499 HydrophobicContact CG2-CZ 3.75Å; M1492-F1499 HydrophobicContact CB-CE2 4.34Å; M1492-F1499 HydrophobicContact CB-CZ 4.33Å; M1492-F1499 HydrophobicContact CE-CD1 4.37Å; M1492-F1499 HydrophobicContact CE-CE1 4.49Å; M1492-F1499 HydrophobicContact CG-CD1 4.13Å; M1492-F1499 HydrophobicContact CG-CD2 4.37Å; M1492-F1499 HydrophobicContact CG-CE1 3.6Å; M1492-F1499 HydrophobicContact CG-CE2 3.87Å; M1492-F1499 HydrophobicContact CG-CZ 3.45Å; M1492-F1499 VanDerWaalsContact CG-CZ 3.45Å; P1496-F1499 PolarHBondContact O-N 3.04Å; E1497-F1499 VanDerWaalsContact C-N 3.29Å; F1499-P1501 WeakPolarHBondContact O-CD 3.42Å; F1499-A1504 HydrophobicContact CB-CB 3.99Å; F1499-A1504 HydrophobicContact CD1-CB 4.2Å; F1499-A1504 HydrophobicContact CG-CB 4.42Å; F1499-F1572 HydrophobicContact CB-CE1 3.95Å; F1499-F1572 HydrophobicContact CB-CZ 3.78Å; F1499-F1572 HydrophobicContact CD2-CZ 4.28Å; F1499-F1572 HydrophobicContact CG-CZ 4.06Å |
| 1500 | T | 96.5 | Very high | 97.5 | Very high | 50 Ų | 50 | 25.4 Ų | 25.4 | 31% | 0.307 | 12% | 0.123 | S | C | . | . | trans | -76.2 | 118.4 | 160.2 | -53.2 | 0 | 0 | 0 | 0 | 108.5 | E1448 E1502 R1503 A1504 | E1448-T1500 PolarHBondContact OE1-N 3.27Å; E1448-T1500 PolarHBondContact OE1-OG1 2.9Å; T1500-E1502 VanDerWaalsContact C-N 3.29Å; T1500-E1502 PolarHBondContact O-N 3.42Å; T1500-E1502 VanDerWaalsContact O-N 3.13Å; T1500-R1503 HydrophobicContact CG2-CG 4.2Å; T1500-R1503 WeakPolarHBondContact O-CB 3.49Å; T1500-R1503 PolarHBondContact O-N 3.38Å; T1500-A1504 WeakPolarHBondContact O-CB 3.43Å; T1500-A1504 PolarHBondContact O-N 2.94Å | ||
| 1501 | P | 96.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 25.3 Ų | 25.3 | 16% | 0.156 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.2 | -36.4 | -169.8 | -31.9 | 40.2 | 0 | 0 | 0 | 115.6 | F1499 A1504 W1505 F1572 M1575 L1576 L1579 | F1499-P1501 WeakPolarHBondContact O-CD 3.42Å; P1501-A1504 WeakPolarHBondContact O-CB 3.42Å; P1501-W1505 WeakPolarHBondContact O-CB 3.33Å; P1501-W1505 PolarHBondContact O-N 3.4Å; P1501-F1572 HydrophobicContact CB-CD1 4.27Å; P1501-M1575 HydrophobicContact CG-CE 3.92Å; P1501-L1576 HydrophobicContact CB-CD2 3.73Å; P1501-L1576 HydrophobicContact CB-CG 4.21Å; P1501-L1579 HydrophobicContact CB-CD1 3.79Å; P1501-L1579 HydrophobicContact CG-CD1 3.79Å |
| 1502 | E | 95.9 | Very high | 97.4 | Very high | 87 Ų | 87 | 28 Ų | 28 | 41% | 0.407 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -71.1 | -38.4 | 178.1 | -62.7 | 83.9 | 170.7 | 0 | 0 | 112.3 | T1500 W1505 N1506 L1576 W1584 | T1500-E1502 VanDerWaalsContact C-N 3.29Å; T1500-E1502 PolarHBondContact O-N 3.42Å; T1500-E1502 VanDerWaalsContact O-N 3.13Å; E1502-W1505 PolarHBondContact O-N 2.99Å; E1502-N1506 PolarHBondContact O-N 3.12Å; E1502-L1576 HydrophobicContact CG-CD2 3.98Å; E1502-W1584 HydrophobicContact CG-CZ2 4.38Å |
| 1503 | R | 97.3 | Very high | 97.2 | Very high | 97 Ų | 97 | 34.3 Ų | 34.3 | 37% | 0.366 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68.3 | -41.5 | 175.3 | -65.2 | -179.4 | -179 | 177.7 | 1.2 | 111 | E1448 W1452 Y1469 T1500 W1505 N1506 A1507 | E1448-R1503 VanDerWaalsContact OE2-CD 3.3Å; E1448-R1503 WeakPolarHBondContact OE2-CD 3.42Å; E1448-R1503 IonicContact OE2-CZ 3.72Å; E1448-R1503 IonicContact OE2-NE 3.94Å; E1448-R1503 IonicContact OE2-NH1 2.73Å; E1448-R1503 PolarHBondContact OE2-NH1 2.9Å; W1452-R1503 HydrophobicContact CD2-CB 4.13Å; W1452-R1503 HydrophobicContact CD2-CG 4.2Å; W1452-R1503 HydrophobicContact CE3-CB 4.01Å; W1452-R1503 HydrophobicContact CH2-CB 3.75Å; W1452-R1503 HydrophobicContact CH2-CG 4.16Å; W1452-R1503 HydrophobicContact CZ2-CB 3.89Å; W1452-R1503 HydrophobicContact CZ2-CG 3.76Å; W1452-R1503 HydrophobicContact CZ3-CB 3.82Å; W1452-R1503 WeakPolarHBondContact CZ3-O 3.34Å; Y1469-R1503 WeakPolarHBondContact OH-CB 3.32Å; T1500-R1503 HydrophobicContact CG2-CG 4.2Å; T1500-R1503 WeakPolarHBondContact O-CB 3.49Å; T1500-R1503 PolarHBondContact O-N 3.38Å; R1503-W1505 VanDerWaalsContact C-N 3.33Å; R1503-W1505 PolarHBondContact O-N 3.36Å; R1503-N1506 WeakPolarHBondContact O-CB 3.43Å; R1503-N1506 PolarHBondContact O-N 2.96Å; R1503-A1507 PolarHBondContact O-N 3.23Å |
| 1504 | A | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.5 | -49 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1492 F1499 T1500 P1501 A1507 L1508 F1572 | M1492-A1504 HydrophobicContact CE-CB 3.41Å; M1492-A1504 VanDerWaalsContact CE-CB 3.41Å; M1492-A1504 WeakPolarHBondContact CE-O 3.25Å; F1499-A1504 HydrophobicContact CB-CB 3.99Å; F1499-A1504 HydrophobicContact CD1-CB 4.2Å; F1499-A1504 HydrophobicContact CG-CB 4.42Å; T1500-A1504 WeakPolarHBondContact O-CB 3.43Å; T1500-A1504 PolarHBondContact O-N 2.94Å; P1501-A1504 WeakPolarHBondContact O-CB 3.42Å; A1504-A1507 PolarHBondContact O-N 3.05Å; A1504-L1508 WeakPolarHBondContact O-CG 3.38Å; A1504-L1508 PolarHBondContact O-N 2.93Å; A1504-F1572 HydrophobicContact CB-CD1 3.4Å; A1504-F1572 HydrophobicContact CB-CD2 4.46Å; A1504-F1572 HydrophobicContact CB-CE1 3.24Å; A1504-F1572 HydrophobicContact CB-CE2 4.36Å; A1504-F1572 HydrophobicContact CB-CG 4.03Å; A1504-F1572 HydrophobicContact CB-CZ 3.77Å |
| 1505 | W | 97.9 | Very high | 97.2 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 177.7 | -169.9 | -99.2 | 0 | 0 | 0 | 112.8 | P1501 E1502 R1503 A1507 L1508 E1509 R1569 F1572 A1573 L1576 W1584 L1587 V1591 | P1501-W1505 WeakPolarHBondContact O-CB 3.33Å; P1501-W1505 PolarHBondContact O-N 3.4Å; E1502-W1505 PolarHBondContact O-N 2.99Å; R1503-W1505 VanDerWaalsContact C-N 3.33Å; R1503-W1505 PolarHBondContact O-N 3.36Å; W1505-A1507 VanDerWaalsContact C-N 3.3Å; W1505-A1507 PolarHBondContact O-N 3.37Å; W1505-L1508 HydrophobicContact CE3-CD1 4.12Å; W1505-L1508 HydrophobicContact CZ3-CD1 4.49Å; W1505-L1508 WeakPolarHBondContact O-CB 3.29Å; W1505-L1508 PolarHBondContact O-N 3.39Å; W1505-E1509 VanDerWaalsContact CZ2-OE1 3.31Å; W1505-E1509 WeakPolarHBondContact CZ2-OE1 3.44Å; W1505-E1509 PolarHBondContact NE1-OE1 3.02Å; W1505-E1509 WeakPolarHBondContact O-CG 3.3Å; W1505-E1509 PolarHBondContact O-N 3.23Å; W1505-R1569 VanDerWaalsContact CH2-CZ 3.47Å; W1505-F1572 HydrophobicContact CE3-CB 4.1Å; W1505-A1573 HydrophobicContact CH2-CB 3.97Å; W1505-A1573 HydrophobicContact CZ3-CB 3.75Å; W1505-L1576 HydrophobicContact CB-CD1 3.43Å; W1505-L1576 VanDerWaalsContact CB-CD1 3.43Å; W1505-L1576 HydrophobicContact CD2-CD1 3.85Å; W1505-L1576 HydrophobicContact CE3-CD1 4.14Å; W1505-L1576 HydrophobicContact CG-CD1 3.53Å; W1505-W1584 AromaticContact CD1-CZ3 3.94Å; W1505-L1587 HydrophobicContact CD2-CD1 3.89Å; W1505-L1587 VanDerWaalsContact CE2-CD1 3.44Å; W1505-L1587 HydrophobicContact CE3-CD1 4.28Å; W1505-L1587 HydrophobicContact CH2-CB 4.23Å; W1505-L1587 HydrophobicContact CH2-CD1 3.85Å; W1505-L1587 HydrophobicContact CH2-CD2 4.08Å; W1505-L1587 HydrophobicContact CH2-CG 4.29Å; W1505-L1587 HydrophobicContact CZ2-CB 4.32Å; W1505-L1587 HydrophobicContact CZ2-CD1 3.46Å; W1505-L1587 VanDerWaalsContact CZ2-CD1 3.46Å; W1505-L1587 HydrophobicContact CZ2-CD2 3.37Å; W1505-L1587 HydrophobicContact CZ2-CG 3.89Å; W1505-L1587 HydrophobicContact CZ3-CD1 4.26Å; W1505-V1591 HydrophobicContact CH2-CG2 3.63Å; W1505-V1591 HydrophobicContact CZ3-CG2 4.32Å |
| 1506 | N | 97.1 | Very high | 97.1 | Very high | 48 Ų | 48 | 38 Ų | 38 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -56.5 | -44.5 | 174.6 | -165.6 | 66.6 | 0 | 0 | 0 | 112.4 | W1452 E1455 G1467 E1502 R1503 L1508 E1509 I1510 | W1452-N1506 HydrophobicContact CH2-CB 4.29Å; E1455-N1506 PolarHBondContact OE1-ND2 3.24Å; E1455-N1506 PolarHBondContact OE1-OD1 3.03Å; G1467-N1506 PolarHBondContact O-ND2 2.83Å; E1502-N1506 PolarHBondContact O-N 3.12Å; R1503-N1506 WeakPolarHBondContact O-CB 3.43Å; R1503-N1506 PolarHBondContact O-N 2.96Å; N1506-L1508 VanDerWaalsContact C-N 3.33Å; N1506-L1508 PolarHBondContact O-N 3.11Å; N1506-E1509 PolarHBondContact O-N 3.33Å; N1506-I1510 WeakPolarHBondContact O-CG1 3.46Å; N1506-I1510 PolarHBondContact O-N 3.37Å; N1506-I1510 VanDerWaalsContact O-N 3.11Å |
| 1507 | A | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.1 | -35.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W1452 Y1469 F1488 R1503 A1504 W1505 I1510 A1511 | W1452-A1507 HydrophobicContact CZ3-CB 4.37Å; Y1469-A1507 HydrophobicContact CD2-CB 3.65Å; Y1469-A1507 HydrophobicContact CE2-CB 3.87Å; F1488-A1507 HydrophobicContact CE2-CB 3.86Å; F1488-A1507 HydrophobicContact CZ-CB 4.2Å; R1503-A1507 PolarHBondContact O-N 3.23Å; A1504-A1507 PolarHBondContact O-N 3.05Å; W1505-A1507 VanDerWaalsContact C-N 3.3Å; W1505-A1507 PolarHBondContact O-N 3.37Å; A1507-I1510 PolarHBondContact O-N 2.98Å; A1507-A1511 WeakPolarHBondContact O-CB 3.46Å; A1507-A1511 PolarHBondContact O-N 3.26Å |
| 1508 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.6 | -38.7 | 175.4 | -75.8 | 164.9 | 0 | 0 | 0 | 112.6 | L1489 M1492 A1504 W1505 N1506 A1511 Q1512 Y1565 A1568 R1569 F1572 | L1489-L1508 HydrophobicContact CD2-CD2 3.56Å; M1492-L1508 HydrophobicContact CE-CD1 3.66Å; M1492-L1508 HydrophobicContact CE-CD2 4.27Å; M1492-L1508 HydrophobicContact CE-CG 3.7Å; M1492-L1508 HydrophobicContact SD-CD1 4.31Å; M1492-L1508 HydrophobicContact SD-CD2 3.88Å; M1492-L1508 HydrophobicContact SD-CG 3.96Å; A1504-L1508 WeakPolarHBondContact O-CG 3.38Å; A1504-L1508 PolarHBondContact O-N 2.93Å; W1505-L1508 HydrophobicContact CE3-CD1 4.12Å; W1505-L1508 HydrophobicContact CZ3-CD1 4.49Å; W1505-L1508 WeakPolarHBondContact O-CB 3.29Å; W1505-L1508 PolarHBondContact O-N 3.39Å; N1506-L1508 VanDerWaalsContact C-N 3.33Å; N1506-L1508 PolarHBondContact O-N 3.11Å; L1508-A1511 PolarHBondContact O-N 2.78Å; L1508-Q1512 WeakPolarHBondContact O-CB 3.46Å; L1508-Q1512 PolarHBondContact O-N 3.39Å; L1508-Y1565 HydrophobicContact CD2-CD2 4.23Å; L1508-Y1565 HydrophobicContact CD2-CE2 4.32Å; L1508-A1568 HydrophobicContact CD1-CB 4.48Å; L1508-A1568 HydrophobicContact CD2-CB 3.88Å; L1508-R1569 HydrophobicContact CD2-CG 4.26Å; L1508-F1572 HydrophobicContact CD1-CB 4.02Å; L1508-F1572 HydrophobicContact CD1-CD2 4.29Å; L1508-F1572 HydrophobicContact CD1-CG 4.36Å |
| 1509 | E | 97.8 | Very high | 96.8 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 174.7 | -68.9 | -63.2 | 131.3 | 0 | 0 | 111 | W1505 N1506 Q1512 Q1513 R1569 | W1505-E1509 VanDerWaalsContact CZ2-OE1 3.31Å; W1505-E1509 WeakPolarHBondContact CZ2-OE1 3.44Å; W1505-E1509 PolarHBondContact NE1-OE1 3.02Å; W1505-E1509 WeakPolarHBondContact O-CG 3.3Å; W1505-E1509 PolarHBondContact O-N 3.23Å; N1506-E1509 PolarHBondContact O-N 3.33Å; E1509-Q1512 WeakPolarHBondContact O-CB 3.33Å; E1509-Q1512 PolarHBondContact O-N 2.83Å; E1509-Q1513 WeakPolarHBondContact O-CG 3.37Å; E1509-Q1513 PolarHBondContact O-N 2.98Å; E1509-Q1513 VanDerWaalsContact O-N 3.1Å; E1509-R1569 IonicContact OE1-CZ 2.71Å; E1509-R1569 IonicContact OE1-NH1 2.8Å; E1509-R1569 PolarHBondContact OE1-NH1 2.92Å; E1509-R1569 IonicContact OE1-NH2 2.65Å |
| 1510 | I | 96.6 | Very high | 96.7 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 8% | 0.077 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 175 | -65.5 | 169.7 | 0 | 0 | 0 | 111 | K1466 G1467 I1468 L1484 N1506 A1507 Q1512 Q1513 R1514 | K1466-I1510 WeakPolarHBondContact O-CD1 3.1Å; G1467-I1510 WeakPolarHBondContact O-CD1 3.32Å; I1468-I1510 HydrophobicContact CG2-CB 4.17Å; I1468-I1510 HydrophobicContact CG2-CD1 3.72Å; I1468-I1510 HydrophobicContact CG2-CG2 3.7Å; L1484-I1510 HydrophobicContact CD2-CG2 3.73Å; N1506-I1510 WeakPolarHBondContact O-CG1 3.46Å; N1506-I1510 PolarHBondContact O-N 3.37Å; N1506-I1510 VanDerWaalsContact O-N 3.11Å; A1507-I1510 PolarHBondContact O-N 2.98Å; I1510-Q1512 VanDerWaalsContact C-N 3.32Å; I1510-Q1512 PolarHBondContact O-N 2.93Å; I1510-Q1513 PolarHBondContact O-N 2.94Å; I1510-R1514 HydrophobicContact CG2-CG 4.33Å; I1510-R1514 WeakPolarHBondContact O-CB 3.39Å; I1510-R1514 WeakPolarHBondContact O-CG 3.39Å; I1510-R1514 PolarHBondContact O-N 2.99Å |
| 1511 | A | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1488 A1507 L1508 Q1513 R1514 L1515 T1516 | F1488-A1511 HydrophobicContact CE1-CB 4.41Å; F1488-A1511 HydrophobicContact CZ-CB 3.95Å; A1507-A1511 WeakPolarHBondContact O-CB 3.46Å; A1507-A1511 PolarHBondContact O-N 3.26Å; L1508-A1511 PolarHBondContact O-N 2.78Å; A1511-Q1513 VanDerWaalsContact C-N 3.34Å; A1511-Q1513 PolarHBondContact O-N 3.42Å; A1511-R1514 PolarHBondContact O-N 3.44Å; A1511-L1515 HydrophobicContact CB-CD1 4.06Å; A1511-L1515 WeakPolarHBondContact O-CA 3.46Å; A1511-L1515 VanDerWaalsContact O-CB 3.32Å; A1511-L1515 WeakPolarHBondContact O-CB 3.17Å; A1511-L1515 PolarHBondContact O-N 2.93Å; A1511-T1516 PolarHBondContact O-N 3.21Å |
| 1512 | Q | 97.2 | Very high | 96.8 | Very high | 55 Ų | 55 | 32.9 Ų | 32.9 | 26% | 0.257 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.5 | -50.7 | 173.3 | -172.9 | 171.9 | 46.1 | 0 | 0 | 110.5 | L1508 E1509 I1510 T1516 Y1565 E1594 | L1508-Q1512 WeakPolarHBondContact O-CB 3.46Å; L1508-Q1512 PolarHBondContact O-N 3.39Å; E1509-Q1512 WeakPolarHBondContact O-CB 3.33Å; E1509-Q1512 PolarHBondContact O-N 2.83Å; I1510-Q1512 VanDerWaalsContact C-N 3.32Å; I1510-Q1512 PolarHBondContact O-N 2.93Å; Q1512-T1516 HydrophobicContact CG-CG2 4.42Å; Q1512-T1516 WeakPolarHBondContact O-CB 3.35Å; Q1512-T1516 PolarHBondContact O-OG1 3.24Å; Q1512-Y1565 VanDerWaalsContact CB-OH 3.25Å; Q1512-Y1565 WeakPolarHBondContact CB-OH 3.25Å; Q1512-Y1565 VanDerWaalsContact CG-OH 3.22Å; Q1512-Y1565 WeakPolarHBondContact CG-OH 3.31Å; Q1512-Y1565 PolarHBondContact NE2-OH 3.08Å; Q1512-E1594 VanDerWaalsContact NE2-CD 3.31Å; Q1512-E1594 PolarHBondContact NE2-OE1 3.09Å; Q1512-E1594 PolarHBondContact NE2-OE2 2.93Å |
| 1513 | Q | 95.9 | Very high | 96.9 | Very high | 134 Ų | 134 | 28.7 Ų | 28.7 | 63% | 0.626 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -68 | -39.3 | -176.9 | -66.4 | 168.1 | 17.4 | 0 | 0 | 113.1 | E1509 I1510 A1511 | E1509-Q1513 WeakPolarHBondContact O-CG 3.37Å; E1509-Q1513 PolarHBondContact O-N 2.98Å; E1509-Q1513 VanDerWaalsContact O-N 3.1Å; I1510-Q1513 PolarHBondContact O-N 2.94Å; A1511-Q1513 VanDerWaalsContact C-N 3.34Å; A1511-Q1513 PolarHBondContact O-N 3.42Å |
| 1514 | R | 95.9 | Very high | 97 | Very high | 59 Ų | 59 | 24.1 Ų | 24.1 | 22% | 0.223 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -106.5 | -21.5 | -166.1 | -60.4 | -176.6 | -172.9 | -171.8 | 1.4 | 115.3 | Y1464 L1484 I1510 A1511 D1527 | Y1464-R1514 PolarHBondContact O-NH1 3.26Å; L1484-R1514 HydrophobicContact CD2-CB 3.91Å; L1484-R1514 HydrophobicContact CD2-CG 4.47Å; I1510-R1514 HydrophobicContact CG2-CG 4.33Å; I1510-R1514 WeakPolarHBondContact O-CB 3.39Å; I1510-R1514 WeakPolarHBondContact O-CG 3.39Å; I1510-R1514 PolarHBondContact O-N 2.99Å; A1511-R1514 PolarHBondContact O-N 3.44Å; R1514-D1527 WeakPolarHBondContact CD-OD2 3.47Å; R1514-D1527 IonicContact CZ-OD2 2.89Å; R1514-D1527 IonicContact NE-OD2 3.82Å; R1514-D1527 PolarHBondContact NE-OD2 3.4Å; R1514-D1527 IonicContact NH1-OD2 2.75Å |
| 1515 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -116 | -24.5 | -175.1 | -59.1 | 177.8 | 0 | 0 | 0 | 114.1 | L1484 P1486 A1511 G1517 M1521 C1522 | L1484-L1515 HydrophobicContact CD1-CD1 4.14Å; L1484-L1515 HydrophobicContact CD2-CG 4.32Å; L1484-L1515 HydrophobicContact CG-CD1 4.01Å; L1484-L1515 HydrophobicContact CG-CD2 4.27Å; L1484-L1515 HydrophobicContact CG-CG 4.19Å; P1486-L1515 HydrophobicContact CB-CD1 4.36Å; A1511-L1515 HydrophobicContact CB-CD1 4.06Å; A1511-L1515 WeakPolarHBondContact O-CA 3.46Å; A1511-L1515 VanDerWaalsContact O-CB 3.32Å; A1511-L1515 WeakPolarHBondContact O-CB 3.17Å; A1511-L1515 PolarHBondContact O-N 2.93Å; L1515-G1517 PolarHBondContact O-N 2.78Å; L1515-M1521 HydrophobicContact CB-CE 3.66Å; L1515-M1521 CarbonylContact O-C 3.49Å; L1515-M1521 WeakPolarHBondContact O-CA 3.25Å; L1515-C1522 HydrophobicContact CD2-CB 4.4Å; L1515-C1522 PolarHBondContact O-N 3.41Å |
| 1516 | T | 96.9 | Very high | 96.7 | Very high | 40 Ų | 40 | 27 Ų | 27 | 25% | 0.245 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -71.9 | 133.1 | -176.3 | 66 | 0 | 0 | 0 | 0 | 112 | A1511 Q1512 M1521 R1526 Y1565 | A1511-T1516 PolarHBondContact O-N 3.21Å; Q1512-T1516 HydrophobicContact CG-CG2 4.42Å; Q1512-T1516 WeakPolarHBondContact O-CB 3.35Å; Q1512-T1516 PolarHBondContact O-OG1 3.24Å; T1516-M1521 HydrophobicContact CG2-CE 3.93Å; T1516-M1521 HydrophobicContact CG2-SD 3.62Å; T1516-R1526 PolarHBondContact O-NH1 2.94Å; T1516-R1526 PolarHBondContact O-NH2 2.74Å; T1516-Y1565 HydrophobicContact CG2-CD1 4.33Å; T1516-Y1565 HydrophobicContact CG2-CE1 3.77Å; T1516-Y1565 HydrophobicContact CG2-CE2 4.31Å |
| 1517 | G | 95.4 | Very high | 96.5 | Very high | 14 Ų | 14 | 29 Ų | 29 | 14% | 0.144 | 14% | 0.142 | C | C | . | . | trans | -108 | -174.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1515 F1519 G1520 | L1515-G1517 PolarHBondContact O-N 2.78Å; G1517-F1519 VanDerWaalsContact C-N 3.29Å; G1517-F1519 PolarHBondContact O-N 3.45Å; G1517-G1520 VanDerWaalsContact CA-O 3.27Å; G1517-G1520 WeakPolarHBondContact CA-O 3.41Å; G1517-G1520 PolarHBondContact N-O 3.39Å | ||
| 1518 | P | 93.4 | Very high | 96.3 | Very high | 36 Ų | 36 | 30.3 Ų | 30.3 | 23% | 0.234 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -63.9 | -31.8 | 179.7 | -26.9 | 38 | 0 | 0 | 0 | 114.4 | E1557 R1601 | P1518-E1557 VanDerWaalsContact CD-OE2 3.29Å; P1518-E1557 WeakPolarHBondContact CD-OE2 3.34Å; P1518-R1601 PolarHBondContact O-NH1 3.03Å |
| 1519 | F | 94.6 | Very high | 96 | Very high | 35 Ų | 35 | 38.1 Ų | 38.1 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -129.9 | -40.4 | -178 | -48.1 | -66.6 | 0 | 0 | 0 | 112.4 | G1517 L1559 T1562 R1601 L1602 R1605 T1618 | G1517-F1519 VanDerWaalsContact C-N 3.29Å; G1517-F1519 PolarHBondContact O-N 3.45Å; F1519-L1559 HydrophobicContact CB-CD1 4.48Å; F1519-L1559 HydrophobicContact CB-CD2 4.32Å; F1519-L1559 HydrophobicContact CB-CG 4.29Å; F1519-T1562 PolarHBondContact O-OG1 3.15Å; F1519-R1601 HydrophobicContact CD1-CB 4.3Å; F1519-R1601 HydrophobicContact CE1-CB 4.04Å; F1519-L1602 HydrophobicContact CB-CD2 4.03Å; F1519-L1602 HydrophobicContact CD1-CD2 4.2Å; F1519-R1605 HydrophobicContact CD1-CB 4.38Å; F1519-R1605 HydrophobicContact CE1-CB 4.02Å; F1519-R1605 HydrophobicContact CZ-CB 4.42Å; F1519-T1618 HydrophobicContact CD2-CG2 4.29Å |
| 1520 | G | 96.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -110.2 | 174.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | G1517 W1558 T1562 | G1517-G1520 VanDerWaalsContact CA-O 3.27Å; G1517-G1520 WeakPolarHBondContact CA-O 3.41Å; G1517-G1520 PolarHBondContact N-O 3.39Å; G1520-W1558 CarbonylContact C-O 3.37Å; G1520-W1558 WeakPolarHBondContact CA-O 3.48Å; G1520-T1562 VanDerWaalsContact CA-OG1 3.31Å; G1520-T1562 WeakPolarHBondContact CA-OG1 3.4Å |
| 1521 | M | 98.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.2 | 170.2 | -61.6 | -64.5 | -73.6 | 0 | 0 | 109.4 | P1486 L1489 L1515 T1516 T1523 E1557 W1558 P1561 Y1565 | P1486-M1521 HydrophobicContact CB-CB 4.25Å; L1489-M1521 HydrophobicContact CD1-CE 3.94Å; L1515-M1521 HydrophobicContact CB-CE 3.66Å; L1515-M1521 CarbonylContact O-C 3.49Å; L1515-M1521 WeakPolarHBondContact O-CA 3.25Å; T1516-M1521 HydrophobicContact CG2-CE 3.93Å; T1516-M1521 HydrophobicContact CG2-SD 3.62Å; M1521-T1523 PolarHBondContact O-N 3.44Å; M1521-E1557 CarbonylContact O-C 3.25Å; M1521-E1557 WeakPolarHBondContact O-CA 3.48Å; M1521-W1558 PolarHBondContact N-O 3.44Å; M1521-W1558 PolarHBondContact O-N 2.67Å; M1521-P1561 HydrophobicContact CB-CB 4.18Å; M1521-P1561 HydrophobicContact CG-CB 4.21Å; M1521-Y1565 HydrophobicContact CE-CD2 3.98Å; M1521-Y1565 HydrophobicContact CE-CG 4Å; M1521-Y1565 HydrophobicContact SD-CD1 4.16Å; M1521-Y1565 HydrophobicContact SD-CG 4.03Å |
| 1522 | C | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 131.4 | 168.6 | -64.8 | 0 | 0 | 0 | 0 | 109.6 | P1486 L1515 L1524 R1526 Y1531 | P1486-C1522 WeakPolarHBondContact CD-O 3.1Å; L1515-C1522 HydrophobicContact CD2-CB 4.4Å; L1515-C1522 PolarHBondContact O-N 3.41Å; C1522-L1524 WeakPolarHBondContact CB-O 3.45Å; C1522-L1524 PolarHBondContact O-N 3.32Å; C1522-R1526 PolarHBondContact SG-NH2 2.96Å; C1522-Y1531 HydrophobicContact CB-CE2 4.28Å |
| 1523 | T | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -72.9 | -13.8 | 178.4 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | W1369 R1485 M1521 H1553 Q1554 G1555 P1556 W1558 | W1369-T1523 HydrophobicContact CH2-CG2 3.99Å; R1485-T1523 WeakPolarHBondContact CG-O 3.49Å; R1485-T1523 PolarHBondContact NH1-O 2.93Å; M1521-T1523 PolarHBondContact O-N 3.44Å; T1523-H1553 WeakPolarHBondContact CB-O 3.45Å; T1523-H1553 VanDerWaalsContact OG1-CA 3.27Å; T1523-H1553 WeakPolarHBondContact OG1-CA 3.24Å; T1523-H1553 PolarHBondContact OG1-O 2.84Å; T1523-Q1554 PolarHBondContact OG1-N 3.48Å; T1523-G1555 PolarHBondContact OG1-N 3.01Å; T1523-P1556 PolarHBondContact N-O 3.3Å; T1523-W1558 HydrophobicContact CG2-CB 4.25Å; T1523-W1558 HydrophobicContact CG2-CD2 4.4Å; T1523-W1558 HydrophobicContact CG2-CG 3.7Å |
| 1524 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -142.8 | 141.5 | 174.1 | -178.4 | 61.2 | 0 | 0 | 0 | 108.8 | Q1483 R1485 C1522 D1528 A1530 Y1531 Q1554 | Q1483-L1524 HydrophobicContact CB-CD1 3.88Å; Q1483-L1524 HydrophobicContact CG-CD1 4.26Å; R1485-L1524 HydrophobicContact CG-CD1 4.3Å; C1522-L1524 WeakPolarHBondContact CB-O 3.45Å; C1522-L1524 PolarHBondContact O-N 3.32Å; L1524-D1528 HydrophobicContact CD1-CB 3.92Å; L1524-D1528 HydrophobicContact CD2-CB 3.96Å; L1524-D1528 HydrophobicContact CG-CB 3.81Å; L1524-A1530 HydrophobicContact CD2-CB 3.83Å; L1524-Y1531 WeakPolarHBondContact O-CD2 3.47Å; L1524-Q1554 HydrophobicContact CD2-CB 4.44Å |
| 1525 | S | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -53.2 | 138.2 | 176.1 | -180 | 0 | 0 | 0 | 0 | 112.6 | L1484 D1527 D1528 | L1484-S1525 PolarHBondContact O-N 3.25Å; S1525-D1527 PolarHBondContact O-N 3.09Å; S1525-D1527 VanDerWaalsContact O-N 3.17Å; S1525-D1527 PolarHBondContact OG-N 2.95Å; S1525-D1528 WeakPolarHBondContact O-CB 3.16Å; S1525-D1528 PolarHBondContact O-N 3.36Å | ||
| 1526 | R | 94.1 | Very high | 95.8 | Very high | 76 Ų | 76 | 40.6 Ų | 40.6 | 29% | 0.287 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.7 | 175.1 | -62.8 | -179.5 | -178 | 113 | -0.5 | 113.2 | T1516 C1522 D1528 Y1531 E1557 | T1516-R1526 PolarHBondContact O-NH1 2.94Å; T1516-R1526 PolarHBondContact O-NH2 2.74Å; C1522-R1526 PolarHBondContact SG-NH2 2.96Å; R1526-D1528 VanDerWaalsContact C-N 3.31Å; R1526-Y1531 HydrophobicContact CG-CD2 4.32Å; R1526-Y1531 HydrophobicContact CG-CE1 4.32Å; R1526-Y1531 HydrophobicContact CG-CE2 3.83Å; R1526-E1557 IonicContact NH2-OE1 3.02Å; R1526-E1557 PolarHBondContact NH2-OE1 2.78Å |
| 1527 | D | 92.2 | Very high | 95.7 | Very high | 88 Ų | 88 | 42 Ų | 42 | 47% | 0.471 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.8 | 178.3 | -59.4 | -26.4 | 0 | 0 | 0 | 113.1 | R1514 S1525 | R1514-D1527 WeakPolarHBondContact CD-OD2 3.47Å; R1514-D1527 IonicContact CZ-OD2 2.89Å; R1514-D1527 IonicContact NE-OD2 3.82Å; R1514-D1527 PolarHBondContact NE-OD2 3.4Å; R1514-D1527 IonicContact NH1-OD2 2.75Å; S1525-D1527 PolarHBondContact O-N 3.09Å; S1525-D1527 VanDerWaalsContact O-N 3.17Å; S1525-D1527 PolarHBondContact OG-N 2.95Å |
| 1528 | D | 94 | Very high | 95.7 | Very high | 29 Ų | 29 | 45 Ų | 45 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -80.3 | 137.7 | 179.4 | -163.7 | -66.6 | 0 | 0 | 0 | 110.8 | Q1483 L1524 S1525 R1526 A1530 Y1531 | Q1483-D1528 WeakPolarHBondContact CG-OD2 3.47Å; Q1483-D1528 VanDerWaalsContact NE2-CG 3.3Å; Q1483-D1528 PolarHBondContact NE2-OD1 2.97Å; Q1483-D1528 PolarHBondContact NE2-OD2 3.17Å; L1524-D1528 HydrophobicContact CD1-CB 3.92Å; L1524-D1528 HydrophobicContact CD2-CB 3.96Å; L1524-D1528 HydrophobicContact CG-CB 3.81Å; S1525-D1528 WeakPolarHBondContact O-CB 3.16Å; S1525-D1528 PolarHBondContact O-N 3.36Å; R1526-D1528 VanDerWaalsContact C-N 3.31Å; D1528-A1530 PolarHBondContact O-N 3.35Å; D1528-A1530 VanDerWaalsContact O-N 3.14Å; D1528-A1530 WeakPolarHBondContact OD1-CB 3.31Å; D1528-A1530 PolarHBondContact OD1-N 3.49Å; D1528-Y1531 VanDerWaalsContact O-CB 3.24Å; D1528-Y1531 WeakPolarHBondContact O-CB 3.45Å; D1528-Y1531 PolarHBondContact O-N 3.47Å |
| 1529 | L | 92.1 | Very high | 95.7 | Very high | 164 Ų | 164 | 45.3 Ų | 45.3 | 86% | 0.859 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.1 | 180 | -64.7 | 175.4 | 0 | 0 | 0 | 113.1 | Y1531 R1532 | L1529-Y1531 VanDerWaalsContact C-N 3.32Å; L1529-R1532 PolarHBondContact O-NH1 2.88Å |
| 1530 | A | 93.8 | Very high | 95.8 | Very high | 27 Ų | 27 | 46.1 Ų | 46.1 | 22% | 0.223 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -1.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1524 D1528 R1532 | L1524-A1530 HydrophobicContact CD2-CB 3.83Å; D1528-A1530 PolarHBondContact O-N 3.35Å; D1528-A1530 VanDerWaalsContact O-N 3.14Å; D1528-A1530 WeakPolarHBondContact OD1-CB 3.31Å; D1528-A1530 PolarHBondContact OD1-N 3.49Å; A1530-R1532 PolarHBondContact O-N 2.85Å |
| 1531 | Y | 96.8 | Very high | 95.8 | Very high | 44 Ų | 44 | 47.7 Ų | 47.7 | 17% | 0.173 | 24% | 0.241 | C | C | . | . | trans | -61.7 | 128.5 | -179.5 | 178.9 | -95.2 | 0 | 0 | 0 | 112.7 | C1522 L1524 R1526 D1528 L1529 Q1554 G1555 | C1522-Y1531 HydrophobicContact CB-CE2 4.28Å; L1524-Y1531 WeakPolarHBondContact O-CD2 3.47Å; R1526-Y1531 HydrophobicContact CG-CD2 4.32Å; R1526-Y1531 HydrophobicContact CG-CE1 4.32Å; R1526-Y1531 HydrophobicContact CG-CE2 3.83Å; D1528-Y1531 VanDerWaalsContact O-CB 3.24Å; D1528-Y1531 WeakPolarHBondContact O-CB 3.45Å; D1528-Y1531 PolarHBondContact O-N 3.47Å; L1529-Y1531 VanDerWaalsContact C-N 3.32Å; Y1531-Q1554 CarbonylContact C-O 3.56Å; Y1531-Q1554 VanDerWaalsContact CA-O 3.27Å; Y1531-Q1554 WeakPolarHBondContact CA-O 3.27Å; Y1531-G1555 WeakPolarHBondContact CE2-O 3.43Å | ||
| 1532 | R | 97.7 | Very high | 95.7 | Very high | 90 Ų | 90 | 52.1 Ų | 52.1 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | trans | -146 | 88.2 | 178.9 | -67 | -61.9 | -178 | -82.2 | -2.5 | 109.3 | L1529 A1530 Y1534 S1545 I1546 N1551 Q1554 P1556 | L1529-R1532 PolarHBondContact O-NH1 2.88Å; A1530-R1532 PolarHBondContact O-N 2.85Å; R1532-Y1534 VanDerWaalsContact C-N 3.31Å; R1532-Y1534 PolarHBondContact O-N 2.95Å; R1532-S1545 PolarHBondContact NE-OG 2.93Å; R1532-S1545 PolarHBondContact NH2-OG 3.11Å; R1532-I1546 HydrophobicContact CB-CG2 4.12Å; R1532-I1546 HydrophobicContact CG-CG2 3.88Å; R1532-N1551 HydrophobicContact CB-CB 3.45Å; R1532-N1551 VanDerWaalsContact CB-CB 3.45Å; R1532-N1551 HydrophobicContact CG-CB 4.27Å; R1532-N1551 PolarHBondContact O-ND2 2.99Å; R1532-Q1554 PolarHBondContact N-O 2.65Å; R1532-P1556 WeakPolarHBondContact O-CD 3.3Å | ||
| 1533 | G | 96.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | trans | -76.2 | 1.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | N1619 A1620 | G1533-N1619 CarbonylContact O-C 3.43Å; G1533-N1619 WeakPolarHBondContact O-CA 3.32Å; G1533-A1620 PolarHBondContact O-N 3.32Å | ||
| 1534 | Y | 97.4 | Very high | 95.6 | Very high | 131 Ų | 131 | 59.2 Ų | 59.2 | 51% | 0.514 | 31% | 0.306 | S | S | . | . | trans | -114.5 | 101.9 | -177.1 | -73.1 | -94.5 | 0 | 0 | 0 | 111.1 | R1532 N1551 N1619 A1620 Q1623 | R1532-Y1534 VanDerWaalsContact C-N 3.31Å; R1532-Y1534 PolarHBondContact O-N 2.95Å; Y1534-N1551 VanDerWaalsContact C-ND2 3.27Å; Y1534-N1551 PolarHBondContact O-ND2 3.37Å; Y1534-N1619 WeakPolarHBondContact CA-OD1 3.3Å; Y1534-N1619 HydrophobicContact CD1-CB 4.14Å; Y1534-N1619 HydrophobicContact CE1-CB 4.5Å; Y1534-A1620 HydrophobicContact CD2-CB 4.4Å; Y1534-A1620 HydrophobicContact CE2-CB 3.93Å; Y1534-Q1623 VanDerWaalsContact CE1-OE1 3.24Å | ||
| 1535 | Y | 97.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 60.3 Ų | 60.3 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | trans | -84.8 | 123 | 177.4 | 179.8 | -114.2 | 0 | 0 | 0 | 110.6 | N1537 G1549 Y1552 L1617 N1619 D1627 | Y1535-N1537 HydrophobicContact CE1-CB 4.23Å; Y1535-N1537 HydrophobicContact CE2-CB 4.36Å; Y1535-N1537 WeakPolarHBondContact OH-CB 3.28Å; Y1535-N1537 VanDerWaalsContact OH-CG 3.31Å; Y1535-N1537 PolarHBondContact OH-OD1 3.37Å; Y1535-G1549 WeakPolarHBondContact CE2-O 3.42Å; Y1535-Y1552 HydrophobicContact CD1-CD2 4.2Å; Y1535-Y1552 AromaticContact CD2-CD2 3.86Å; Y1535-Y1552 HydrophobicContact CD2-CD2 3.86Å; Y1535-Y1552 HydrophobicContact CD2-CG 4.44Å; Y1535-Y1552 AromaticContact CE1-CD2 3.87Å; Y1535-Y1552 HydrophobicContact CE1-CD2 3.87Å; Y1535-Y1552 HydrophobicContact CE1-CE2 4.08Å; Y1535-Y1552 AromaticContact CE2-CD2 3.48Å; Y1535-Y1552 HydrophobicContact CE2-CD2 3.48Å; Y1535-Y1552 VanDerWaalsContact CE2-CD2 3.48Å; Y1535-Y1552 HydrophobicContact CE2-CE2 4.41Å; Y1535-Y1552 AromaticContact CE2-CG 3.97Å; Y1535-Y1552 HydrophobicContact CE2-CG 3.97Å; Y1535-Y1552 HydrophobicContact CG-CD2 4.2Å; Y1535-Y1552 AromaticContact CZ-CD2 3.5Å; Y1535-Y1552 AromaticContact CZ-CE2 3.99Å; Y1535-L1617 HydrophobicContact CD1-CD1 4.5Å; Y1535-N1619 PolarHBondContact N-OD1 3.47Å; Y1535-D1627 HydrophobicContact CD1-CB 4.02Å; Y1535-D1627 HydrophobicContact CE1-CB 3.66Å | ||
| 1536 | D | 95.9 | Very high | 95.5 | Very high | 51 Ų | 51 | 62.1 Ų | 62.1 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | trans | -139.3 | 103.1 | 170.4 | -179 | 0.6 | 0 | 0 | 0 | 108.3 | S1538 N1539 G1549 K1626 D1627 | D1536-S1538 PolarHBondContact O-N 2.85Å; D1536-S1538 WeakPolarHBondContact OD1-CB 3.34Å; D1536-S1538 PolarHBondContact OD1-N 3.4Å; D1536-S1538 PolarHBondContact OD1-OG 3.49Å; D1536-N1539 HydrophobicContact CB-CB 4.12Å; D1536-N1539 WeakPolarHBondContact O-CB 3.34Å; D1536-N1539 PolarHBondContact O-N 3.3Å; D1536-G1549 PolarHBondContact O-N 2.83Å; D1536-K1626 IonicContact OD1-NZ 3.17Å; D1536-K1626 PolarHBondContact OD1-NZ 3.38Å; D1536-K1626 IonicContact OD2-NZ 3.41Å; D1536-D1627 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 1537 | N | 93.9 | Very high | 95.6 | Very high | 68 Ų | 68 | 58.5 Ų | 58.5 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -21.3 | -176.3 | -161.7 | 52.7 | 0 | 0 | 0 | 111.9 | K1372 Y1535 R1548 D1627 | K1372-N1537 PolarHBondContact NZ-OD1 3.18Å; K1372-N1537 VanDerWaalsContact NZ-OD1 3.12Å; Y1535-N1537 HydrophobicContact CE1-CB 4.23Å; Y1535-N1537 HydrophobicContact CE2-CB 4.36Å; Y1535-N1537 WeakPolarHBondContact OH-CB 3.28Å; Y1535-N1537 VanDerWaalsContact OH-CG 3.31Å; Y1535-N1537 PolarHBondContact OH-OD1 3.37Å; N1537-R1548 PolarHBondContact OD1-O 3.07Å; N1537-R1548 VanDerWaalsContact OD1-O 3.1Å; N1537-D1627 HydrophobicContact CB-CB 4.41Å; N1537-D1627 PolarHBondContact N-OD2 3.49Å |
| 1538 | S | 94.9 | Very high | 95.8 | Very high | 77 Ų | 77 | 59.1 Ų | 59.1 | 54% | 0.538 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -11.9 | 179.4 | 71.1 | 0 | 0 | 0 | 0 | 114 | D1536 D1540 K1626 | D1536-S1538 PolarHBondContact O-N 2.85Å; D1536-S1538 WeakPolarHBondContact OD1-CB 3.34Å; D1536-S1538 PolarHBondContact OD1-N 3.4Å; D1536-S1538 PolarHBondContact OD1-OG 3.49Å; S1538-D1540 PolarHBondContact O-N 3.47Å; S1538-D1540 VanDerWaalsContact O-N 3.13Å; S1538-K1626 PolarHBondContact OG-NZ 2.87Å |
| 1539 | N | 94.4 | Very high | 95.9 | Very high | 43 Ų | 43 | 57.8 Ų | 57.8 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | trans | -70.9 | 103.7 | -180 | 179.2 | -29.4 | 0 | 0 | 0 | 111.1 | D1536 S1541 A1547 R1548 | D1536-N1539 HydrophobicContact CB-CB 4.12Å; D1536-N1539 WeakPolarHBondContact O-CB 3.34Å; D1536-N1539 PolarHBondContact O-N 3.3Å; N1539-S1541 WeakPolarHBondContact OD1-CB 3.42Å; N1539-S1541 PolarHBondContact OD1-N 3.15Å; N1539-S1541 PolarHBondContact OD1-OG 2.75Å; N1539-A1547 CarbonylContact O-C 3.53Å; N1539-A1547 VanDerWaalsContact O-CA 3.28Å; N1539-A1547 WeakPolarHBondContact O-CA 3.37Å; N1539-R1548 PolarHBondContact O-N 3.5Å | ||
| 1540 | D | 95.4 | Very high | 96.2 | Very high | 52 Ų | 52 | 50.6 Ų | 50.6 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | trans | -107.3 | 55.9 | 172.6 | -157.4 | 10.9 | 0 | 0 | 0 | 111.7 | S1376 K1378 S1538 R1548 | S1376-D1540 VanDerWaalsContact CB-OD1 3.31Å; S1376-D1540 WeakPolarHBondContact CB-OD1 3.47Å; S1376-D1540 PolarHBondContact OG-OD1 3.14Å; K1378-D1540 WeakPolarHBondContact CD-O 3.39Å; K1378-D1540 WeakPolarHBondContact CE-O 3.42Å; K1378-D1540 PolarHBondContact NZ-O 3.3Å; S1538-D1540 PolarHBondContact O-N 3.47Å; S1538-D1540 VanDerWaalsContact O-N 3.13Å; D1540-R1548 IonicContact OD1-NE 2.67Å; D1540-R1548 IonicContact OD2-CZ 3.93Å; D1540-R1548 IonicContact OD2-NE 3.09Å; D1540-R1548 PolarHBondContact OD2-NE 3.12Å; D1540-R1548 IonicContact OD2-NH2 3.36Å; D1540-R1548 PolarHBondContact OD2-NH2 3.36Å | ||
| 1541 | S | 95.9 | Very high | 96.4 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | trans | -76.8 | -178.7 | 175.3 | 66.6 | 0 | 0 | 0 | 0 | 112.4 | N1539 D1543 | N1539-S1541 WeakPolarHBondContact OD1-CB 3.42Å; N1539-S1541 PolarHBondContact OD1-N 3.15Å; N1539-S1541 PolarHBondContact OD1-OG 2.75Å; S1541-D1543 VanDerWaalsContact C-N 3.26Å; S1541-D1543 PolarHBondContact OG-N 3.15Å | ||
| 1542 | C | 96.8 | Very high | 96.4 | Very high | 95 Ų | 95 | 48.8 Ų | 48.8 | 64% | 0.642 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -84.1 | -0.2 | 171.8 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | K1378 F1544 | K1378-C1542 WeakPolarHBondContact CE-SG 3.37Å; C1542-F1544 PolarHBondContact O-N 2.88Å |
| 1543 | D | 96.8 | Very high | 96.4 | Very high | 66 Ų | 66 | 44.5 Ų | 44.5 | 35% | 0.353 | 23% | 0.231 | S | C | . | . | trans | -80.8 | 106.1 | 180 | -178.1 | -12.4 | 0 | 0 | 0 | 110 | S1541 S1545 I1546 A1547 | S1541-D1543 VanDerWaalsContact C-N 3.26Å; S1541-D1543 PolarHBondContact OG-N 3.15Å; D1543-S1545 PolarHBondContact O-N 3.39Å; D1543-S1545 WeakPolarHBondContact OD1-CB 3.32Å; D1543-S1545 PolarHBondContact OD1-N 3.45Å; D1543-S1545 PolarHBondContact OD1-OG 3.5Å; D1543-S1545 PolarHBondContact OD2-OG 3Å; D1543-I1546 HydrophobicContact CB-CD1 4.1Å; D1543-I1546 HydrophobicContact CB-CG1 3.75Å; D1543-I1546 PolarHBondContact O-N 2.85Å; D1543-A1547 WeakPolarHBondContact O-CB 3.4Å; D1543-A1547 PolarHBondContact O-N 3.27Å | ||
| 1544 | F | 96.9 | Very high | 96.4 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -36.5 | 177.8 | -176.5 | -80.5 | 0 | 0 | 0 | 113 | A1379 G1380 N1381 I1384 C1542 F1550 | A1379-F1544 WeakPolarHBondContact O-CD2 2.82Å; G1380-F1544 WeakPolarHBondContact O-CE2 3.33Å; N1381-F1544 VanDerWaalsContact CA-CE2 3.43Å; N1381-F1544 HydrophobicContact CB-CD1 4.33Å; N1381-F1544 HydrophobicContact CB-CD2 3.55Å; N1381-F1544 HydrophobicContact CB-CE1 4.21Å; N1381-F1544 HydrophobicContact CB-CE2 3.42Å; N1381-F1544 VanDerWaalsContact CB-CE2 3.42Å; N1381-F1544 HydrophobicContact CB-CG 4.01Å; N1381-F1544 HydrophobicContact CB-CZ 3.76Å; N1381-F1544 PolarHBondContact ND2-O 3.46Å; I1384-F1544 HydrophobicContact CD1-CE2 3.97Å; I1384-F1544 HydrophobicContact CD1-CZ 4.05Å; I1384-F1544 HydrophobicContact CG2-CZ 4.36Å; C1542-F1544 PolarHBondContact O-N 2.88Å; F1544-F1550 HydrophobicContact CD1-CD1 4.46Å; F1544-F1550 HydrophobicContact CD1-CE1 4.13Å; F1544-F1550 HydrophobicContact CD1-CZ 4.5Å; F1544-F1550 HydrophobicContact CE1-CD1 4.31Å; F1544-F1550 AromaticContact CE1-CE1 3.58Å; F1544-F1550 HydrophobicContact CE1-CE1 3.58Å; F1544-F1550 HydrophobicContact CE1-CE2 4.41Å; F1544-F1550 AromaticContact CE1-CZ 3.63Å; F1544-F1550 HydrophobicContact CE1-CZ 3.63Å; F1544-F1550 HydrophobicContact CZ-CE1 4.44Å; F1544-F1550 HydrophobicContact CZ-CZ 4.04Å; F1544-F1550 WeakPolarHBondContact O-CD1 3.23Å; F1544-F1550 WeakPolarHBondContact O-CG 3.22Å |
| 1545 | S | 95.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -17.2 | -170.3 | 69.1 | 0 | 0 | 0 | 0 | 114.8 | R1532 D1543 N1551 | R1532-S1545 PolarHBondContact NE-OG 2.93Å; R1532-S1545 PolarHBondContact NH2-OG 3.11Å; D1543-S1545 PolarHBondContact O-N 3.39Å; D1543-S1545 WeakPolarHBondContact OD1-CB 3.32Å; D1543-S1545 PolarHBondContact OD1-N 3.45Å; D1543-S1545 PolarHBondContact OD1-OG 3.5Å; D1543-S1545 PolarHBondContact OD2-OG 3Å; S1545-N1551 WeakPolarHBondContact O-CB 3.25Å; S1545-N1551 PolarHBondContact O-N 3.24Å |
| 1546 | I | 96.4 | Very high | 96.4 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 19% | 0.19 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132 | -15.5 | -176.8 | 64.2 | 178.6 | 0 | 0 | 0 | 113.5 | R1532 D1543 R1548 G1549 N1551 | R1532-I1546 HydrophobicContact CB-CG2 4.12Å; R1532-I1546 HydrophobicContact CG-CG2 3.88Å; D1543-I1546 HydrophobicContact CB-CD1 4.1Å; D1543-I1546 HydrophobicContact CB-CG1 3.75Å; D1543-I1546 PolarHBondContact O-N 2.85Å; I1546-R1548 PolarHBondContact O-N 3.39Å; I1546-G1549 WeakPolarHBondContact O-CA 3.22Å; I1546-G1549 PolarHBondContact O-N 3.44Å; I1546-N1551 HydrophobicContact CG2-CB 4.44Å |
| 1547 | A | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -59.5 | 131.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1379 N1381 N1539 D1543 G1549 F1550 | A1379-A1547 HydrophobicContact CB-CB 3.37Å; N1381-A1547 PolarHBondContact ND2-O 3.5Å; N1381-A1547 VanDerWaalsContact ND2-O 3.12Å; N1539-A1547 CarbonylContact O-C 3.53Å; N1539-A1547 VanDerWaalsContact O-CA 3.28Å; N1539-A1547 WeakPolarHBondContact O-CA 3.37Å; D1543-A1547 WeakPolarHBondContact O-CB 3.4Å; D1543-A1547 PolarHBondContact O-N 3.27Å; A1547-G1549 PolarHBondContact O-N 3.22Å; A1547-F1550 WeakPolarHBondContact O-CB 3.41Å; A1547-F1550 PolarHBondContact O-N 2.72Å |
| 1548 | R | 96.2 | Very high | 96.7 | Very high | 102 Ų | 102 | 32.2 Ų | 32.2 | 39% | 0.385 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | 52.6 | 35.2 | -171 | -59.8 | -70.7 | -171.8 | 141.2 | -0.4 | 112.7 | K1372 S1375 N1537 N1539 D1540 I1546 F1550 | K1372-R1548 WeakPolarHBondContact CE-O 3.37Å; K1372-R1548 PolarHBondContact NZ-O 3.43Å; S1375-R1548 WeakPolarHBondContact OG-CB 3.31Å; N1537-R1548 PolarHBondContact OD1-O 3.07Å; N1537-R1548 VanDerWaalsContact OD1-O 3.1Å; N1539-R1548 PolarHBondContact O-N 3.5Å; D1540-R1548 IonicContact OD1-NE 2.67Å; D1540-R1548 IonicContact OD2-CZ 3.93Å; D1540-R1548 IonicContact OD2-NE 3.09Å; D1540-R1548 PolarHBondContact OD2-NE 3.12Å; D1540-R1548 IonicContact OD2-NH2 3.36Å; D1540-R1548 PolarHBondContact OD2-NH2 3.36Å; I1546-R1548 PolarHBondContact O-N 3.39Å; R1548-F1550 PolarHBondContact O-N 2.77Å |
| 1549 | G | 96.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | 65 | 34.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1372 Y1535 D1536 I1546 A1547 N1551 Y1552 | K1372-G1549 VanDerWaalsContact CE-O 3.26Å; K1372-G1549 WeakPolarHBondContact CE-O 3.45Å; Y1535-G1549 WeakPolarHBondContact CE2-O 3.42Å; D1536-G1549 PolarHBondContact O-N 2.83Å; I1546-G1549 WeakPolarHBondContact O-CA 3.22Å; I1546-G1549 PolarHBondContact O-N 3.44Å; A1547-G1549 PolarHBondContact O-N 3.22Å; G1549-N1551 PolarHBondContact O-N 3.07Å; G1549-Y1552 PolarHBondContact O-N 3.22Å |
| 1550 | F | 97.5 | Very high | 97 | Very high | 14 Ų | 14 | 26.6 Ų | 26.6 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -53.1 | -24.8 | 178.1 | -167.8 | -100.9 | 0 | 0 | 0 | 113.2 | N1381 I1384 A1386 F1544 A1547 R1548 Y1552 | N1381-F1550 HydrophobicContact CB-CD2 3.96Å; N1381-F1550 HydrophobicContact CB-CE2 3.97Å; I1384-F1550 WeakPolarHBondContact O-CE2 3.49Å; A1386-F1550 VanDerWaalsContact CA-CZ 3.47Å; A1386-F1550 HydrophobicContact CB-CD1 4.16Å; A1386-F1550 HydrophobicContact CB-CD2 4.29Å; A1386-F1550 HydrophobicContact CB-CE1 3.86Å; A1386-F1550 HydrophobicContact CB-CE2 4.01Å; A1386-F1550 HydrophobicContact CB-CG 4.38Å; A1386-F1550 HydrophobicContact CB-CZ 3.79Å; A1386-F1550 WeakPolarHBondContact CB-O 3.48Å; F1544-F1550 HydrophobicContact CD1-CD1 4.46Å; F1544-F1550 HydrophobicContact CD1-CE1 4.13Å; F1544-F1550 HydrophobicContact CD1-CZ 4.5Å; F1544-F1550 HydrophobicContact CE1-CD1 4.31Å; F1544-F1550 AromaticContact CE1-CE1 3.58Å; F1544-F1550 HydrophobicContact CE1-CE1 3.58Å; F1544-F1550 HydrophobicContact CE1-CE2 4.41Å; F1544-F1550 AromaticContact CE1-CZ 3.63Å; F1544-F1550 HydrophobicContact CE1-CZ 3.63Å; F1544-F1550 HydrophobicContact CZ-CE1 4.44Å; F1544-F1550 HydrophobicContact CZ-CZ 4.04Å; F1544-F1550 WeakPolarHBondContact O-CD1 3.23Å; F1544-F1550 WeakPolarHBondContact O-CG 3.22Å; A1547-F1550 WeakPolarHBondContact O-CB 3.41Å; A1547-F1550 PolarHBondContact O-N 2.72Å; R1548-F1550 PolarHBondContact O-N 2.77Å; F1550-Y1552 VanDerWaalsContact C-N 3.29Å; F1550-Y1552 PolarHBondContact O-N 2.77Å |
| 1551 | N | 97.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -81.4 | 11.5 | 177.3 | 65.2 | -38.4 | 0 | 0 | 0 | 116.1 | R1532 Y1534 S1545 I1546 G1549 H1553 Q1554 P1556 | R1532-N1551 HydrophobicContact CB-CB 3.45Å; R1532-N1551 VanDerWaalsContact CB-CB 3.45Å; R1532-N1551 HydrophobicContact CG-CB 4.27Å; R1532-N1551 PolarHBondContact O-ND2 2.99Å; Y1534-N1551 VanDerWaalsContact C-ND2 3.27Å; Y1534-N1551 PolarHBondContact O-ND2 3.37Å; S1545-N1551 WeakPolarHBondContact O-CB 3.25Å; S1545-N1551 PolarHBondContact O-N 3.24Å; I1546-N1551 HydrophobicContact CG2-CB 4.44Å; G1549-N1551 PolarHBondContact O-N 3.07Å; N1551-H1553 PolarHBondContact O-N 2.9Å; N1551-Q1554 HydrophobicContact CB-CB 4.04Å; N1551-Q1554 PolarHBondContact O-N 2.79Å; N1551-P1556 WeakPolarHBondContact O-CD 3.39Å; N1551-P1556 WeakPolarHBondContact O-CG 3.16Å |
| 1552 | Y | 97.2 | Very high | 97.3 | Very high | 31 Ų | 31 | 22.9 Ų | 22.9 | 12% | 0.122 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -47.3 | -36.1 | -179.2 | -170.1 | -130.4 | 0 | 0 | 0 | 114.1 | K1372 Y1535 G1549 F1550 W1558 E1616 L1617 | K1372-Y1552 HydrophobicContact CB-CD1 4.23Å; Y1535-Y1552 HydrophobicContact CD1-CD2 4.2Å; Y1535-Y1552 AromaticContact CD2-CD2 3.86Å; Y1535-Y1552 HydrophobicContact CD2-CD2 3.86Å; Y1535-Y1552 HydrophobicContact CD2-CG 4.44Å; Y1535-Y1552 AromaticContact CE1-CD2 3.87Å; Y1535-Y1552 HydrophobicContact CE1-CD2 3.87Å; Y1535-Y1552 HydrophobicContact CE1-CE2 4.08Å; Y1535-Y1552 AromaticContact CE2-CD2 3.48Å; Y1535-Y1552 HydrophobicContact CE2-CD2 3.48Å; Y1535-Y1552 VanDerWaalsContact CE2-CD2 3.48Å; Y1535-Y1552 HydrophobicContact CE2-CE2 4.41Å; Y1535-Y1552 AromaticContact CE2-CG 3.97Å; Y1535-Y1552 HydrophobicContact CE2-CG 3.97Å; Y1535-Y1552 HydrophobicContact CG-CD2 4.2Å; Y1535-Y1552 AromaticContact CZ-CD2 3.5Å; Y1535-Y1552 AromaticContact CZ-CE2 3.99Å; G1549-Y1552 PolarHBondContact O-N 3.22Å; F1550-Y1552 VanDerWaalsContact C-N 3.29Å; F1550-Y1552 PolarHBondContact O-N 2.77Å; Y1552-W1558 AromaticContact CD1-CZ2 3.95Å; Y1552-W1558 HydrophobicContact CD1-CZ2 3.95Å; Y1552-W1558 HydrophobicContact CD2-CZ2 4.1Å; Y1552-W1558 AromaticContact CE1-CH2 3.68Å; Y1552-W1558 HydrophobicContact CE1-CH2 3.68Å; Y1552-W1558 AromaticContact CE1-CZ2 3.46Å; Y1552-W1558 HydrophobicContact CE1-CZ2 3.46Å; Y1552-W1558 VanDerWaalsContact CE1-CZ2 3.46Å; Y1552-W1558 HydrophobicContact CE2-CH2 4.26Å; Y1552-W1558 AromaticContact CE2-CZ2 3.64Å; Y1552-W1558 HydrophobicContact CE2-CZ2 3.64Å; Y1552-W1558 HydrophobicContact CG-CZ2 4.24Å; Y1552-W1558 AromaticContact CZ-CH2 3.51Å; Y1552-W1558 AromaticContact CZ-CZ2 3.29Å; Y1552-W1558 PolarHBondContact O-NE1 2.82Å; Y1552-W1558 VanDerWaalsContact O-NE1 3.09Å; Y1552-W1558 WeakPolarHBondContact OH-CH2 3.47Å; Y1552-E1616 PolarHBondContact OH-OE1 3.03Å; Y1552-E1616 PolarHBondContact OH-OE2 3.25Å; Y1552-L1617 HydrophobicContact CD2-CD2 3.86Å; Y1552-L1617 HydrophobicContact CE2-CD2 3.49Å; Y1552-L1617 VanDerWaalsContact CE2-CD2 3.49Å |
| 1553 | H | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -116.1 | 20.4 | 172.6 | -51.1 | -69.1 | 0 | 0 | 0 | 114.1 | W1369 M1370 D1371 T1387 R1485 T1523 N1551 W1558 | W1369-H1553 AromaticContact CE3-CE1 3.95Å; W1369-H1553 AromaticContact CZ3-CE1 3.88Å; W1369-H1553 AromaticContact CZ3-ND1 3.65Å; W1369-H1553 PolarHBondContact O-CE1 2.75Å; M1370-H1553 WeakPolarHBondContact CA-CD2 3.42Å; M1370-H1553 WeakPolarHBondContact CA-NE2 3.35Å; M1370-H1553 HydrophobicContact CB-CB 4.03Å; M1370-H1553 HydrophobicContact CG-CB 4.12Å; M1370-H1553 HydrophobicContact SD-CB 4.32Å; D1371-H1553 PolarHBondContact N-NE2 3.42Å; D1371-H1553 VanDerWaalsContact N-NE2 3.11Å; D1371-H1553 IonicContact OD1-NE2 2.8Å; T1387-H1553 HydrophobicContact CG2-CB 4.43Å; R1485-H1553 PolarHBondContact NH1-O 3.21Å; T1523-H1553 WeakPolarHBondContact CB-O 3.45Å; T1523-H1553 VanDerWaalsContact OG1-CA 3.27Å; T1523-H1553 WeakPolarHBondContact OG1-CA 3.24Å; T1523-H1553 PolarHBondContact OG1-O 2.84Å; N1551-H1553 PolarHBondContact O-N 2.9Å; H1553-W1558 AromaticContact CE1-CH2 3.59Å; H1553-W1558 AromaticContact CE1-CZ2 3.27Å; H1553-W1558 WeakPolarHBondContact CE1-CZ2 3.46Å; H1553-W1558 AromaticContact ND1-CE2 3.88Å; H1553-W1558 AromaticContact ND1-CZ2 3.54Å |
| 1554 | Q | 97.1 | Very high | 97.4 | Very high | 16 Ų | 16 | 15.5 Ų | 15.5 | 8% | 0.075 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -110.3 | 25.6 | 179.4 | -58.4 | -69.6 | 69.3 | 0 | 0 | 113.2 | R1485 T1523 L1524 Y1531 R1532 N1551 | R1485-Q1554 VanDerWaalsContact NH1-OE1 3.14Å; T1523-Q1554 PolarHBondContact OG1-N 3.48Å; L1524-Q1554 HydrophobicContact CD2-CB 4.44Å; Y1531-Q1554 CarbonylContact C-O 3.56Å; Y1531-Q1554 VanDerWaalsContact CA-O 3.27Å; Y1531-Q1554 WeakPolarHBondContact CA-O 3.27Å; R1532-Q1554 PolarHBondContact N-O 2.65Å; N1551-Q1554 HydrophobicContact CB-CB 4.04Å; N1551-Q1554 PolarHBondContact O-N 2.79Å |
| 1555 | G | 97 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 5% | 0.053 | C | C | . | . | S | Bend | trans | 152.8 | -32.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | T1523 Y1531 | T1523-G1555 PolarHBondContact OG1-N 3.01Å; Y1531-G1555 WeakPolarHBondContact CE2-O 3.43Å |
| 1556 | P | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | trans | -52.8 | 151.3 | 177.5 | -25.9 | 35.2 | 0 | 0 | 0 | 111.7 | T1523 R1532 N1551 W1558 L1617 | T1523-P1556 PolarHBondContact N-O 3.3Å; R1532-P1556 WeakPolarHBondContact O-CD 3.3Å; N1551-P1556 WeakPolarHBondContact O-CD 3.39Å; N1551-P1556 WeakPolarHBondContact O-CG 3.16Å; P1556-W1558 PolarHBondContact O-N 3.45Å; P1556-L1617 HydrophobicContact CB-CD1 4.21Å; P1556-L1617 HydrophobicContact CB-CD2 4.44Å | ||
| 1557 | E | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 103.6 | -172.8 | -70.8 | 173 | -174.4 | 0 | 0 | 109.7 | P1518 M1521 R1526 L1617 T1618 N1621 G1622 | P1518-E1557 VanDerWaalsContact CD-OE2 3.29Å; P1518-E1557 WeakPolarHBondContact CD-OE2 3.34Å; M1521-E1557 CarbonylContact O-C 3.25Å; M1521-E1557 WeakPolarHBondContact O-CA 3.48Å; R1526-E1557 IonicContact NH2-OE1 3.02Å; R1526-E1557 PolarHBondContact NH2-OE1 2.78Å; E1557-L1617 CarbonylContact O-C 3.56Å; E1557-L1617 WeakPolarHBondContact O-CA 3.33Å; E1557-L1617 WeakPolarHBondContact O-CB 3.2Å; E1557-T1618 WeakPolarHBondContact CB-OG1 3.44Å; E1557-T1618 PolarHBondContact N-O 3.45Å; E1557-T1618 PolarHBondContact O-N 3.18Å; E1557-T1618 PolarHBondContact OE2-OG1 2.99Å; E1557-N1621 PolarHBondContact OE1-N 2.78Å; E1557-G1622 PolarHBondContact OE2-N 3.33Å |
| 1558 | W | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.008 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 139.3 | -179.8 | -77.6 | 57.3 | 0 | 0 | 0 | 111.2 | W1369 G1520 M1521 T1523 Y1552 H1553 P1556 W1560 P1561 E1616 L1617 W1634 | W1369-W1558 HydrophobicContact CE3-CE3 4.39Å; W1369-W1558 HydrophobicContact CE3-CH2 4.44Å; W1369-W1558 HydrophobicContact CE3-CZ3 4.14Å; W1369-W1558 HydrophobicContact CH2-CD2 4.33Å; W1369-W1558 HydrophobicContact CH2-CE3 4.38Å; W1369-W1558 AromaticContact CZ3-CD2 3.79Å; W1369-W1558 HydrophobicContact CZ3-CD2 3.79Å; W1369-W1558 AromaticContact CZ3-CE3 3.6Å; W1369-W1558 HydrophobicContact CZ3-CE3 3.6Å; W1369-W1558 HydrophobicContact CZ3-CG 4.43Å; W1369-W1558 HydrophobicContact CZ3-CH2 4.1Å; W1369-W1558 HydrophobicContact CZ3-CZ2 4.26Å; W1369-W1558 AromaticContact CZ3-CZ3 3.75Å; W1369-W1558 HydrophobicContact CZ3-CZ3 3.75Å; G1520-W1558 CarbonylContact C-O 3.37Å; G1520-W1558 WeakPolarHBondContact CA-O 3.48Å; M1521-W1558 PolarHBondContact N-O 3.44Å; M1521-W1558 PolarHBondContact O-N 2.67Å; T1523-W1558 HydrophobicContact CG2-CB 4.25Å; T1523-W1558 HydrophobicContact CG2-CD2 4.4Å; T1523-W1558 HydrophobicContact CG2-CG 3.7Å; Y1552-W1558 AromaticContact CD1-CZ2 3.95Å; Y1552-W1558 HydrophobicContact CD1-CZ2 3.95Å; Y1552-W1558 HydrophobicContact CD2-CZ2 4.1Å; Y1552-W1558 AromaticContact CE1-CH2 3.68Å; Y1552-W1558 HydrophobicContact CE1-CH2 3.68Å; Y1552-W1558 AromaticContact CE1-CZ2 3.46Å; Y1552-W1558 HydrophobicContact CE1-CZ2 3.46Å; Y1552-W1558 VanDerWaalsContact CE1-CZ2 3.46Å; Y1552-W1558 HydrophobicContact CE2-CH2 4.26Å; Y1552-W1558 AromaticContact CE2-CZ2 3.64Å; Y1552-W1558 HydrophobicContact CE2-CZ2 3.64Å; Y1552-W1558 HydrophobicContact CG-CZ2 4.24Å; Y1552-W1558 AromaticContact CZ-CH2 3.51Å; Y1552-W1558 AromaticContact CZ-CZ2 3.29Å; Y1552-W1558 PolarHBondContact O-NE1 2.82Å; Y1552-W1558 VanDerWaalsContact O-NE1 3.09Å; Y1552-W1558 WeakPolarHBondContact OH-CH2 3.47Å; H1553-W1558 AromaticContact CE1-CH2 3.59Å; H1553-W1558 AromaticContact CE1-CZ2 3.27Å; H1553-W1558 WeakPolarHBondContact CE1-CZ2 3.46Å; H1553-W1558 AromaticContact ND1-CE2 3.88Å; H1553-W1558 AromaticContact ND1-CZ2 3.54Å; P1556-W1558 PolarHBondContact O-N 3.45Å; W1558-W1560 AromaticContact CE3-CD1 3.68Å; W1558-W1560 AromaticContact CE3-NE1 3.5Å; W1558-W1560 AromaticContact CZ3-NE1 4Å; W1558-P1561 HydrophobicContact CB-CG 4.12Å; W1558-P1561 WeakPolarHBondContact O-CD 3.4Å; W1558-E1616 HydrophobicContact CE3-CG 4.07Å; W1558-E1616 HydrophobicContact CH2-CG 4.27Å; W1558-E1616 HydrophobicContact CZ3-CG 3.9Å; W1558-L1617 HydrophobicContact CD2-CB 4.36Å; W1558-L1617 HydrophobicContact CD2-CD2 4.46Å; W1558-L1617 HydrophobicContact CG-CB 4.06Å; W1558-L1617 HydrophobicContact CZ2-CD2 4Å; W1558-W1634 HydrophobicContact CE3-CH2 4.47Å; W1558-W1634 HydrophobicContact CE3-CZ2 4.28Å; W1558-W1634 HydrophobicContact CH2-CH2 4.29Å; W1558-W1634 HydrophobicContact CH2-CZ2 4.24Å; W1558-W1634 AromaticContact CZ3-CH2 3.54Å; W1558-W1634 HydrophobicContact CZ3-CH2 3.54Å; W1558-W1634 AromaticContact CZ3-CZ2 3.41Å; W1558-W1634 HydrophobicContact CZ3-CZ2 3.41Å; W1558-W1634 VanDerWaalsContact CZ3-CZ2 3.41Å; W1558-W1634 HydrophobicContact CZ3-CZ3 4.46Å |
| 1559 | L | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 2% | 0.022 | C | C | . | . | S | Bend | trans | -85.2 | -37.2 | -171.7 | -84.7 | 73.4 | 0 | 0 | 0 | 114 | F1519 P1561 T1562 L1602 L1614 P1615 E1616 T1618 | F1519-L1559 HydrophobicContact CB-CD1 4.48Å; F1519-L1559 HydrophobicContact CB-CD2 4.32Å; F1519-L1559 HydrophobicContact CB-CG 4.29Å; L1559-P1561 VanDerWaalsContact C-CD 3.45Å; L1559-T1562 WeakPolarHBondContact O-CB 3.42Å; L1559-T1562 PolarHBondContact O-N 2.88Å; L1559-T1562 PolarHBondContact O-OG1 3.49Å; L1559-L1602 HydrophobicContact CD2-CD2 4.21Å; L1559-L1614 HydrophobicContact CD2-CB 4.1Å; L1559-P1615 HydrophobicContact CD1-CG 4.15Å; L1559-P1615 HydrophobicContact CD2-CG 3.76Å; L1559-P1615 WeakPolarHBondContact CD2-O 3.49Å; L1559-E1616 PolarHBondContact N-O 3Å; L1559-T1618 HydrophobicContact CD1-CG2 4.3Å |
| 1560 | W | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 0% | 0.004 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -60.6 | -36.9 | -177.6 | 79.1 | -94.8 | 0 | 0 | 0 | 114.3 | I1195 W1369 I1490 W1558 T1562 G1563 Y1564 W1634 C1638 | I1195-W1560 HydrophobicContact CD1-CH2 4.11Å; I1195-W1560 HydrophobicContact CD1-CZ2 4.39Å; I1195-W1560 HydrophobicContact CD1-CZ3 4.32Å; I1195-W1560 HydrophobicContact CG2-CD2 4.4Å; I1195-W1560 HydrophobicContact CG2-CE3 3.82Å; I1195-W1560 HydrophobicContact CG2-CZ3 4.07Å; W1369-W1560 AromaticContact CD2-CZ2 3.67Å; W1369-W1560 HydrophobicContact CD2-CZ2 3.67Å; W1369-W1560 AromaticContact CE2-CZ2 3.6Å; W1369-W1560 AromaticContact CE3-CZ2 3.97Å; W1369-W1560 HydrophobicContact CE3-CZ2 3.97Å; W1369-W1560 HydrophobicContact CG-CZ2 4.1Å; W1369-W1560 HydrophobicContact CH2-CZ2 4.11Å; W1369-W1560 AromaticContact CZ2-CZ2 3.81Å; W1369-W1560 HydrophobicContact CZ2-CZ2 3.81Å; W1369-W1560 HydrophobicContact CZ3-CZ2 4.2Å; W1369-W1560 AromaticContact CZ3-NE1 3.8Å; I1490-W1560 HydrophobicContact CD1-CH2 3.56Å; I1490-W1560 HydrophobicContact CD1-CZ3 3.97Å; I1490-W1560 HydrophobicContact CG1-CH2 4.2Å; I1490-W1560 HydrophobicContact CG1-CZ3 4.1Å; W1558-W1560 AromaticContact CE3-CD1 3.68Å; W1558-W1560 AromaticContact CE3-NE1 3.5Å; W1558-W1560 AromaticContact CZ3-NE1 4Å; W1560-T1562 PolarHBondContact O-N 3.42Å; W1560-G1563 PolarHBondContact O-N 2.93Å; W1560-Y1564 AromaticContact CE3-CD2 3.68Å; W1560-Y1564 HydrophobicContact CE3-CD2 3.68Å; W1560-Y1564 AromaticContact CE3-CE2 3.59Å; W1560-Y1564 HydrophobicContact CE3-CE2 3.59Å; W1560-Y1564 AromaticContact CZ3-CD2 3.61Å; W1560-Y1564 HydrophobicContact CZ3-CD2 3.61Å; W1560-Y1564 AromaticContact CZ3-CE2 3.41Å; W1560-Y1564 HydrophobicContact CZ3-CE2 3.41Å; W1560-Y1564 VanDerWaalsContact CZ3-CE2 3.41Å; W1560-W1634 HydrophobicContact CB-CB 4.03Å; W1560-W1634 HydrophobicContact CB-CD2 4.38Å; W1560-W1634 HydrophobicContact CB-CG 3.96Å; W1560-W1634 WeakPolarHBondContact CB-O 3.5Å; W1560-W1634 AromaticContact CD1-CD2 3.62Å; W1560-W1634 AromaticContact CD1-CE2 3.89Å; W1560-W1634 AromaticContact CD1-CE3 3.7Å; W1560-W1634 HydrophobicContact CD2-CD2 4.46Å; W1560-W1634 HydrophobicContact CD2-CE3 4.04Å; W1560-W1634 AromaticContact CE2-CE3 3.86Å; W1560-W1634 AromaticContact CE2-CZ3 4Å; W1560-W1634 HydrophobicContact CG-CB 4.37Å; W1560-W1634 AromaticContact CG-CD2 3.93Å; W1560-W1634 HydrophobicContact CG-CD2 3.93Å; W1560-W1634 AromaticContact CG-CE3 3.99Å; W1560-W1634 HydrophobicContact CG-CE3 3.99Å; W1560-W1634 HydrophobicContact CG-CG 4.03Å; W1560-W1634 HydrophobicContact CZ2-CE3 4.45Å; W1560-W1634 HydrophobicContact CZ2-CZ3 4.35Å; W1560-W1634 AromaticContact NE1-CE3 3.66Å; W1560-W1634 AromaticContact NE1-CZ3 3.67Å; W1560-C1638 HydrophobicContact CB-CB 4.31Å; W1560-C1638 VanDerWaalsContact O-CB 3.28Å; W1560-C1638 WeakPolarHBondContact O-CB 3.13Å |
| 1561 | P | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 1% | 0.013 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -66.8 | -21.1 | 175.8 | -17.9 | 33.7 | 0 | 0 | 0 | 112.8 | W1369 P1486 M1521 W1558 L1559 G1563 Y1564 Y1565 | W1369-P1561 HydrophobicContact CH2-CG 4.42Å; P1486-P1561 HydrophobicContact CB-CB 4.05Å; P1486-P1561 HydrophobicContact CG-CB 4.32Å; M1521-P1561 HydrophobicContact CB-CB 4.18Å; M1521-P1561 HydrophobicContact CG-CB 4.21Å; W1558-P1561 HydrophobicContact CB-CG 4.12Å; W1558-P1561 WeakPolarHBondContact O-CD 3.4Å; L1559-P1561 VanDerWaalsContact C-CD 3.45Å; P1561-G1563 PolarHBondContact O-N 2.76Å; P1561-Y1564 PolarHBondContact O-N 2.87Å; P1561-Y1564 VanDerWaalsContact O-N 3.15Å; P1561-Y1565 PolarHBondContact O-N 3.38Å |
| 1562 | T | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 8.1 Ų | 8.1 | 4% | 0.037 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -58.8 | -37.1 | 171 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | F1519 G1520 L1559 W1560 Y1564 Y1565 L1566 T1598 I1639 | F1519-T1562 PolarHBondContact O-OG1 3.15Å; G1520-T1562 VanDerWaalsContact CA-OG1 3.31Å; G1520-T1562 WeakPolarHBondContact CA-OG1 3.4Å; L1559-T1562 WeakPolarHBondContact O-CB 3.42Å; L1559-T1562 PolarHBondContact O-N 2.88Å; L1559-T1562 PolarHBondContact O-OG1 3.49Å; W1560-T1562 PolarHBondContact O-N 3.42Å; T1562-Y1564 PolarHBondContact O-N 3.43Å; T1562-Y1565 WeakPolarHBondContact O-CB 3.47Å; T1562-Y1565 PolarHBondContact O-N 3.46Å; T1562-L1566 HydrophobicContact CG2-CD1 4.17Å; T1562-L1566 HydrophobicContact CG2-CG 4.28Å; T1562-L1566 VanDerWaalsContact O-CG 3.3Å; T1562-L1566 WeakPolarHBondContact O-CG 3.46Å; T1562-L1566 PolarHBondContact O-N 3.1Å; T1562-T1598 HydrophobicContact CG2-CG2 4.14Å; T1562-I1639 HydrophobicContact CG2-CD1 4.2Å |
| 1563 | G | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W1560 P1561 R1567 C1638 | W1560-G1563 PolarHBondContact O-N 2.93Å; P1561-G1563 PolarHBondContact O-N 2.76Å; G1563-R1567 WeakPolarHBondContact O-CB 3.46Å; G1563-R1567 WeakPolarHBondContact O-CD 3.44Å; G1563-R1567 WeakPolarHBondContact O-CG 3.42Å; G1563-R1567 PolarHBondContact O-N 2.86Å; G1563-R1567 VanDerWaalsContact O-N 3.13Å; G1563-C1638 WeakPolarHBondContact CA-O 3.2Å |
| 1564 | Y | 98.5 | Very high | 97.4 | Very high | 6 Ų | 6 | 8.7 Ų | 8.7 | 2% | 0.024 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -67.9 | -39.1 | 175.6 | -76.6 | -83.5 | 0 | 0 | 0 | 112.8 | I1490 V1493 V1494 W1560 P1561 T1562 R1567 A1568 | I1490-Y1564 HydrophobicContact CB-CD1 4.24Å; I1490-Y1564 HydrophobicContact CB-CE1 4.35Å; I1490-Y1564 HydrophobicContact CG1-CD1 4.16Å; I1490-Y1564 HydrophobicContact CG1-CD2 4.21Å; I1490-Y1564 HydrophobicContact CG1-CE1 4.39Å; I1490-Y1564 HydrophobicContact CG1-CE2 4.45Å; I1490-Y1564 HydrophobicContact CG1-CG 4.04Å; I1490-Y1564 HydrophobicContact CG2-CD1 4.37Å; I1490-Y1564 HydrophobicContact CG2-CE1 3.97Å; V1493-Y1564 HydrophobicContact CB-CD1 3.81Å; V1493-Y1564 HydrophobicContact CB-CE1 4.28Å; V1493-Y1564 HydrophobicContact CG1-CD1 4.08Å; V1493-Y1564 HydrophobicContact CG1-CE1 4.24Å; V1493-Y1564 HydrophobicContact CG2-CD1 3.88Å; V1493-Y1564 VanDerWaalsContact CG2-O 3.31Å; V1493-Y1564 WeakPolarHBondContact CG2-O 3.22Å; V1494-Y1564 HydrophobicContact CG1-CE1 4.32Å; W1560-Y1564 AromaticContact CE3-CD2 3.68Å; W1560-Y1564 HydrophobicContact CE3-CD2 3.68Å; W1560-Y1564 AromaticContact CE3-CE2 3.59Å; W1560-Y1564 HydrophobicContact CE3-CE2 3.59Å; W1560-Y1564 AromaticContact CZ3-CD2 3.61Å; W1560-Y1564 HydrophobicContact CZ3-CD2 3.61Å; W1560-Y1564 AromaticContact CZ3-CE2 3.41Å; W1560-Y1564 HydrophobicContact CZ3-CE2 3.41Å; W1560-Y1564 VanDerWaalsContact CZ3-CE2 3.41Å; P1561-Y1564 PolarHBondContact O-N 2.87Å; P1561-Y1564 VanDerWaalsContact O-N 3.15Å; T1562-Y1564 PolarHBondContact O-N 3.43Å; Y1564-R1567 PolarHBondContact O-N 3.23Å; Y1564-A1568 VanDerWaalsContact O-CB 3.32Å; Y1564-A1568 WeakPolarHBondContact O-CB 3.22Å; Y1564-A1568 PolarHBondContact O-N 2.93Å |
| 1565 | Y | 98.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 10.4 Ų | 10.4 | 2% | 0.02 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -55.1 | -57 | 173.6 | 172.2 | -114.7 | 0 | 0 | 0 | 111.5 | L1489 L1508 Q1512 T1516 M1521 P1561 T1562 R1567 A1568 R1569 E1594 | L1489-Y1565 HydrophobicContact CD1-CD2 4.27Å; L1489-Y1565 HydrophobicContact CD2-CD2 4.26Å; L1508-Y1565 HydrophobicContact CD2-CD2 4.23Å; L1508-Y1565 HydrophobicContact CD2-CE2 4.32Å; Q1512-Y1565 VanDerWaalsContact CB-OH 3.25Å; Q1512-Y1565 WeakPolarHBondContact CB-OH 3.25Å; Q1512-Y1565 VanDerWaalsContact CG-OH 3.22Å; Q1512-Y1565 WeakPolarHBondContact CG-OH 3.31Å; Q1512-Y1565 PolarHBondContact NE2-OH 3.08Å; T1516-Y1565 HydrophobicContact CG2-CD1 4.33Å; T1516-Y1565 HydrophobicContact CG2-CE1 3.77Å; T1516-Y1565 HydrophobicContact CG2-CE2 4.31Å; M1521-Y1565 HydrophobicContact CE-CD2 3.98Å; M1521-Y1565 HydrophobicContact CE-CG 4Å; M1521-Y1565 HydrophobicContact SD-CD1 4.16Å; M1521-Y1565 HydrophobicContact SD-CG 4.03Å; P1561-Y1565 PolarHBondContact O-N 3.38Å; T1562-Y1565 WeakPolarHBondContact O-CB 3.47Å; T1562-Y1565 PolarHBondContact O-N 3.46Å; Y1565-R1567 VanDerWaalsContact C-N 3.28Å; Y1565-R1567 PolarHBondContact O-N 2.9Å; Y1565-A1568 PolarHBondContact O-N 3.26Å; Y1565-A1568 VanDerWaalsContact O-N 3.15Å; Y1565-R1569 HydrophobicContact CD1-CG 4.46Å; Y1565-R1569 HydrophobicContact CD2-CG 3.99Å; Y1565-R1569 HydrophobicContact CE1-CG 4.12Å; Y1565-R1569 HydrophobicContact CE2-CG 3.6Å; Y1565-R1569 HydrophobicContact CG-CG 4.4Å; Y1565-R1569 VanDerWaalsContact O-CG 3.23Å; Y1565-R1569 WeakPolarHBondContact O-CG 3.38Å; Y1565-R1569 PolarHBondContact O-N 3.39Å; Y1565-E1594 WeakPolarHBondContact CE1-OE1 3.1Å; Y1565-E1594 PolarHBondContact OH-OE1 3.28Å |
| 1566 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | -177.7 | -65.1 | 176.9 | 0 | 0 | 0 | 111.5 | T1562 R1569 L1570 T1598 F1599 A1642 | T1562-L1566 HydrophobicContact CG2-CD1 4.17Å; T1562-L1566 HydrophobicContact CG2-CG 4.28Å; T1562-L1566 VanDerWaalsContact O-CG 3.3Å; T1562-L1566 WeakPolarHBondContact O-CG 3.46Å; T1562-L1566 PolarHBondContact O-N 3.1Å; L1566-R1569 PolarHBondContact O-N 3.3Å; L1566-L1570 WeakPolarHBondContact O-CB 3.3Å; L1566-L1570 VanDerWaalsContact O-CG 3.29Å; L1566-L1570 WeakPolarHBondContact O-CG 3.21Å; L1566-L1570 PolarHBondContact O-N 3.33Å; L1566-T1598 HydrophobicContact CD1-CG2 4.05Å; L1566-T1598 HydrophobicContact CD2-CG2 4.48Å; L1566-F1599 HydrophobicContact CD1-CE1 3.82Å; L1566-F1599 HydrophobicContact CD1-CE2 4.35Å; L1566-F1599 HydrophobicContact CD1-CZ 3.72Å; L1566-A1642 HydrophobicContact CB-CB 3.97Å; L1566-A1642 HydrophobicContact CD1-CB 4.33Å |
| 1567 | R | 98 | Very high | 97.1 | Very high | 17 Ų | 17 | 11 Ų | 11 | 6% | 0.064 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66 | -43.3 | 175.9 | -69.6 | 173.3 | 73.1 | -160.4 | 2.2 | 112.4 | R1198 V1493 G1563 Y1564 Y1565 L1570 K1571 E1641 A1642 D1645 | R1198-R1567 VanDerWaalsContact NH1-CZ 3.34Å; R1198-R1567 VanDerWaalsContact NH1-NH2 3.12Å; V1493-R1567 HydrophobicContact CG1-CB 4.25Å; V1493-R1567 HydrophobicContact CG2-CB 3.61Å; G1563-R1567 WeakPolarHBondContact O-CB 3.46Å; G1563-R1567 WeakPolarHBondContact O-CD 3.44Å; G1563-R1567 WeakPolarHBondContact O-CG 3.42Å; G1563-R1567 PolarHBondContact O-N 2.86Å; G1563-R1567 VanDerWaalsContact O-N 3.13Å; Y1564-R1567 PolarHBondContact O-N 3.23Å; Y1565-R1567 VanDerWaalsContact C-N 3.28Å; Y1565-R1567 PolarHBondContact O-N 2.9Å; R1567-L1570 PolarHBondContact O-N 2.95Å; R1567-K1571 VanDerWaalsContact O-CB 3.32Å; R1567-K1571 WeakPolarHBondContact O-CB 3.43Å; R1567-K1571 PolarHBondContact O-N 2.71Å; R1567-E1641 IonicContact CZ-OE2 3.46Å; R1567-E1641 IonicContact NH1-OE2 3.3Å; R1567-E1641 PolarHBondContact NH1-OE2 3.05Å; R1567-E1641 IonicContact NH2-OE2 2.75Å; R1567-A1642 HydrophobicContact CG-CB 3.77Å; R1567-D1645 HydrophobicContact CG-CB 4.42Å; R1567-D1645 WeakPolarHBondContact CG-OD2 3.46Å; R1567-D1645 IonicContact CZ-OD2 3.07Å; R1567-D1645 IonicContact NE-OD2 2.92Å; R1567-D1645 PolarHBondContact NE-OD2 2.95Å; R1567-D1645 IonicContact NH2-OD2 3.36Å |
| 1568 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | M1492 V1493 L1508 Y1564 Y1565 L1570 K1571 F1572 | M1492-A1568 HydrophobicContact CB-CB 3.82Å; M1492-A1568 HydrophobicContact SD-CB 4.07Å; V1493-A1568 HydrophobicContact CG2-CB 4.02Å; L1508-A1568 HydrophobicContact CD1-CB 4.48Å; L1508-A1568 HydrophobicContact CD2-CB 3.88Å; Y1564-A1568 VanDerWaalsContact O-CB 3.32Å; Y1564-A1568 WeakPolarHBondContact O-CB 3.22Å; Y1564-A1568 PolarHBondContact O-N 2.93Å; Y1565-A1568 PolarHBondContact O-N 3.26Å; Y1565-A1568 VanDerWaalsContact O-N 3.15Å; A1568-L1570 PolarHBondContact O-N 3.44Å; A1568-K1571 PolarHBondContact O-N 3.43Å; A1568-F1572 WeakPolarHBondContact O-CD2 3.05Å; A1568-F1572 PolarHBondContact O-N 2.91Å |
| 1569 | R | 97.7 | Very high | 96.6 | Very high | 9 Ų | 9 | 22.7 Ų | 22.7 | 3% | 0.034 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54 | -52.9 | 173.9 | -67.3 | -77.3 | -67.6 | 160.8 | -0.7 | 111.2 | W1505 L1508 E1509 Y1565 L1566 K1571 A1573 V1591 E1594 | W1505-R1569 VanDerWaalsContact CH2-CZ 3.47Å; L1508-R1569 HydrophobicContact CD2-CG 4.26Å; E1509-R1569 IonicContact OE1-CZ 2.71Å; E1509-R1569 IonicContact OE1-NH1 2.8Å; E1509-R1569 PolarHBondContact OE1-NH1 2.92Å; E1509-R1569 IonicContact OE1-NH2 2.65Å; Y1565-R1569 HydrophobicContact CD1-CG 4.46Å; Y1565-R1569 HydrophobicContact CD2-CG 3.99Å; Y1565-R1569 HydrophobicContact CE1-CG 4.12Å; Y1565-R1569 HydrophobicContact CE2-CG 3.6Å; Y1565-R1569 HydrophobicContact CG-CG 4.4Å; Y1565-R1569 VanDerWaalsContact O-CG 3.23Å; Y1565-R1569 WeakPolarHBondContact O-CG 3.38Å; Y1565-R1569 PolarHBondContact O-N 3.39Å; L1566-R1569 PolarHBondContact O-N 3.3Å; R1569-K1571 VanDerWaalsContact C-N 3.34Å; R1569-K1571 PolarHBondContact O-N 3.46Å; R1569-A1573 WeakPolarHBondContact O-CB 3.44Å; R1569-A1573 PolarHBondContact O-N 3.37Å; R1569-V1591 HydrophobicContact CB-CG1 3.65Å; R1569-V1591 HydrophobicContact CB-CG2 4.24Å; R1569-E1594 IonicContact CZ-OE2 3.61Å; R1569-E1594 VanDerWaalsContact CZ-OE2 3.3Å; R1569-E1594 IonicContact NE-OE1 3.85Å; R1569-E1594 IonicContact NE-OE2 3.48Å; R1569-E1594 PolarHBondContact NE-OE2 2.79Å; R1569-E1594 IonicContact NH2-OE2 3.75Å; R1569-E1594 PolarHBondContact NH2-OE2 3.02Å |
| 1570 | L | 96.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.8 | -42.7 | 179.7 | -75.1 | 166.4 | 0 | 0 | 0 | 112.1 | L1566 R1567 A1568 R1574 V1591 D1645 L1646 | L1566-L1570 WeakPolarHBondContact O-CB 3.3Å; L1566-L1570 VanDerWaalsContact O-CG 3.29Å; L1566-L1570 WeakPolarHBondContact O-CG 3.21Å; L1566-L1570 PolarHBondContact O-N 3.33Å; R1567-L1570 PolarHBondContact O-N 2.95Å; A1568-L1570 PolarHBondContact O-N 3.44Å; L1570-R1574 VanDerWaalsContact O-CG 3.29Å; L1570-R1574 WeakPolarHBondContact O-CG 3.19Å; L1570-R1574 PolarHBondContact O-N 2.96Å; L1570-V1591 HydrophobicContact CD2-CG1 3.76Å; L1570-V1591 HydrophobicContact CG-CG1 3.91Å; L1570-D1645 HydrophobicContact CD1-CB 4.27Å; L1570-L1646 HydrophobicContact CD1-CB 4.16Å; L1570-L1646 HydrophobicContact CD1-CD1 4.48Å; L1570-L1646 HydrophobicContact CD2-CD1 4Å |
| 1571 | K | 95.8 | Very high | 96.2 | Very high | 71 Ų | 71 | 30 Ų | 30 | 31% | 0.309 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -68.6 | -50.4 | -176.9 | -161.4 | 173.7 | -161.4 | -176.5 | 0 | 112 | V1493 P1496 R1567 A1568 R1569 R1574 M1575 | V1493-K1571 PolarHBondContact O-NZ 3.41Å; P1496-K1571 HydrophobicContact CB-CD 4.04Å; P1496-K1571 HydrophobicContact CG-CD 4.17Å; R1567-K1571 VanDerWaalsContact O-CB 3.32Å; R1567-K1571 WeakPolarHBondContact O-CB 3.43Å; R1567-K1571 PolarHBondContact O-N 2.71Å; A1568-K1571 PolarHBondContact O-N 3.43Å; R1569-K1571 VanDerWaalsContact C-N 3.34Å; R1569-K1571 PolarHBondContact O-N 3.46Å; K1571-R1574 PolarHBondContact O-N 3.28Å; K1571-M1575 HydrophobicContact CG-SD 4.35Å; K1571-M1575 WeakPolarHBondContact O-CG 3.49Å; K1571-M1575 PolarHBondContact O-N 3.3Å |
| 1572 | F | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74.4 | -31.9 | -177.2 | -79.1 | -84.6 | 0 | 0 | 0 | 113.1 | M1492 P1496 F1499 P1501 A1504 W1505 L1508 A1568 R1574 M1575 L1576 | M1492-F1572 HydrophobicContact CB-CE2 3.82Å; M1492-F1572 HydrophobicContact CE-CD2 3.82Å; M1492-F1572 HydrophobicContact CE-CE2 3.72Å; M1492-F1572 HydrophobicContact CE-CG 4.36Å; M1492-F1572 HydrophobicContact CE-CZ 4.16Å; M1492-F1572 HydrophobicContact CG-CE2 4.14Å; P1496-F1572 HydrophobicContact CB-CE2 4.2Å; P1496-F1572 HydrophobicContact CB-CZ 3.92Å; F1499-F1572 HydrophobicContact CB-CE1 3.95Å; F1499-F1572 HydrophobicContact CB-CZ 3.78Å; F1499-F1572 HydrophobicContact CD2-CZ 4.28Å; F1499-F1572 HydrophobicContact CG-CZ 4.06Å; P1501-F1572 HydrophobicContact CB-CD1 4.27Å; A1504-F1572 HydrophobicContact CB-CD1 3.4Å; A1504-F1572 HydrophobicContact CB-CD2 4.46Å; A1504-F1572 HydrophobicContact CB-CE1 3.24Å; A1504-F1572 HydrophobicContact CB-CE2 4.36Å; A1504-F1572 HydrophobicContact CB-CG 4.03Å; A1504-F1572 HydrophobicContact CB-CZ 3.77Å; W1505-F1572 HydrophobicContact CE3-CB 4.1Å; L1508-F1572 HydrophobicContact CD1-CB 4.02Å; L1508-F1572 HydrophobicContact CD1-CD2 4.29Å; L1508-F1572 HydrophobicContact CD1-CG 4.36Å; A1568-F1572 WeakPolarHBondContact O-CD2 3.05Å; A1568-F1572 PolarHBondContact O-N 2.91Å; F1572-R1574 VanDerWaalsContact C-N 3.28Å; F1572-R1574 PolarHBondContact O-N 3.05Å; F1572-M1575 HydrophobicContact CD1-SD 4.18Å; F1572-M1575 HydrophobicContact CE1-CE 4.32Å; F1572-M1575 HydrophobicContact CE1-SD 4.17Å; F1572-M1575 PolarHBondContact O-N 2.91Å; F1572-L1576 WeakPolarHBondContact O-CB 3.37Å; F1572-L1576 WeakPolarHBondContact O-CG 3.21Å; F1572-L1576 PolarHBondContact O-N 3.47Å |
| 1573 | A | 95.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.8 | -41.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | W1505 R1569 G1577 L1587 V1591 | W1505-A1573 HydrophobicContact CH2-CB 3.97Å; W1505-A1573 HydrophobicContact CZ3-CB 3.75Å; R1569-A1573 WeakPolarHBondContact O-CB 3.44Å; R1569-A1573 PolarHBondContact O-N 3.37Å; A1573-G1577 PolarHBondContact O-N 3.23Å; A1573-L1587 HydrophobicContact CB-CB 3.88Å; A1573-V1591 HydrophobicContact CB-CB 4.42Å; A1573-V1591 HydrophobicContact CB-CG2 3.95Å |
| 1574 | R | 92.7 | Very high | 95.8 | Very high | 43 Ų | 43 | 46.8 Ų | 46.8 | 16% | 0.162 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.2 | -46.8 | 176.5 | -69.5 | 174.4 | -168.5 | 155.7 | 3.7 | 112.2 | L1570 K1571 F1572 L1576 G1577 Q1578 T1588 D1645 T1649 | L1570-R1574 VanDerWaalsContact O-CG 3.29Å; L1570-R1574 WeakPolarHBondContact O-CG 3.19Å; L1570-R1574 PolarHBondContact O-N 2.96Å; K1571-R1574 PolarHBondContact O-N 3.28Å; F1572-R1574 VanDerWaalsContact C-N 3.28Å; F1572-R1574 PolarHBondContact O-N 3.05Å; R1574-L1576 VanDerWaalsContact C-N 3.32Å; R1574-L1576 PolarHBondContact O-N 3.29Å; R1574-G1577 PolarHBondContact O-N 3.01Å; R1574-Q1578 WeakPolarHBondContact O-CG 3.35Å; R1574-Q1578 PolarHBondContact O-N 3.13Å; R1574-T1588 HydrophobicContact CG-CG2 4.31Å; R1574-D1645 PolarHBondContact NH2-O 3.25Å; R1574-T1649 VanDerWaalsContact NH1-C 3.32Å; R1574-T1649 VanDerWaalsContact NH1-CB 3.27Å; R1574-T1649 PolarHBondContact NH1-O 3.17Å; R1574-T1649 PolarHBondContact NH1-OG1 3.11Å |
| 1575 | M | 95.1 | Very high | 95.4 | Very high | 51 Ų | 51 | 48.5 Ų | 48.5 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57 | -46.5 | 177.6 | -71.7 | 172.7 | 68.6 | 0 | 0 | 111.3 | P1496 P1501 K1571 F1572 Q1578 L1579 | P1496-M1575 HydrophobicContact CB-SD 4.27Å; P1501-M1575 HydrophobicContact CG-CE 3.92Å; K1571-M1575 HydrophobicContact CG-SD 4.35Å; K1571-M1575 WeakPolarHBondContact O-CG 3.49Å; K1571-M1575 PolarHBondContact O-N 3.3Å; F1572-M1575 HydrophobicContact CD1-SD 4.18Å; F1572-M1575 HydrophobicContact CE1-CE 4.32Å; F1572-M1575 HydrophobicContact CE1-SD 4.17Å; F1572-M1575 PolarHBondContact O-N 2.91Å; M1575-Q1578 PolarHBondContact O-N 3.46Å; M1575-L1579 VanDerWaalsContact O-CG 3.25Å; M1575-L1579 WeakPolarHBondContact O-CG 3.31Å; M1575-L1579 PolarHBondContact O-N 3.3Å |
| 1576 | L | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 176.9 | -75.2 | 177.6 | 0 | 0 | 0 | 112.6 | P1501 E1502 W1505 F1572 R1574 Q1578 L1579 D1580 W1584 L1587 | P1501-L1576 HydrophobicContact CB-CD2 3.73Å; P1501-L1576 HydrophobicContact CB-CG 4.21Å; E1502-L1576 HydrophobicContact CG-CD2 3.98Å; W1505-L1576 HydrophobicContact CB-CD1 3.43Å; W1505-L1576 VanDerWaalsContact CB-CD1 3.43Å; W1505-L1576 HydrophobicContact CD2-CD1 3.85Å; W1505-L1576 HydrophobicContact CE3-CD1 4.14Å; W1505-L1576 HydrophobicContact CG-CD1 3.53Å; F1572-L1576 WeakPolarHBondContact O-CB 3.37Å; F1572-L1576 WeakPolarHBondContact O-CG 3.21Å; F1572-L1576 PolarHBondContact O-N 3.47Å; R1574-L1576 VanDerWaalsContact C-N 3.32Å; R1574-L1576 PolarHBondContact O-N 3.29Å; L1576-Q1578 PolarHBondContact O-N 3Å; L1576-L1579 HydrophobicContact CD2-CD1 4.27Å; L1576-L1579 PolarHBondContact O-N 3.37Å; L1576-D1580 PolarHBondContact O-N 2.92Å; L1576-W1584 HydrophobicContact CB-CB 3.8Å; L1576-W1584 HydrophobicContact CB-CD2 4.19Å; L1576-W1584 HydrophobicContact CB-CG 3.7Å; L1576-W1584 HydrophobicContact CD1-CD2 4.15Å; L1576-W1584 HydrophobicContact CD1-CE3 4.36Å; L1576-W1584 HydrophobicContact CD1-CZ2 4.43Å; L1576-W1584 HydrophobicContact CD2-CZ2 4.47Å; L1576-W1584 HydrophobicContact CG-CG 4.49Å; L1576-L1587 HydrophobicContact CB-CD1 4.49Å; L1576-L1587 HydrophobicContact CD1-CD1 4.12Å |
| 1577 | G | 93.5 | Very high | 95 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.2 | -31.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1573 R1574 P1581 | A1573-G1577 PolarHBondContact O-N 3.23Å; R1574-G1577 PolarHBondContact O-N 3.01Å; G1577-P1581 VanDerWaalsContact O-CA 3.22Å; G1577-P1581 WeakPolarHBondContact O-CA 3.47Å; G1577-P1581 WeakPolarHBondContact O-CD 3.35Å; G1577-P1581 VanDerWaalsContact O-CG 3.22Å; G1577-P1581 WeakPolarHBondContact O-CG 3.48Å |
| 1578 | Q | 93.1 | Very high | 94.6 | Very high | 141 Ų | 141 | 54.9 Ų | 54.9 | 66% | 0.659 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -77.9 | -36.8 | 173.6 | -71.1 | 173.6 | -6.1 | 0 | 0 | 112.7 | R1574 M1575 L1576 | R1574-Q1578 WeakPolarHBondContact O-CG 3.35Å; R1574-Q1578 PolarHBondContact O-N 3.13Å; M1575-Q1578 PolarHBondContact O-N 3.46Å; L1576-Q1578 PolarHBondContact O-N 3Å |
| 1579 | L | 93.6 | Very high | 94.3 | Very high | 106 Ų | 106 | 60.5 Ų | 60.5 | 56% | 0.555 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.5 | -47.1 | 179.1 | -75.7 | 165.2 | 0 | 0 | 0 | 112.5 | P1501 M1575 L1576 | P1501-L1579 HydrophobicContact CB-CD1 3.79Å; P1501-L1579 HydrophobicContact CG-CD1 3.79Å; M1575-L1579 VanDerWaalsContact O-CG 3.25Å; M1575-L1579 WeakPolarHBondContact O-CG 3.31Å; M1575-L1579 PolarHBondContact O-N 3.3Å; L1576-L1579 HydrophobicContact CD2-CD1 4.27Å; L1576-L1579 PolarHBondContact O-N 3.37Å |
| 1580 | D | 94.5 | Very high | 94 | Very high | 67 Ų | 67 | 63.9 Ų | 63.9 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | trans | -144.5 | 90 | 175 | -175.4 | -11.3 | 0 | 0 | 0 | 110.3 | L1576 K1582 K1583 W1584 | L1576-D1580 PolarHBondContact O-N 2.92Å; D1580-K1582 PolarHBondContact O-N 2.86Å; D1580-K1582 PolarHBondContact OD1-N 3.22Å; D1580-K1582 VanDerWaalsContact OD1-N 3.09Å; D1580-K1583 HydrophobicContact CB-CB 4.09Å; D1580-K1583 VanDerWaalsContact CG-CB 3.47Å; D1580-K1583 PolarHBondContact O-N 3.32Å; D1580-K1583 PolarHBondContact OD1-N 3.05Å; D1580-K1583 VanDerWaalsContact OD1-N 3.13Å; D1580-K1583 VanDerWaalsContact OD2-CB 3.29Å; D1580-K1583 WeakPolarHBondContact OD2-CB 3.31Å; D1580-W1584 PolarHBondContact O-N 3.13Å | ||
| 1581 | P | 92.9 | Very high | 94 | Very high | 87 Ų | 87 | 63.7 Ų | 63.7 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.4 | -29.4 | 179.6 | -23.2 | 29.3 | 0 | 0 | 0 | 114.1 | G1577 G1585 | G1577-P1581 VanDerWaalsContact O-CA 3.22Å; G1577-P1581 WeakPolarHBondContact O-CA 3.47Å; G1577-P1581 WeakPolarHBondContact O-CD 3.35Å; G1577-P1581 VanDerWaalsContact O-CG 3.22Å; G1577-P1581 WeakPolarHBondContact O-CG 3.48Å; P1581-G1585 VanDerWaalsContact O-CA 3.23Å; P1581-G1585 WeakPolarHBondContact O-CA 3.34Å; P1581-G1585 PolarHBondContact O-N 2.99Å |
| 1582 | K | 94.1 | Very high | 93.9 | Very high | 205 Ų | 205 | 60.9 Ų | 60.9 | 89% | 0.891 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -73.3 | -39.6 | -179.1 | -70.2 | -175.7 | 179.4 | 179.9 | 0 | 111.1 | D1580 | D1580-K1582 PolarHBondContact O-N 2.86Å; D1580-K1582 PolarHBondContact OD1-N 3.22Å; D1580-K1582 VanDerWaalsContact OD1-N 3.09Å |
| 1583 | K | 95.7 | Very high | 93.7 | Very high | 117 Ų | 117 | 62.5 Ų | 62.5 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -78.7 | -41.5 | 179.3 | -173.3 | 176.5 | 175.8 | -171.7 | 0 | 112.3 | D1580 H1586 | D1580-K1583 HydrophobicContact CB-CB 4.09Å; D1580-K1583 VanDerWaalsContact CG-CB 3.47Å; D1580-K1583 PolarHBondContact O-N 3.32Å; D1580-K1583 PolarHBondContact OD1-N 3.05Å; D1580-K1583 VanDerWaalsContact OD1-N 3.13Å; D1580-K1583 VanDerWaalsContact OD2-CB 3.29Å; D1580-K1583 WeakPolarHBondContact OD2-CB 3.31Å; K1583-H1586 PolarHBondContact O-CE1 2.96Å; K1583-H1586 VanDerWaalsContact O-CE1 3.28Å |
| 1584 | W | 95.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 63.8 Ų | 63.8 | 15% | 0.148 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -119.6 | -1.1 | -165.6 | -56.7 | 119.3 | 0 | 0 | 0 | 115.1 | E1502 W1505 L1576 D1580 H1586 L1587 | E1502-W1584 HydrophobicContact CG-CZ2 4.38Å; W1505-W1584 AromaticContact CD1-CZ3 3.94Å; L1576-W1584 HydrophobicContact CB-CB 3.8Å; L1576-W1584 HydrophobicContact CB-CD2 4.19Å; L1576-W1584 HydrophobicContact CB-CG 3.7Å; L1576-W1584 HydrophobicContact CD1-CD2 4.15Å; L1576-W1584 HydrophobicContact CD1-CE3 4.36Å; L1576-W1584 HydrophobicContact CD1-CZ2 4.43Å; L1576-W1584 HydrophobicContact CD2-CZ2 4.47Å; L1576-W1584 HydrophobicContact CG-CG 4.49Å; D1580-W1584 PolarHBondContact O-N 3.13Å; W1584-H1586 PolarHBondContact O-N 3.44Å; W1584-L1587 HydrophobicContact CB-CD1 4.14Å; W1584-L1587 HydrophobicContact CD2-CD1 4.17Å; W1584-L1587 HydrophobicContact CE3-CD1 3.47Å; W1584-L1587 VanDerWaalsContact CE3-CD1 3.47Å; W1584-L1587 HydrophobicContact CE3-CG 4.16Å; W1584-L1587 HydrophobicContact CG-CD1 4.49Å; W1584-L1587 HydrophobicContact CZ3-CD1 4.15Å; W1584-L1587 WeakPolarHBondContact O-CB 3.4Å; W1584-L1587 WeakPolarHBondContact O-CG 3.46Å; W1584-L1587 PolarHBondContact O-N 3.09Å |
| 1585 | G | 90.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1581 | P1581-G1585 VanDerWaalsContact O-CA 3.23Å; P1581-G1585 WeakPolarHBondContact O-CA 3.34Å; P1581-G1585 PolarHBondContact O-N 2.99Å |
| 1586 | H | 93 | Very high | 93.9 | Very high | 100 Ų | 100 | 60.1 Ų | 60.1 | 46% | 0.463 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -30.1 | 176.9 | 63 | -75.9 | 0 | 0 | 0 | 113.2 | K1583 W1584 T1588 L1589 D1590 | K1583-H1586 PolarHBondContact O-CE1 2.96Å; K1583-H1586 VanDerWaalsContact O-CE1 3.28Å; W1584-H1586 PolarHBondContact O-N 3.44Å; H1586-T1588 VanDerWaalsContact C-N 3.27Å; H1586-T1588 PolarHBondContact O-N 2.78Å; H1586-T1588 VanDerWaalsContact O-N 3.12Å; H1586-L1589 PolarHBondContact O-N 2.81Å; H1586-D1590 IonicContact CD2-OD2 4Å; H1586-D1590 PolarHBondContact CD2-OD2 3.31Å; H1586-D1590 VanDerWaalsContact CD2-OD2 3.24Å; H1586-D1590 PolarHBondContact O-N 3.33Å |
| 1587 | L | 94.5 | Very high | 93.8 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.9 | -35.3 | -170.3 | -69.2 | -173.8 | 0 | 0 | 0 | 114 | W1505 A1573 L1576 W1584 L1589 D1590 V1591 | W1505-L1587 HydrophobicContact CD2-CD1 3.89Å; W1505-L1587 VanDerWaalsContact CE2-CD1 3.44Å; W1505-L1587 HydrophobicContact CE3-CD1 4.28Å; W1505-L1587 HydrophobicContact CH2-CB 4.23Å; W1505-L1587 HydrophobicContact CH2-CD1 3.85Å; W1505-L1587 HydrophobicContact CH2-CD2 4.08Å; W1505-L1587 HydrophobicContact CH2-CG 4.29Å; W1505-L1587 HydrophobicContact CZ2-CB 4.32Å; W1505-L1587 HydrophobicContact CZ2-CD1 3.46Å; W1505-L1587 VanDerWaalsContact CZ2-CD1 3.46Å; W1505-L1587 HydrophobicContact CZ2-CD2 3.37Å; W1505-L1587 HydrophobicContact CZ2-CG 3.89Å; W1505-L1587 HydrophobicContact CZ3-CD1 4.26Å; A1573-L1587 HydrophobicContact CB-CB 3.88Å; L1576-L1587 HydrophobicContact CB-CD1 4.49Å; L1576-L1587 HydrophobicContact CD1-CD1 4.12Å; W1584-L1587 HydrophobicContact CB-CD1 4.14Å; W1584-L1587 HydrophobicContact CD2-CD1 4.17Å; W1584-L1587 HydrophobicContact CE3-CD1 3.47Å; W1584-L1587 VanDerWaalsContact CE3-CD1 3.47Å; W1584-L1587 HydrophobicContact CE3-CG 4.16Å; W1584-L1587 HydrophobicContact CG-CD1 4.49Å; W1584-L1587 HydrophobicContact CZ3-CD1 4.15Å; W1584-L1587 WeakPolarHBondContact O-CB 3.4Å; W1584-L1587 WeakPolarHBondContact O-CG 3.46Å; W1584-L1587 PolarHBondContact O-N 3.09Å; L1587-L1589 VanDerWaalsContact C-N 3.28Å; L1587-L1589 PolarHBondContact O-N 2.85Å; L1587-D1590 PolarHBondContact O-N 3.25Å; L1587-V1591 WeakPolarHBondContact O-CB 3.49Å; L1587-V1591 VanDerWaalsContact O-CG2 3.31Å; L1587-V1591 WeakPolarHBondContact O-CG2 3.41Å; L1587-V1591 PolarHBondContact O-N 3Å |
| 1588 | T | 91.2 | Very high | 93.9 | Very high | 44 Ų | 44 | 64.4 Ų | 64.4 | 27% | 0.27 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -37.4 | -178.9 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | R1574 H1586 T1592 | R1574-T1588 HydrophobicContact CG-CG2 4.31Å; H1586-T1588 VanDerWaalsContact C-N 3.27Å; H1586-T1588 PolarHBondContact O-N 2.78Å; H1586-T1588 VanDerWaalsContact O-N 3.12Å; T1588-T1592 VanDerWaalsContact O-CB 3.31Å; T1588-T1592 WeakPolarHBondContact O-CB 3.37Å; T1588-T1592 PolarHBondContact O-N 3.29Å; T1588-T1592 VanDerWaalsContact O-N 3.07Å; T1588-T1592 PolarHBondContact O-OG1 3.47Å |
| 1589 | L | 90.4 | Very high | 94.1 | Very high | 118 Ų | 118 | 57.7 Ų | 57.7 | 62% | 0.618 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -72.2 | -43.6 | 177.4 | -179.9 | 62 | 0 | 0 | 0 | 111.2 | H1586 L1587 V1591 T1592 T1593 | H1586-L1589 PolarHBondContact O-N 2.81Å; L1587-L1589 VanDerWaalsContact C-N 3.28Å; L1587-L1589 PolarHBondContact O-N 2.85Å; L1589-V1591 PolarHBondContact O-N 2.92Å; L1589-T1592 WeakPolarHBondContact O-CB 3.35Å; L1589-T1592 PolarHBondContact O-N 3.04Å; L1589-T1593 PolarHBondContact O-N 3.47Å; L1589-T1593 PolarHBondContact O-OG1 2.64Å |
| 1590 | D | 93.3 | Very high | 94.1 | Very high | 80 Ų | 80 | 53 Ų | 53 | 43% | 0.428 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | -179.7 | -64 | -14.1 | 0 | 0 | 0 | 111.4 | H1586 L1587 T1593 E1594 | H1586-D1590 IonicContact CD2-OD2 4Å; H1586-D1590 PolarHBondContact CD2-OD2 3.31Å; H1586-D1590 VanDerWaalsContact CD2-OD2 3.24Å; H1586-D1590 PolarHBondContact O-N 3.33Å; L1587-D1590 PolarHBondContact O-N 3.25Å; D1590-T1593 WeakPolarHBondContact O-CB 3.38Å; D1590-T1593 PolarHBondContact O-N 2.99Å; D1590-E1594 WeakPolarHBondContact O-CB 3.35Å; D1590-E1594 PolarHBondContact O-N 3.47Å |
| 1591 | V | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 175.8 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | W1505 R1569 L1570 A1573 L1587 L1589 T1593 E1594 C1595 | W1505-V1591 HydrophobicContact CH2-CG2 3.63Å; W1505-V1591 HydrophobicContact CZ3-CG2 4.32Å; R1569-V1591 HydrophobicContact CB-CG1 3.65Å; R1569-V1591 HydrophobicContact CB-CG2 4.24Å; L1570-V1591 HydrophobicContact CD2-CG1 3.76Å; L1570-V1591 HydrophobicContact CG-CG1 3.91Å; A1573-V1591 HydrophobicContact CB-CB 4.42Å; A1573-V1591 HydrophobicContact CB-CG2 3.95Å; L1587-V1591 WeakPolarHBondContact O-CB 3.49Å; L1587-V1591 VanDerWaalsContact O-CG2 3.31Å; L1587-V1591 WeakPolarHBondContact O-CG2 3.41Å; L1587-V1591 PolarHBondContact O-N 3Å; L1589-V1591 PolarHBondContact O-N 2.92Å; V1591-T1593 VanDerWaalsContact C-N 3.26Å; V1591-T1593 PolarHBondContact O-N 3.28Å; V1591-E1594 WeakPolarHBondContact O-CB 3.42Å; V1591-E1594 PolarHBondContact O-N 3.36Å; V1591-C1595 WeakPolarHBondContact O-CB 3.4Å; V1591-C1595 PolarHBondContact O-N 2.93Å; V1591-C1595 PolarHBondContact O-SG 3.09Å |
| 1592 | T | 94 | Very high | 94.3 | Very high | 13 Ų | 13 | 49.7 Ų | 49.7 | 8% | 0.08 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.2 | -44.8 | 174.9 | -65.2 | 0 | 0 | 0 | 0 | 110 | T1588 L1589 C1595 Q1596 L1646 | T1588-T1592 VanDerWaalsContact O-CB 3.31Å; T1588-T1592 WeakPolarHBondContact O-CB 3.37Å; T1588-T1592 PolarHBondContact O-N 3.29Å; T1588-T1592 VanDerWaalsContact O-N 3.07Å; T1588-T1592 PolarHBondContact O-OG1 3.47Å; L1589-T1592 WeakPolarHBondContact O-CB 3.35Å; L1589-T1592 PolarHBondContact O-N 3.04Å; T1592-C1595 PolarHBondContact O-N 3.36Å; T1592-Q1596 VanDerWaalsContact O-CG 3.29Å; T1592-Q1596 WeakPolarHBondContact O-CG 3.23Å; T1592-Q1596 PolarHBondContact O-N 3.06Å; T1592-L1646 HydrophobicContact CG2-CD1 3.94Å |
| 1593 | T | 93.4 | Very high | 94.3 | Very high | 33 Ų | 33 | 41.1 Ų | 41.1 | 20% | 0.202 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 176.9 | -58.7 | 0 | 0 | 0 | 0 | 112 | G39 L1589 D1590 V1591 C1595 Q1596 K1597 | G39-T1593 WeakPolarHBondContact O-CG2 3.15Å; L1589-T1593 PolarHBondContact O-N 3.47Å; L1589-T1593 PolarHBondContact O-OG1 2.64Å; D1590-T1593 WeakPolarHBondContact O-CB 3.38Å; D1590-T1593 PolarHBondContact O-N 2.99Å; V1591-T1593 VanDerWaalsContact C-N 3.26Å; V1591-T1593 PolarHBondContact O-N 3.28Å; T1593-C1595 VanDerWaalsContact C-N 3.34Å; T1593-C1595 PolarHBondContact O-N 3.07Å; T1593-Q1596 PolarHBondContact O-N 3.49Å; T1593-K1597 HydrophobicContact CG2-CD 4.28Å; T1593-K1597 WeakPolarHBondContact O-CG 3.13Å; T1593-K1597 PolarHBondContact O-N 2.83Å |
| 1594 | E | 94.8 | Very high | 94.1 | Very high | 29 Ų | 29 | 39.8 Ų | 39.8 | 14% | 0.136 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 175.6 | -173.7 | -161.6 | 144.7 | 0 | 0 | 112 | Q1512 Y1565 R1569 D1590 V1591 K1597 T1598 | Q1512-E1594 VanDerWaalsContact NE2-CD 3.31Å; Q1512-E1594 PolarHBondContact NE2-OE1 3.09Å; Q1512-E1594 PolarHBondContact NE2-OE2 2.93Å; Y1565-E1594 WeakPolarHBondContact CE1-OE1 3.1Å; Y1565-E1594 PolarHBondContact OH-OE1 3.28Å; R1569-E1594 IonicContact CZ-OE2 3.61Å; R1569-E1594 VanDerWaalsContact CZ-OE2 3.3Å; R1569-E1594 IonicContact NE-OE1 3.85Å; R1569-E1594 IonicContact NE-OE2 3.48Å; R1569-E1594 PolarHBondContact NE-OE2 2.79Å; R1569-E1594 IonicContact NH2-OE2 3.75Å; R1569-E1594 PolarHBondContact NH2-OE2 3.02Å; D1590-E1594 WeakPolarHBondContact O-CB 3.35Å; D1590-E1594 PolarHBondContact O-N 3.47Å; V1591-E1594 WeakPolarHBondContact O-CB 3.42Å; V1591-E1594 PolarHBondContact O-N 3.36Å; E1594-K1597 PolarHBondContact O-N 2.91Å; E1594-T1598 WeakPolarHBondContact O-CB 3.13Å; E1594-T1598 PolarHBondContact O-N 3.26Å; E1594-T1598 PolarHBondContact O-OG1 3.47Å |
| 1595 | C | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -48.7 | 176.4 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | V1591 T1592 T1593 K1597 T1598 F1599 L1646 | V1591-C1595 WeakPolarHBondContact O-CB 3.4Å; V1591-C1595 PolarHBondContact O-N 2.93Å; V1591-C1595 PolarHBondContact O-SG 3.09Å; T1592-C1595 PolarHBondContact O-N 3.36Å; T1593-C1595 VanDerWaalsContact C-N 3.34Å; T1593-C1595 PolarHBondContact O-N 3.07Å; C1595-K1597 PolarHBondContact O-N 2.71Å; C1595-T1598 PolarHBondContact O-N 3.24Å; C1595-T1598 VanDerWaalsContact O-N 3.13Å; C1595-F1599 HydrophobicContact CB-CD2 4.14Å; C1595-F1599 HydrophobicContact CB-CE2 3.84Å; C1595-F1599 WeakPolarHBondContact O-CB 3.46Å; C1595-F1599 WeakPolarHBondContact O-CD2 3.29Å; C1595-F1599 WeakPolarHBondContact O-CG 3.21Å; C1595-F1599 PolarHBondContact O-N 3.48Å; C1595-L1646 HydrophobicContact CB-CD1 3.84Å; C1595-L1646 HydrophobicContact CB-CD2 4.08Å; C1595-L1646 HydrophobicContact CB-CG 4.5Å |
| 1596 | Q | 95.3 | Very high | 93.9 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57 | -46.8 | 178.6 | -76.1 | 172.8 | -27.8 | 0 | 0 | 111.9 | I38 Q74 S75 C77 F78 T1592 T1593 T1598 F1599 A1600 L1646 | I38-Q1596 HydrophobicContact CG2-CB 4.04Å; Q74-Q1596 PolarHBondContact O-NE2 2.98Å; S75-Q1596 PolarHBondContact O-NE2 3.43Å; C77-Q1596 PolarHBondContact SG-NE2 2.9Å; F78-Q1596 HydrophobicContact CZ-CG 4.43Å; T1592-Q1596 VanDerWaalsContact O-CG 3.29Å; T1592-Q1596 WeakPolarHBondContact O-CG 3.23Å; T1592-Q1596 PolarHBondContact O-N 3.06Å; T1593-Q1596 PolarHBondContact O-N 3.49Å; Q1596-T1598 VanDerWaalsContact C-N 3.32Å; Q1596-T1598 PolarHBondContact O-N 2.86Å; Q1596-F1599 PolarHBondContact O-N 2.86Å; Q1596-A1600 WeakPolarHBondContact O-CB 3.24Å; Q1596-A1600 PolarHBondContact O-N 2.8Å; Q1596-L1646 HydrophobicContact CG-CD2 4.2Å |
| 1597 | K | 94.5 | Very high | 93.6 | Very high | 94 Ų | 94 | 38.4 Ų | 38.4 | 41% | 0.409 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.4 | -39.6 | 175.9 | -72.5 | 177.1 | 179 | -176.8 | 0 | 112.4 | I38 T1593 E1594 C1595 R1601 | I38-K1597 VanDerWaalsContact O-CG 3.26Å; I38-K1597 WeakPolarHBondContact O-CG 3.49Å; T1593-K1597 HydrophobicContact CG2-CD 4.28Å; T1593-K1597 WeakPolarHBondContact O-CG 3.13Å; T1593-K1597 PolarHBondContact O-N 2.83Å; E1594-K1597 PolarHBondContact O-N 2.91Å; C1595-K1597 PolarHBondContact O-N 2.71Å; K1597-R1601 WeakPolarHBondContact O-CG 3.24Å; K1597-R1601 PolarHBondContact O-N 3.03Å; K1597-R1601 PolarHBondContact O-NE 3.48Å |
| 1598 | T | 95.7 | Very high | 93.2 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69 | -46.4 | 178.2 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | T1562 L1566 E1594 C1595 Q1596 A1600 R1601 L1602 | T1562-T1598 HydrophobicContact CG2-CG2 4.14Å; L1566-T1598 HydrophobicContact CD1-CG2 4.05Å; L1566-T1598 HydrophobicContact CD2-CG2 4.48Å; E1594-T1598 WeakPolarHBondContact O-CB 3.13Å; E1594-T1598 PolarHBondContact O-N 3.26Å; E1594-T1598 PolarHBondContact O-OG1 3.47Å; C1595-T1598 PolarHBondContact O-N 3.24Å; C1595-T1598 VanDerWaalsContact O-N 3.13Å; Q1596-T1598 VanDerWaalsContact C-N 3.32Å; Q1596-T1598 PolarHBondContact O-N 2.86Å; T1598-A1600 VanDerWaalsContact C-N 3.32Å; T1598-A1600 PolarHBondContact O-N 2.97Å; T1598-R1601 PolarHBondContact O-N 2.8Å; T1598-R1601 PolarHBondContact OG1-NH2 3.17Å; T1598-L1602 HydrophobicContact CG2-CD1 4.22Å; T1598-L1602 WeakPolarHBondContact O-CG 3.24Å; T1598-L1602 PolarHBondContact O-N 3.39Å |
| 1599 | F | 97 | Very high | 93.1 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -35.5 | 176.4 | -70.4 | -48 | 0 | 0 | 0 | 112.9 | F78 L1131 L1566 C1595 Q1596 L1602 N1603 I1639 A1642 L1643 L1646 | F78-F1599 HydrophobicContact CE1-CB 3.55Å; F78-F1599 HydrophobicContact CZ-CB 3.55Å; F78-F1599 HydrophobicContact CZ-CD2 4.03Å; F78-F1599 HydrophobicContact CZ-CG 4.19Å; L1131-F1599 HydrophobicContact CD2-CB 3.86Å; L1566-F1599 HydrophobicContact CD1-CE1 3.82Å; L1566-F1599 HydrophobicContact CD1-CE2 4.35Å; L1566-F1599 HydrophobicContact CD1-CZ 3.72Å; C1595-F1599 HydrophobicContact CB-CD2 4.14Å; C1595-F1599 HydrophobicContact CB-CE2 3.84Å; C1595-F1599 WeakPolarHBondContact O-CB 3.46Å; C1595-F1599 WeakPolarHBondContact O-CD2 3.29Å; C1595-F1599 WeakPolarHBondContact O-CG 3.21Å; C1595-F1599 PolarHBondContact O-N 3.48Å; Q1596-F1599 PolarHBondContact O-N 2.86Å; F1599-L1602 HydrophobicContact CD1-CD1 4.3Å; F1599-L1602 PolarHBondContact O-N 2.86Å; F1599-N1603 PolarHBondContact O-N 3.46Å; F1599-I1639 HydrophobicContact CD1-CG2 4.07Å; F1599-I1639 HydrophobicContact CE1-CG2 3.91Å; F1599-A1642 HydrophobicContact CE1-CB 4.13Å; F1599-A1642 HydrophobicContact CZ-CB 3.66Å; F1599-L1643 HydrophobicContact CD1-CD1 4.49Å; F1599-L1643 HydrophobicContact CD2-CD1 3.76Å; F1599-L1643 HydrophobicContact CE1-CB 4.09Å; F1599-L1643 HydrophobicContact CE2-CB 4.36Å; F1599-L1643 HydrophobicContact CE2-CD1 3.86Å; F1599-L1643 HydrophobicContact CG-CD1 4.12Å; F1599-L1643 HydrophobicContact CZ-CB 3.97Å; F1599-L1643 HydrophobicContact CZ-CD1 4.29Å; F1599-L1646 HydrophobicContact CD2-CD2 3.7Å; F1599-L1646 HydrophobicContact CE2-CB 4.2Å; F1599-L1646 HydrophobicContact CE2-CD2 3.63Å; F1599-L1646 HydrophobicContact CE2-CG 4.47Å |
| 1600 | A | 95 | Very high | 93.1 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 5% | 0.05 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V35 I38 Q1596 T1598 L1602 N1603 Q1604 | V35-A1600 HydrophobicContact CB-CB 4.28Å; V35-A1600 HydrophobicContact CG2-CB 3.76Å; I38-A1600 HydrophobicContact CB-CB 3.7Å; I38-A1600 HydrophobicContact CG1-CB 3.99Å; I38-A1600 HydrophobicContact CG2-CB 3.77Å; Q1596-A1600 WeakPolarHBondContact O-CB 3.24Å; Q1596-A1600 PolarHBondContact O-N 2.8Å; T1598-A1600 VanDerWaalsContact C-N 3.32Å; T1598-A1600 PolarHBondContact O-N 2.97Å; A1600-L1602 VanDerWaalsContact C-N 3.34Å; A1600-L1602 PolarHBondContact O-N 2.54Å; A1600-N1603 PolarHBondContact O-N 2.91Å; A1600-Q1604 PolarHBondContact O-N 3.25Å |
| 1601 | R | 95.2 | Very high | 93.1 | Very high | 82 Ų | 82 | 36.4 Ų | 36.4 | 31% | 0.309 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 173.4 | -72.2 | -179.2 | -67.3 | 162.3 | 4.8 | 112.1 | V35 P1518 F1519 K1597 T1598 Q1604 R1605 | V35-R1601 HydrophobicContact CG2-CB 4.33Å; V35-R1601 HydrophobicContact CG2-CG 3.67Å; P1518-R1601 PolarHBondContact O-NH1 3.03Å; F1519-R1601 HydrophobicContact CD1-CB 4.3Å; F1519-R1601 HydrophobicContact CE1-CB 4.04Å; K1597-R1601 WeakPolarHBondContact O-CG 3.24Å; K1597-R1601 PolarHBondContact O-N 3.03Å; K1597-R1601 PolarHBondContact O-NE 3.48Å; T1598-R1601 PolarHBondContact O-N 2.8Å; T1598-R1601 PolarHBondContact OG1-NH2 3.17Å; R1601-Q1604 PolarHBondContact O-N 3.19Å; R1601-R1605 PolarHBondContact O-N 2.76Å |
| 1602 | L | 95.5 | Very high | 92.9 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.9 | -39.2 | 175.6 | -68.7 | 169.6 | 0 | 0 | 0 | 112.1 | F1519 L1559 T1598 F1599 A1600 R1605 M1606 L1614 I1639 | F1519-L1602 HydrophobicContact CB-CD2 4.03Å; F1519-L1602 HydrophobicContact CD1-CD2 4.2Å; L1559-L1602 HydrophobicContact CD2-CD2 4.21Å; T1598-L1602 HydrophobicContact CG2-CD1 4.22Å; T1598-L1602 WeakPolarHBondContact O-CG 3.24Å; T1598-L1602 PolarHBondContact O-N 3.39Å; F1599-L1602 HydrophobicContact CD1-CD1 4.3Å; F1599-L1602 PolarHBondContact O-N 2.86Å; A1600-L1602 VanDerWaalsContact C-N 3.34Å; A1600-L1602 PolarHBondContact O-N 2.54Å; L1602-R1605 PolarHBondContact O-N 2.54Å; L1602-M1606 WeakPolarHBondContact O-CB 3.44Å; L1602-M1606 PolarHBondContact O-N 3.32Å; L1602-L1614 HydrophobicContact CB-CD2 4.27Å; L1602-L1614 HydrophobicContact CD2-CD1 4.33Å; L1602-L1614 HydrophobicContact CD2-CD2 4Å; L1602-I1639 HydrophobicContact CD1-CD1 3.59Å; L1602-I1639 HydrophobicContact CD1-CG1 4.03Å; L1602-I1639 HydrophobicContact CD1-CG2 3.96Å |
| 1603 | N | 94.1 | Very high | 93 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 13% | 0.128 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 173.9 | -175.3 | 55.8 | 0 | 0 | 0 | 111.1 | L1131 K1134 F1599 A1600 R1605 M1606 E1607 | L1131-N1603 HydrophobicContact CD1-CB 3.71Å; L1131-N1603 HydrophobicContact CD2-CB 4.31Å; L1131-N1603 HydrophobicContact CG-CB 4.48Å; K1134-N1603 PolarHBondContact NZ-OD1 3.4Å; F1599-N1603 PolarHBondContact O-N 3.46Å; A1600-N1603 PolarHBondContact O-N 2.91Å; N1603-R1605 VanDerWaalsContact C-N 3.34Å; N1603-R1605 PolarHBondContact O-N 3.46Å; N1603-M1606 WeakPolarHBondContact O-CB 3.49Å; N1603-M1606 PolarHBondContact O-N 3.42Å; N1603-E1607 PolarHBondContact ND2-OE1 3.22Å; N1603-E1607 VanDerWaalsContact ND2-OE1 3.12Å; N1603-E1607 WeakPolarHBondContact O-CG 3.35Å; N1603-E1607 PolarHBondContact O-N 2.7Å |
| 1604 | Q | 91.3 | Very high | 93.2 | Very high | 90 Ų | 90 | 35.2 Ų | 35.2 | 42% | 0.421 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 177.6 | -171.3 | -173.5 | 38.3 | 0 | 0 | 112 | A1600 R1601 M1606 E1607 S1608 | A1600-Q1604 PolarHBondContact O-N 3.25Å; R1601-Q1604 PolarHBondContact O-N 3.19Å; Q1604-M1606 VanDerWaalsContact C-N 3.33Å; Q1604-M1606 PolarHBondContact O-N 3.19Å; Q1604-E1607 PolarHBondContact O-N 2.96Å; Q1604-S1608 WeakPolarHBondContact O-CB 3.43Å; Q1604-S1608 PolarHBondContact O-N 2.91Å; Q1604-S1608 PolarHBondContact O-OG 3.29Å |
| 1605 | R | 91.7 | Very high | 93.3 | Very high | 44 Ų | 44 | 33.9 Ų | 33.9 | 17% | 0.166 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 174.7 | 179.4 | 57.3 | 177.6 | 138 | 6.8 | 111.8 | F1519 R1601 L1602 N1603 S1608 S1609 E1630 | F1519-R1605 HydrophobicContact CD1-CB 4.38Å; F1519-R1605 HydrophobicContact CE1-CB 4.02Å; F1519-R1605 HydrophobicContact CZ-CB 4.42Å; R1601-R1605 PolarHBondContact O-N 2.76Å; L1602-R1605 PolarHBondContact O-N 2.54Å; N1603-R1605 VanDerWaalsContact C-N 3.34Å; N1603-R1605 PolarHBondContact O-N 3.46Å; R1605-S1608 PolarHBondContact O-OG 3.2Å; R1605-S1609 VanDerWaalsContact O-CB 3.32Å; R1605-S1609 WeakPolarHBondContact O-CB 3.28Å; R1605-S1609 PolarHBondContact O-N 3.09Å; R1605-S1609 VanDerWaalsContact O-N 3.11Å; R1605-E1630 IonicContact CZ-OE2 3.12Å; R1605-E1630 IonicContact NH2-OE1 3.66Å; R1605-E1630 PolarHBondContact NH2-OE1 3.35Å; R1605-E1630 IonicContact NH2-OE2 3.46Å; R1605-E1630 PolarHBondContact NH2-OE2 3.17Å |
| 1606 | M | 91.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.7 | -40.7 | 177.6 | -176.5 | 174.2 | 51 | 0 | 0 | 112.2 | L1131 K1134 L1135 L1602 N1603 Q1604 S1609 C1612 L1614 | L1131-M1606 HydrophobicContact CD1-CE 3.8Å; K1134-M1606 HydrophobicContact CB-CE 3.45Å; K1134-M1606 VanDerWaalsContact CB-CE 3.45Å; K1134-M1606 HydrophobicContact CB-SD 4.09Å; K1134-M1606 HydrophobicContact CD-CE 3.87Å; K1134-M1606 HydrophobicContact CG-CE 4.29Å; L1135-M1606 HydrophobicContact CD2-SD 4.31Å; L1135-M1606 HydrophobicContact CG-CE 4.5Å; L1602-M1606 WeakPolarHBondContact O-CB 3.44Å; L1602-M1606 PolarHBondContact O-N 3.32Å; N1603-M1606 WeakPolarHBondContact O-CB 3.49Å; N1603-M1606 PolarHBondContact O-N 3.42Å; Q1604-M1606 VanDerWaalsContact C-N 3.33Å; Q1604-M1606 PolarHBondContact O-N 3.19Å; M1606-S1609 PolarHBondContact O-N 3.21Å; M1606-C1612 WeakPolarHBondContact O-CA 3.41Å; M1606-L1614 HydrophobicContact CB-CD2 4.31Å |
| 1607 | E | 86.2 | Confident | 93.4 | Very high | 100 Ų | 100 | 33.4 Ų | 33.4 | 47% | 0.467 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68.4 | -36.4 | 177.7 | -74.2 | 176.3 | 170.8 | 0 | 0 | 113 | K1134 N1603 Q1604 S1609 | K1134-E1607 IonicContact NZ-OE1 3.35Å; K1134-E1607 PolarHBondContact NZ-OE1 3.18Å; N1603-E1607 PolarHBondContact ND2-OE1 3.22Å; N1603-E1607 VanDerWaalsContact ND2-OE1 3.12Å; N1603-E1607 WeakPolarHBondContact O-CG 3.35Å; N1603-E1607 PolarHBondContact O-N 2.7Å; Q1604-E1607 PolarHBondContact O-N 2.96Å; E1607-S1609 VanDerWaalsContact C-N 3.33Å |
| 1608 | S | 86.7 | Confident | 93.6 | Very high | 84 Ų | 84 | 29 Ų | 29 | 59% | 0.587 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -79.5 | -15.4 | 176.7 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | Q1604 R1605 | Q1604-S1608 WeakPolarHBondContact O-CB 3.43Å; Q1604-S1608 PolarHBondContact O-N 2.91Å; Q1604-S1608 PolarHBondContact O-OG 3.29Å; R1605-S1608 PolarHBondContact O-OG 3.2Å |
| 1609 | S | 89.6 | Confident | 93.7 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -78.6 | 135.7 | 179.5 | 178.4 | 0 | 0 | 0 | 0 | 112 | N992 R1605 M1606 E1607 W1611 C1612 | N992-S1609 PolarHBondContact ND2-O 2.91Å; R1605-S1609 VanDerWaalsContact O-CB 3.32Å; R1605-S1609 WeakPolarHBondContact O-CB 3.28Å; R1605-S1609 PolarHBondContact O-N 3.09Å; R1605-S1609 VanDerWaalsContact O-N 3.11Å; M1606-S1609 PolarHBondContact O-N 3.21Å; E1607-S1609 VanDerWaalsContact C-N 3.33Å; S1609-W1611 PolarHBondContact O-N 3.13Å; S1609-W1611 PolarHBondContact OG-N 3.13Å; S1609-W1611 VanDerWaalsContact OG-N 3.13Å; S1609-C1612 PolarHBondContact O-N 3.11Å; S1609-C1612 VanDerWaalsContact O-N 3.16Å |
| 1610 | Q | 89.3 | Confident | 93.6 | Very high | 96 Ų | 96 | 29.7 Ų | 29.7 | 45% | 0.449 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.9 | 170.8 | -67.1 | -172.4 | -7.1 | 0 | 0 | 112.3 | V983 | V983-Q1610 HydrophobicContact CG1-CB 3.96Å; V983-Q1610 HydrophobicContact CG2-CB 4.12Å; V983-Q1610 WeakPolarHBondContact CG2-O 3.19Å |
| 1611 | W | 93.4 | Very high | 93.6 | Very high | 29 Ų | 29 | 34.6 Ų | 34.6 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -12 | -178.8 | -66.1 | 84.5 | 0 | 0 | 0 | 113.6 | C960 V983 Y984 Q1141 L1178 P1179 S1609 S1613 E1630 A1631 | C960-W1611 HydrophobicContact CB-CH2 4.44Å; C960-W1611 HydrophobicContact CB-CZ3 4.39Å; V983-W1611 HydrophobicContact CB-CD2 3.98Å; V983-W1611 HydrophobicContact CB-CE3 4.34Å; V983-W1611 HydrophobicContact CB-CG 4.47Å; V983-W1611 HydrophobicContact CB-CH2 4.22Å; V983-W1611 HydrophobicContact CB-CZ2 3.89Å; V983-W1611 HydrophobicContact CB-CZ3 4.43Å; V983-W1611 HydrophobicContact CG1-CD2 4.32Å; V983-W1611 HydrophobicContact CG1-CZ2 4Å; V983-W1611 HydrophobicContact CG2-CD2 4.22Å; V983-W1611 HydrophobicContact CG2-CG 4.34Å; Y984-W1611 HydrophobicContact CD1-CZ3 4.48Å; Y984-W1611 AromaticContact CE1-CE3 3.76Å; Y984-W1611 HydrophobicContact CE1-CE3 3.76Å; Y984-W1611 AromaticContact CE1-CZ3 3.84Å; Y984-W1611 HydrophobicContact CE1-CZ3 3.84Å; Y984-W1611 HydrophobicContact CE2-CE3 4.46Å; Y984-W1611 VanDerWaalsContact CE2-O 3.31Å; Y984-W1611 WeakPolarHBondContact CE2-O 3.37Å; Y984-W1611 AromaticContact CZ-CE3 3.66Å; Y984-W1611 PolarHBondContact OH-O 3.2Å; Q1141-W1611 PolarHBondContact NE2-O 3.24Å; L1178-W1611 HydrophobicContact CB-CE3 4.18Å; L1178-W1611 HydrophobicContact CB-CH2 4.21Å; L1178-W1611 HydrophobicContact CB-CZ3 3.53Å; L1178-W1611 HydrophobicContact CD1-CZ3 4.41Å; P1179-W1611 HydrophobicContact CB-CH2 3.99Å; P1179-W1611 HydrophobicContact CG-CH2 4.14Å; P1179-W1611 HydrophobicContact CG-CZ2 4.33Å; S1609-W1611 PolarHBondContact O-N 3.13Å; S1609-W1611 PolarHBondContact OG-N 3.13Å; S1609-W1611 VanDerWaalsContact OG-N 3.13Å; W1611-S1613 PolarHBondContact O-N 3.26Å; W1611-E1630 HydrophobicContact CB-CB 4.46Å; W1611-E1630 HydrophobicContact CD2-CB 4.14Å; W1611-E1630 HydrophobicContact CG-CB 3.72Å; W1611-A1631 HydrophobicContact CB-CB 4.23Å; W1611-A1631 HydrophobicContact CD2-CB 4.4Å; W1611-A1631 HydrophobicContact CE3-CB 3.93Å |
| 1612 | C | 92 | Very high | 93.6 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 15% | 0.149 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 46.7 | 45.2 | -173.1 | -58 | 0 | 0 | 0 | 0 | 111.9 | Q988 Q1141 M1606 S1609 | Q988-C1612 PolarHBondContact NE2-SG 2.98Å; Q1141-C1612 PolarHBondContact NE2-O 3.46Å; M1606-C1612 WeakPolarHBondContact O-CA 3.41Å; S1609-C1612 PolarHBondContact O-N 3.11Å; S1609-C1612 VanDerWaalsContact O-N 3.16Å |
| 1613 | S | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -150.8 | -175.7 | -173.6 | -153.8 | 0 | 0 | 0 | 0 | 110.4 | Q1141 W1611 A1631 | Q1141-S1613 PolarHBondContact OE1-OG 3.22Å; W1611-S1613 PolarHBondContact O-N 3.26Å; S1613-A1631 VanDerWaalsContact CB-CB 3.43Å; S1613-A1631 WeakPolarHBondContact OG-CB 3.37Å |
| 1614 | L | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -111.3 | 138.2 | 177.5 | -64.5 | 178.2 | 0 | 0 | 0 | 111.1 | L1135 L1559 L1602 M1606 E1630 A1631 Q1632 V1636 I1639 | L1135-L1614 HydrophobicContact CD2-CD1 4.07Å; L1559-L1614 HydrophobicContact CD2-CB 4.1Å; L1602-L1614 HydrophobicContact CB-CD2 4.27Å; L1602-L1614 HydrophobicContact CD2-CD1 4.33Å; L1602-L1614 HydrophobicContact CD2-CD2 4Å; M1606-L1614 HydrophobicContact CB-CD2 4.31Å; L1614-E1630 CarbonylContact C-O 3.07Å; L1614-E1630 VanDerWaalsContact C-O 3.24Å; L1614-A1631 CarbonylContact O-C 3.53Å; L1614-A1631 WeakPolarHBondContact O-CA 3.36Å; L1614-Q1632 PolarHBondContact O-N 3.32Å; L1614-V1636 HydrophobicContact CB-CG2 4.16Å; L1614-V1636 HydrophobicContact CG-CG2 4.48Å; L1614-I1639 HydrophobicContact CD1-CB 4.21Å; L1614-I1639 HydrophobicContact CD1-CG1 4.02Å; L1614-I1639 HydrophobicContact CD1-CG2 4.14Å | ||
| 1615 | P | 96.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | trans | -71 | 168.1 | 179.7 | 29.6 | -35.7 | 0 | 0 | 0 | 112.7 | L1559 T1618 C1629 S1635 | L1559-P1615 HydrophobicContact CD1-CG 4.15Å; L1559-P1615 HydrophobicContact CD2-CG 3.76Å; L1559-P1615 WeakPolarHBondContact CD2-O 3.49Å; P1615-T1618 HydrophobicContact CG-CG2 4.4Å; P1615-C1629 CarbonylContact C-O 3.58Å; P1615-C1629 WeakPolarHBondContact CA-O 3.43Å; P1615-C1629 WeakPolarHBondContact CB-O 3.27Å; P1615-S1635 WeakPolarHBondContact O-CB 3.45Å; P1615-S1635 PolarHBondContact O-OG 2.82Å | ||
| 1616 | E | 97.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -69.5 | -53.1 | 170.1 | 174.1 | -175.6 | -132.4 | 0 | 0 | 110.9 | Y1552 W1558 L1559 S1628 C1629 Q1632 | Y1552-E1616 PolarHBondContact OH-OE1 3.03Å; Y1552-E1616 PolarHBondContact OH-OE2 3.25Å; W1558-E1616 HydrophobicContact CE3-CG 4.07Å; W1558-E1616 HydrophobicContact CH2-CG 4.27Å; W1558-E1616 HydrophobicContact CZ3-CG 3.9Å; L1559-E1616 PolarHBondContact N-O 3Å; E1616-S1628 WeakPolarHBondContact CB-OG 3.42Å; E1616-C1629 HydrophobicContact CB-CB 4.29Å; E1616-C1629 PolarHBondContact N-O 3.14Å; E1616-Q1632 HydrophobicContact CB-CB 4.02Å; E1616-Q1632 HydrophobicContact CB-CG 3.72Å; E1616-Q1632 HydrophobicContact CG-CG 4.25Å; E1616-Q1632 PolarHBondContact OE1-NE2 2.94Å |
| 1617 | L | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 159.1 | -178.2 | 67.7 | 81.7 | 0 | 0 | 0 | 112.4 | Y1535 Y1552 P1556 E1557 W1558 C1625 S1628 | Y1535-L1617 HydrophobicContact CD1-CD1 4.5Å; Y1552-L1617 HydrophobicContact CD2-CD2 3.86Å; Y1552-L1617 HydrophobicContact CE2-CD2 3.49Å; Y1552-L1617 VanDerWaalsContact CE2-CD2 3.49Å; P1556-L1617 HydrophobicContact CB-CD1 4.21Å; P1556-L1617 HydrophobicContact CB-CD2 4.44Å; E1557-L1617 CarbonylContact O-C 3.56Å; E1557-L1617 WeakPolarHBondContact O-CA 3.33Å; E1557-L1617 WeakPolarHBondContact O-CB 3.2Å; W1558-L1617 HydrophobicContact CD2-CB 4.36Å; W1558-L1617 HydrophobicContact CD2-CD2 4.46Å; W1558-L1617 HydrophobicContact CG-CB 4.06Å; W1558-L1617 HydrophobicContact CZ2-CD2 4Å; L1617-C1625 HydrophobicContact CD1-CB 3.61Å; L1617-C1625 VanDerWaalsContact CD1-SG 3.55Å; L1617-S1628 PolarHBondContact N-OG 3.34Å; L1617-S1628 PolarHBondContact O-OG 2.85Å |
| 1618 | T | 97.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 157.1 | 166.4 | 52.3 | 0 | 0 | 0 | 0 | 109.8 | F1519 E1557 L1559 P1615 Q1623 | F1519-T1618 HydrophobicContact CD2-CG2 4.29Å; E1557-T1618 WeakPolarHBondContact CB-OG1 3.44Å; E1557-T1618 PolarHBondContact N-O 3.45Å; E1557-T1618 PolarHBondContact O-N 3.18Å; E1557-T1618 PolarHBondContact OE2-OG1 2.99Å; L1559-T1618 HydrophobicContact CD1-CG2 4.3Å; P1615-T1618 HydrophobicContact CG-CG2 4.4Å; T1618-Q1623 WeakPolarHBondContact CA-O 3.5Å; T1618-Q1623 VanDerWaalsContact CB-O 3.29Å; T1618-Q1623 WeakPolarHBondContact CB-O 3.33Å |
| 1619 | N | 97.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -68.3 | 174.6 | 163.8 | -74.4 | -36.9 | 0 | 0 | 0 | 109.9 | G1533 Y1534 Y1535 N1621 G1622 Q1623 L1624 | G1533-N1619 CarbonylContact O-C 3.43Å; G1533-N1619 WeakPolarHBondContact O-CA 3.32Å; Y1534-N1619 WeakPolarHBondContact CA-OD1 3.3Å; Y1534-N1619 HydrophobicContact CD1-CB 4.14Å; Y1534-N1619 HydrophobicContact CE1-CB 4.5Å; Y1535-N1619 PolarHBondContact N-OD1 3.47Å; N1619-N1621 PolarHBondContact O-N 2.74Å; N1619-G1622 PolarHBondContact O-N 3.01Å; N1619-Q1623 HydrophobicContact CB-CB 3.94Å; N1619-Q1623 PolarHBondContact N-O 3.46Å; N1619-Q1623 PolarHBondContact O-N 3.15Å; N1619-L1624 PolarHBondContact ND2-O 3.42Å |
| 1620 | A | 96.3 | Very high | 95 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 7% | 0.066 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -47.2 | 136.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1533 Y1534 G1622 Q1623 | G1533-A1620 PolarHBondContact O-N 3.32Å; Y1534-A1620 HydrophobicContact CD2-CB 4.4Å; Y1534-A1620 HydrophobicContact CE2-CB 3.93Å; A1620-G1622 VanDerWaalsContact C-N 3.33Å; A1620-G1622 PolarHBondContact O-N 2.83Å; A1620-Q1623 WeakPolarHBondContact O-CG 3.44Å |
| 1621 | N | 94.9 | Very high | 95.4 | Very high | 110 Ų | 110 | 29.9 Ų | 29.9 | 59% | 0.588 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | 59.8 | 37.5 | -178.9 | -58.4 | -26.4 | 0 | 0 | 0 | 113.5 | E1557 N1619 Q1623 | E1557-N1621 PolarHBondContact OE1-N 2.78Å; N1619-N1621 PolarHBondContact O-N 2.74Å; N1621-Q1623 VanDerWaalsContact C-N 3.26Å; N1621-Q1623 PolarHBondContact O-N 3.07Å |
| 1622 | G | 93.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 28.5 Ų | 28.5 | 14% | 0.144 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | 72.4 | 12.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E1557 N1619 A1620 | E1557-G1622 PolarHBondContact OE2-N 3.33Å; N1619-G1622 PolarHBondContact O-N 3.01Å; A1620-G1622 VanDerWaalsContact C-N 3.33Å; A1620-G1622 PolarHBondContact O-N 2.83Å |
| 1623 | Q | 95.9 | Very high | 95.8 | Very high | 92 Ų | 92 | 27.5 Ų | 27.5 | 43% | 0.43 | 14% | 0.141 | S | C | . | . | B | Isolated β-bridge | trans | -65.7 | 145.1 | 179.4 | -72.4 | -174.8 | 10 | 0 | 0 | 111.8 | Y1534 T1618 N1619 A1620 N1621 C1625 | Y1534-Q1623 VanDerWaalsContact CE1-OE1 3.24Å; T1618-Q1623 WeakPolarHBondContact CA-O 3.5Å; T1618-Q1623 VanDerWaalsContact CB-O 3.29Å; T1618-Q1623 WeakPolarHBondContact CB-O 3.33Å; N1619-Q1623 HydrophobicContact CB-CB 3.94Å; N1619-Q1623 PolarHBondContact N-O 3.46Å; N1619-Q1623 PolarHBondContact O-N 3.15Å; A1620-Q1623 WeakPolarHBondContact O-CG 3.44Å; N1621-Q1623 VanDerWaalsContact C-N 3.26Å; N1621-Q1623 PolarHBondContact O-N 3.07Å; Q1623-C1625 PolarHBondContact O-N 3.49Å |
| 1624 | L | 94 | Very high | 95.9 | Very high | 111 Ų | 111 | 27.7 Ų | 27.7 | 58% | 0.581 | 14% | 0.141 | S | C | * | . | trans | -55.9 | 132.1 | 177.4 | -177.4 | 67.8 | 0 | 0 | 0 | 110.6 | N1619 E1630 | N1619-L1624 PolarHBondContact ND2-O 3.42Å; L1624-E1630 VanDerWaalsContact CD1-OE1 3.22Å; L1624-E1630 WeakPolarHBondContact CD1-OE1 3.38Å | ||
| 1625 | C | 95.1 | Very high | 96 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | trans | -109.5 | 110.6 | 171.6 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | L1617 Q1623 D1627 S1628 | L1617-C1625 HydrophobicContact CD1-CB 3.61Å; L1617-C1625 VanDerWaalsContact CD1-SG 3.55Å; Q1623-C1625 PolarHBondContact O-N 3.49Å; C1625-D1627 PolarHBondContact O-N 3.11Å; C1625-S1628 WeakPolarHBondContact O-CB 3.2Å; C1625-S1628 PolarHBondContact O-N 3.11Å | ||
| 1626 | K | 93 | Very high | 96 | Very high | 137 Ų | 137 | 27.6 Ų | 27.6 | 60% | 0.596 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -26.3 | -178.3 | 68.3 | 177.4 | -175.1 | -178.8 | 0 | 113.9 | D1536 S1538 | D1536-K1626 IonicContact OD1-NZ 3.17Å; D1536-K1626 PolarHBondContact OD1-NZ 3.38Å; D1536-K1626 IonicContact OD2-NZ 3.41Å; S1538-K1626 PolarHBondContact OG-NZ 2.87Å |
| 1627 | D | 93.7 | Very high | 96 | Very high | 44 Ų | 44 | 27.3 Ų | 27.3 | 24% | 0.235 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 4.8 | -175.7 | -62.3 | -37.9 | 0 | 0 | 0 | 112 | Y1535 D1536 N1537 C1625 | Y1535-D1627 HydrophobicContact CD1-CB 4.02Å; Y1535-D1627 HydrophobicContact CE1-CB 3.66Å; D1536-D1627 WeakPolarHBondContact CA-OD2 3.44Å; N1537-D1627 HydrophobicContact CB-CB 4.41Å; N1537-D1627 PolarHBondContact N-OD2 3.49Å; C1625-D1627 PolarHBondContact O-N 3.11Å |
| 1628 | S | 94.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -93.1 | 149.8 | 178.8 | -171.1 | 0 | 0 | 0 | 0 | 111.6 | E1616 L1617 C1625 E1630 | E1616-S1628 WeakPolarHBondContact CB-OG 3.42Å; L1617-S1628 PolarHBondContact N-OG 3.34Å; L1617-S1628 PolarHBondContact O-OG 2.85Å; C1625-S1628 WeakPolarHBondContact O-CB 3.2Å; C1625-S1628 PolarHBondContact O-N 3.11Å; S1628-E1630 PolarHBondContact O-N 2.73Å |
| 1629 | C | 95.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -64.1 | 125.2 | 161.9 | -74.8 | 0 | 0 | 0 | 0 | 109.8 | L1178 H1180 P1615 E1616 A1631 | L1178-C1629 WeakPolarHBondContact O-CB 3.48Å; H1180-C1629 PolarHBondContact CD2-SG 3.42Å; P1615-C1629 CarbonylContact C-O 3.58Å; P1615-C1629 WeakPolarHBondContact CA-O 3.43Å; P1615-C1629 WeakPolarHBondContact CB-O 3.27Å; E1616-C1629 HydrophobicContact CB-CB 4.29Å; E1616-C1629 PolarHBondContact N-O 3.14Å; C1629-A1631 VanDerWaalsContact C-N 3.32Å | ||
| 1630 | E | 94.3 | Very high | 96.1 | Very high | 30 Ų | 30 | 26.6 Ų | 26.6 | 14% | 0.14 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -81.7 | -13.4 | 178.7 | -76.6 | -74.9 | 114.7 | 0 | 0 | 113.2 | L1178 R1605 W1611 L1614 L1624 S1628 | L1178-E1630 PolarHBondContact O-N 3.49Å; R1605-E1630 IonicContact CZ-OE2 3.12Å; R1605-E1630 IonicContact NH2-OE1 3.66Å; R1605-E1630 PolarHBondContact NH2-OE1 3.35Å; R1605-E1630 IonicContact NH2-OE2 3.46Å; R1605-E1630 PolarHBondContact NH2-OE2 3.17Å; W1611-E1630 HydrophobicContact CB-CB 4.46Å; W1611-E1630 HydrophobicContact CD2-CB 4.14Å; W1611-E1630 HydrophobicContact CG-CB 3.72Å; L1614-E1630 CarbonylContact C-O 3.07Å; L1614-E1630 VanDerWaalsContact C-O 3.24Å; L1624-E1630 VanDerWaalsContact CD1-OE1 3.22Å; L1624-E1630 WeakPolarHBondContact CD1-OE1 3.38Å; S1628-E1630 PolarHBondContact O-N 2.73Å |
| 1631 | A | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 116.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | F1142 G1177 L1178 W1611 S1613 L1614 C1629 | F1142-A1631 VanDerWaalsContact CE1-C 3.48Å; F1142-A1631 HydrophobicContact CE1-CB 3.91Å; F1142-A1631 WeakPolarHBondContact CE1-O 3.44Å; F1142-A1631 HydrophobicContact CZ-CB 4.18Å; G1177-A1631 CarbonylContact C-O 3.54Å; G1177-A1631 VanDerWaalsContact CA-O 3.27Å; G1177-A1631 WeakPolarHBondContact CA-O 3.28Å; L1178-A1631 HydrophobicContact CB-CB 4.33Å; L1178-A1631 PolarHBondContact N-O 3.05Å; W1611-A1631 HydrophobicContact CB-CB 4.23Å; W1611-A1631 HydrophobicContact CD2-CB 4.4Å; W1611-A1631 HydrophobicContact CE3-CB 3.93Å; S1613-A1631 VanDerWaalsContact CB-CB 3.43Å; S1613-A1631 WeakPolarHBondContact OG-CB 3.37Å; L1614-A1631 CarbonylContact O-C 3.53Å; L1614-A1631 WeakPolarHBondContact O-CA 3.36Å; C1629-A1631 VanDerWaalsContact C-N 3.32Å |
| 1632 | Q | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 127.5 | -171.8 | -166.1 | 80.8 | -9.6 | 0 | 0 | 112.8 | F1142 A1176 L1614 E1616 W1634 S1635 V1636 | F1142-Q1632 VanDerWaalsContact CZ-C 3.45Å; A1176-Q1632 PolarHBondContact O-NE2 3.3Å; A1176-Q1632 PolarHBondContact O-OE1 3.3Å; L1614-Q1632 PolarHBondContact O-N 3.32Å; E1616-Q1632 HydrophobicContact CB-CB 4.02Å; E1616-Q1632 HydrophobicContact CB-CG 3.72Å; E1616-Q1632 HydrophobicContact CG-CG 4.25Å; E1616-Q1632 PolarHBondContact OE1-NE2 2.94Å; Q1632-W1634 VanDerWaalsContact CD-NE1 3.32Å; Q1632-W1634 HydrophobicContact CG-CG 4.36Å; Q1632-S1635 PolarHBondContact O-N 3.22Å; Q1632-V1636 PolarHBondContact O-N 3.16Å; Q1632-V1636 VanDerWaalsContact O-N 3.1Å |
| 1633 | A | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.6 | -49.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1142 A1175 A1176 S1196 C1200 S1635 V1636 G1637 | F1142-A1633 HydrophobicContact CB-CB 3.99Å; F1142-A1633 HydrophobicContact CD1-CB 4.06Å; F1142-A1633 HydrophobicContact CD2-CB 3.78Å; F1142-A1633 HydrophobicContact CE2-CB 4.29Å; F1142-A1633 HydrophobicContact CG-CB 3.65Å; A1175-A1633 VanDerWaalsContact O-CB 3.27Å; A1175-A1633 WeakPolarHBondContact O-CB 3.44Å; A1176-A1633 WeakPolarHBondContact O-CB 3.34Å; A1176-A1633 PolarHBondContact O-N 2.75Å; S1196-A1633 VanDerWaalsContact OG-C 3.31Å; C1200-A1633 PolarHBondContact SG-O 3.4Å; A1633-S1635 VanDerWaalsContact C-N 3.29Å; A1633-S1635 PolarHBondContact O-N 3.23Å; A1633-V1636 PolarHBondContact O-N 3.25Å; A1633-G1637 PolarHBondContact O-N 3.31Å |
| 1634 | W | 97.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68 | -26.7 | 179.4 | 51.9 | 4.8 | 0 | 0 | 0 | 113 | D1192 I1195 S1196 W1558 W1560 Q1632 C1638 | D1192-W1634 HydrophobicContact CB-CD2 4.5Å; D1192-W1634 HydrophobicContact CB-CE3 4.45Å; I1195-W1634 HydrophobicContact CB-CB 4.24Å; I1195-W1634 HydrophobicContact CB-CE3 4.33Å; I1195-W1634 HydrophobicContact CD1-CE3 3.6Å; I1195-W1634 HydrophobicContact CD1-CZ3 3.85Å; I1195-W1634 HydrophobicContact CG2-CB 3.67Å; I1195-W1634 HydrophobicContact CG2-CE3 4.2Å; S1196-W1634 WeakPolarHBondContact OG-CA 3.47Å; S1196-W1634 WeakPolarHBondContact OG-CB 3.29Å; S1196-W1634 PolarHBondContact OG-N 3.01Å; W1558-W1634 HydrophobicContact CE3-CH2 4.47Å; W1558-W1634 HydrophobicContact CE3-CZ2 4.28Å; W1558-W1634 HydrophobicContact CH2-CH2 4.29Å; W1558-W1634 HydrophobicContact CH2-CZ2 4.24Å; W1558-W1634 AromaticContact CZ3-CH2 3.54Å; W1558-W1634 HydrophobicContact CZ3-CH2 3.54Å; W1558-W1634 AromaticContact CZ3-CZ2 3.41Å; W1558-W1634 HydrophobicContact CZ3-CZ2 3.41Å; W1558-W1634 VanDerWaalsContact CZ3-CZ2 3.41Å; W1558-W1634 HydrophobicContact CZ3-CZ3 4.46Å; W1560-W1634 HydrophobicContact CB-CB 4.03Å; W1560-W1634 HydrophobicContact CB-CD2 4.38Å; W1560-W1634 HydrophobicContact CB-CG 3.96Å; W1560-W1634 WeakPolarHBondContact CB-O 3.5Å; W1560-W1634 AromaticContact CD1-CD2 3.62Å; W1560-W1634 AromaticContact CD1-CE2 3.89Å; W1560-W1634 AromaticContact CD1-CE3 3.7Å; W1560-W1634 HydrophobicContact CD2-CD2 4.46Å; W1560-W1634 HydrophobicContact CD2-CE3 4.04Å; W1560-W1634 AromaticContact CE2-CE3 3.86Å; W1560-W1634 AromaticContact CE2-CZ3 4Å; W1560-W1634 HydrophobicContact CG-CB 4.37Å; W1560-W1634 AromaticContact CG-CD2 3.93Å; W1560-W1634 HydrophobicContact CG-CD2 3.93Å; W1560-W1634 AromaticContact CG-CE3 3.99Å; W1560-W1634 HydrophobicContact CG-CE3 3.99Å; W1560-W1634 HydrophobicContact CG-CG 4.03Å; W1560-W1634 HydrophobicContact CZ2-CE3 4.45Å; W1560-W1634 HydrophobicContact CZ2-CZ3 4.35Å; W1560-W1634 AromaticContact NE1-CE3 3.66Å; W1560-W1634 AromaticContact NE1-CZ3 3.67Å; Q1632-W1634 VanDerWaalsContact CD-NE1 3.32Å; Q1632-W1634 HydrophobicContact CG-CG 4.36Å; W1634-C1638 WeakPolarHBondContact O-CB 3.33Å; W1634-C1638 PolarHBondContact O-N 2.79Å; W1634-C1638 PolarHBondContact O-SG 2.83Å |
| 1635 | S | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.5 | -52.4 | 175.6 | -63.3 | 0 | 0 | 0 | 0 | 108.9 | P1615 Q1632 A1633 G1637 I1639 | P1615-S1635 WeakPolarHBondContact O-CB 3.45Å; P1615-S1635 PolarHBondContact O-OG 2.82Å; Q1632-S1635 PolarHBondContact O-N 3.22Å; A1633-S1635 VanDerWaalsContact C-N 3.29Å; A1633-S1635 PolarHBondContact O-N 3.23Å; S1635-G1637 PolarHBondContact O-N 2.81Å; S1635-I1639 VanDerWaalsContact O-CB 3.32Å; S1635-I1639 WeakPolarHBondContact O-CB 3.3Å; S1635-I1639 WeakPolarHBondContact O-CG1 3.04Å; S1635-I1639 PolarHBondContact O-N 2.95Å; S1635-I1639 VanDerWaalsContact O-N 3.09Å |
| 1636 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | 177.3 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | L1135 A1138 T1139 F1142 L1614 Q1632 A1633 I1639 L1640 | L1135-V1636 HydrophobicContact CD2-CG1 4.13Å; A1138-V1636 HydrophobicContact CB-CG1 4.05Å; A1138-V1636 HydrophobicContact CB-CG2 4.36Å; T1139-V1636 HydrophobicContact CG2-CG1 3.87Å; F1142-V1636 HydrophobicContact CE2-CB 4.04Å; F1142-V1636 HydrophobicContact CE2-CG1 4.47Å; F1142-V1636 HydrophobicContact CE2-CG2 3.92Å; F1142-V1636 HydrophobicContact CZ-CG2 4.07Å; L1614-V1636 HydrophobicContact CB-CG2 4.16Å; L1614-V1636 HydrophobicContact CG-CG2 4.48Å; Q1632-V1636 PolarHBondContact O-N 3.16Å; Q1632-V1636 VanDerWaalsContact O-N 3.1Å; A1633-V1636 PolarHBondContact O-N 3.25Å; V1636-I1639 PolarHBondContact O-N 2.72Å; V1636-L1640 WeakPolarHBondContact O-CB 3.32Å; V1636-L1640 PolarHBondContact O-N 2.81Å |
| 1637 | G | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -58.6 | -56.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1633 S1635 I1639 L1640 E1641 | A1633-G1637 PolarHBondContact O-N 3.31Å; S1635-G1637 PolarHBondContact O-N 2.81Å; G1637-I1639 VanDerWaalsContact C-N 3.32Å; G1637-I1639 PolarHBondContact O-N 3.29Å; G1637-L1640 PolarHBondContact O-N 3.25Å; G1637-E1641 VanDerWaalsContact O-CG 3.31Å; G1637-E1641 WeakPolarHBondContact O-CG 3.46Å; G1637-E1641 PolarHBondContact O-N 2.96Å |
| 1638 | C | 98.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 1% | 0.007 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64.7 | -34.6 | -177.7 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | W1560 G1563 W1634 E1641 A1642 | W1560-C1638 HydrophobicContact CB-CB 4.31Å; W1560-C1638 VanDerWaalsContact O-CB 3.28Å; W1560-C1638 WeakPolarHBondContact O-CB 3.13Å; G1563-C1638 WeakPolarHBondContact CA-O 3.2Å; W1634-C1638 WeakPolarHBondContact O-CB 3.33Å; W1634-C1638 PolarHBondContact O-N 2.79Å; W1634-C1638 PolarHBondContact O-SG 2.83Å; C1638-E1641 WeakPolarHBondContact O-CB 3.05Å; C1638-E1641 PolarHBondContact O-N 2.58Å; C1638-A1642 PolarHBondContact O-N 2.69Å; C1638-A1642 VanDerWaalsContact O-N 3.08Å |
| 1639 | I | 98.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -68.9 | -41.8 | 175.3 | -69.4 | -57.9 | 0 | 0 | 0 | 111.2 | L1135 T1562 F1599 L1602 L1614 S1635 V1636 G1637 E1641 A1642 L1643 | L1135-I1639 HydrophobicContact CD1-CG2 3.96Å; L1135-I1639 HydrophobicContact CD2-CG2 4.29Å; T1562-I1639 HydrophobicContact CG2-CD1 4.2Å; F1599-I1639 HydrophobicContact CD1-CG2 4.07Å; F1599-I1639 HydrophobicContact CE1-CG2 3.91Å; L1602-I1639 HydrophobicContact CD1-CD1 3.59Å; L1602-I1639 HydrophobicContact CD1-CG1 4.03Å; L1602-I1639 HydrophobicContact CD1-CG2 3.96Å; L1614-I1639 HydrophobicContact CD1-CB 4.21Å; L1614-I1639 HydrophobicContact CD1-CG1 4.02Å; L1614-I1639 HydrophobicContact CD1-CG2 4.14Å; S1635-I1639 VanDerWaalsContact O-CB 3.32Å; S1635-I1639 WeakPolarHBondContact O-CB 3.3Å; S1635-I1639 WeakPolarHBondContact O-CG1 3.04Å; S1635-I1639 PolarHBondContact O-N 2.95Å; S1635-I1639 VanDerWaalsContact O-N 3.09Å; V1636-I1639 PolarHBondContact O-N 2.72Å; G1637-I1639 VanDerWaalsContact C-N 3.32Å; G1637-I1639 PolarHBondContact O-N 3.29Å; I1639-E1641 VanDerWaalsContact C-N 3.25Å; I1639-E1641 PolarHBondContact O-N 3.43Å; I1639-A1642 PolarHBondContact O-N 3.19Å; I1639-L1643 WeakPolarHBondContact O-CB 3.46Å; I1639-L1643 PolarHBondContact O-N 3.46Å |
| 1640 | L | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.8 | -35.7 | 175.5 | -173 | 61.7 | 0 | 0 | 0 | 111.6 | W1124 V1132 L1135 T1139 G1199 T1204 V1636 G1637 L1643 Y1644 | W1124-L1640 HydrophobicContact CH2-CD1 3.65Å; W1124-L1640 HydrophobicContact CH2-CG 4.13Å; W1124-L1640 HydrophobicContact CZ2-CD1 4.27Å; W1124-L1640 HydrophobicContact CZ2-CG 4.39Å; V1132-L1640 HydrophobicContact CG1-CD1 4.37Å; L1135-L1640 HydrophobicContact CB-CD1 3.96Å; L1135-L1640 HydrophobicContact CD1-CD1 4.37Å; T1139-L1640 HydrophobicContact CG2-CD2 4.08Å; G1199-L1640 WeakPolarHBondContact O-CD2 3.25Å; T1204-L1640 HydrophobicContact CG2-CD2 4.01Å; V1636-L1640 WeakPolarHBondContact O-CB 3.32Å; V1636-L1640 PolarHBondContact O-N 2.81Å; G1637-L1640 PolarHBondContact O-N 3.25Å; L1640-L1643 PolarHBondContact O-N 3.24Å; L1640-Y1644 PolarHBondContact O-N 2.92Å |
| 1641 | E | 97 | Very high | 89.4 | Confident | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.009 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 173 | -71 | -176.2 | -141.5 | 0 | 0 | 113.2 | R1198 G1199 L1203 R1567 G1637 C1638 I1639 L1643 Y1644 D1645 | R1198-E1641 WeakPolarHBondContact CB-OE1 3.27Å; R1198-E1641 VanDerWaalsContact CD-OE2 3.22Å; R1198-E1641 WeakPolarHBondContact CD-OE2 3.32Å; R1198-E1641 HydrophobicContact CG-CG 4.09Å; R1198-E1641 IonicContact CZ-OE2 3.14Å; R1198-E1641 IonicContact NE-OE2 3.73Å; R1198-E1641 VanDerWaalsContact NH1-CB 3.25Å; R1198-E1641 VanDerWaalsContact NH1-CD 3.29Å; R1198-E1641 IonicContact NH1-OE2 2.73Å; R1198-E1641 PolarHBondContact NH1-OE2 2.82Å; G1199-E1641 PolarHBondContact N-OE1 2.93Å; L1203-E1641 HydrophobicContact CD1-CB 4.19Å; L1203-E1641 HydrophobicContact CD1-CG 3.64Å; R1567-E1641 IonicContact CZ-OE2 3.46Å; R1567-E1641 IonicContact NH1-OE2 3.3Å; R1567-E1641 PolarHBondContact NH1-OE2 3.05Å; R1567-E1641 IonicContact NH2-OE2 2.75Å; G1637-E1641 VanDerWaalsContact O-CG 3.31Å; G1637-E1641 WeakPolarHBondContact O-CG 3.46Å; G1637-E1641 PolarHBondContact O-N 2.96Å; C1638-E1641 WeakPolarHBondContact O-CB 3.05Å; C1638-E1641 PolarHBondContact O-N 2.58Å; I1639-E1641 VanDerWaalsContact C-N 3.25Å; I1639-E1641 PolarHBondContact O-N 3.43Å; E1641-L1643 VanDerWaalsContact C-N 3.32Å; E1641-Y1644 PolarHBondContact O-N 3.49Å; E1641-D1645 PolarHBondContact O-N 3.48Å; E1641-D1645 VanDerWaalsContact O-N 3.12Å |
| 1642 | A | 97.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.1 | -38.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1566 R1567 F1599 C1638 I1639 D1645 L1646 | L1566-A1642 HydrophobicContact CB-CB 3.97Å; L1566-A1642 HydrophobicContact CD1-CB 4.33Å; R1567-A1642 HydrophobicContact CG-CB 3.77Å; F1599-A1642 HydrophobicContact CE1-CB 4.13Å; F1599-A1642 HydrophobicContact CZ-CB 3.66Å; C1638-A1642 PolarHBondContact O-N 2.69Å; C1638-A1642 VanDerWaalsContact O-N 3.08Å; I1639-A1642 PolarHBondContact O-N 3.19Å; A1642-D1645 PolarHBondContact O-N 3.03Å; A1642-L1646 PolarHBondContact O-N 3.31Å |
| 1643 | L | 95.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.6 | -38.4 | 177.6 | -170.6 | 54.4 | 0 | 0 | 0 | 111.7 | F78 L1131 V1132 L1135 F1599 I1639 L1640 E1641 D1645 L1646 I1647 | F78-L1643 HydrophobicContact CE2-CD1 3.74Å; F78-L1643 HydrophobicContact CZ-CD1 4.11Å; L1131-L1643 HydrophobicContact CD2-CD2 4.19Å; L1131-L1643 HydrophobicContact CG-CD2 4.03Å; V1132-L1643 HydrophobicContact CB-CD2 4.38Å; V1132-L1643 HydrophobicContact CG2-CD2 3.41Å; V1132-L1643 VanDerWaalsContact CG2-CD2 3.41Å; V1132-L1643 HydrophobicContact CG2-CG 3.84Å; L1135-L1643 HydrophobicContact CD1-CD2 3.8Å; F1599-L1643 HydrophobicContact CD1-CD1 4.49Å; F1599-L1643 HydrophobicContact CD2-CD1 3.76Å; F1599-L1643 HydrophobicContact CE1-CB 4.09Å; F1599-L1643 HydrophobicContact CE2-CB 4.36Å; F1599-L1643 HydrophobicContact CE2-CD1 3.86Å; F1599-L1643 HydrophobicContact CG-CD1 4.12Å; F1599-L1643 HydrophobicContact CZ-CB 3.97Å; F1599-L1643 HydrophobicContact CZ-CD1 4.29Å; I1639-L1643 WeakPolarHBondContact O-CB 3.46Å; I1639-L1643 PolarHBondContact O-N 3.46Å; L1640-L1643 PolarHBondContact O-N 3.24Å; E1641-L1643 VanDerWaalsContact C-N 3.32Å; L1643-D1645 VanDerWaalsContact C-N 3.34Å; L1643-D1645 PolarHBondContact O-N 2.84Å; L1643-L1646 HydrophobicContact CD1-CD2 4.17Å; L1643-L1646 WeakPolarHBondContact O-CB 3.24Å; L1643-L1646 PolarHBondContact O-N 3.19Å; L1643-I1647 HydrophobicContact CD1-CD1 4.14Å; L1643-I1647 HydrophobicContact CD1-CG1 4.5Å; L1643-I1647 HydrophobicContact CG-CD1 4.14Å; L1643-I1647 VanDerWaalsContact O-CG1 3.3Å; L1643-I1647 WeakPolarHBondContact O-CG1 3.31Å; L1643-I1647 PolarHBondContact O-N 2.94Å; L1643-I1647 VanDerWaalsContact O-N 3.12Å |
| 1644 | Y | 94.5 | Very high | 85 | Confident | 60 Ų | 60 | 34.7 Ų | 34.7 | 24% | 0.235 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 171.2 | 180 | -95.4 | 0 | 0 | 0 | 112 | W1124 L1203 L1640 E1641 L1646 I1647 F1648 | W1124-Y1644 AromaticContact CD1-CE2 3.99Å; W1124-Y1644 AromaticContact CD2-CD2 3.65Å; W1124-Y1644 HydrophobicContact CD2-CD2 3.65Å; W1124-Y1644 HydrophobicContact CD2-CE2 4.04Å; W1124-Y1644 AromaticContact CE2-CD2 3.52Å; W1124-Y1644 HydrophobicContact CE3-CD2 4Å; W1124-Y1644 HydrophobicContact CG-CD2 4.14Å; W1124-Y1644 HydrophobicContact CG-CE2 4.02Å; W1124-Y1644 HydrophobicContact CH2-CD2 4.03Å; W1124-Y1644 AromaticContact CZ2-CD2 3.77Å; W1124-Y1644 HydrophobicContact CZ2-CD2 3.77Å; W1124-Y1644 HydrophobicContact CZ2-CG 4.42Å; W1124-Y1644 HydrophobicContact CZ3-CD2 4.14Å; W1124-Y1644 AromaticContact NE1-CD2 3.93Å; L1203-Y1644 HydrophobicContact CD1-CG 4.3Å; L1203-Y1644 HydrophobicContact CD2-CD1 3.9Å; L1203-Y1644 HydrophobicContact CD2-CD2 3.74Å; L1203-Y1644 HydrophobicContact CD2-CE1 4.15Å; L1203-Y1644 HydrophobicContact CD2-CE2 4Å; L1203-Y1644 HydrophobicContact CD2-CG 3.67Å; L1640-Y1644 PolarHBondContact O-N 2.92Å; E1641-Y1644 PolarHBondContact O-N 3.49Å; Y1644-L1646 VanDerWaalsContact C-N 3.33Å; Y1644-L1646 PolarHBondContact O-N 3.48Å; Y1644-I1647 PolarHBondContact O-N 3.47Å; Y1644-F1648 AromaticContact CD2-CD2 3.9Å; Y1644-F1648 HydrophobicContact CD2-CD2 3.9Å; Y1644-F1648 HydrophobicContact CE2-CB 4.21Å; Y1644-F1648 AromaticContact CE2-CD2 3.93Å; Y1644-F1648 HydrophobicContact CE2-CD2 3.93Å; Y1644-F1648 HydrophobicContact CE2-CG 4.25Å; Y1644-F1648 PolarHBondContact O-N 2.86Å |
| 1645 | D | 94.2 | Very high | 84.3 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.8 | -30.8 | 178.6 | -70.2 | -12.9 | 0 | 0 | 0 | 112.2 | R1567 L1570 R1574 E1641 A1642 L1643 T1649 | R1567-D1645 HydrophobicContact CG-CB 4.42Å; R1567-D1645 WeakPolarHBondContact CG-OD2 3.46Å; R1567-D1645 IonicContact CZ-OD2 3.07Å; R1567-D1645 IonicContact NE-OD2 2.92Å; R1567-D1645 PolarHBondContact NE-OD2 2.95Å; R1567-D1645 IonicContact NH2-OD2 3.36Å; L1570-D1645 HydrophobicContact CD1-CB 4.27Å; R1574-D1645 PolarHBondContact NH2-O 3.25Å; E1641-D1645 PolarHBondContact O-N 3.48Å; E1641-D1645 VanDerWaalsContact O-N 3.12Å; A1642-D1645 PolarHBondContact O-N 3.03Å; L1643-D1645 VanDerWaalsContact C-N 3.34Å; L1643-D1645 PolarHBondContact O-N 2.84Å; D1645-T1649 VanDerWaalsContact C-OG1 3.31Å; D1645-T1649 VanDerWaalsContact CA-OG1 3.22Å; D1645-T1649 WeakPolarHBondContact CA-OG1 3.36Å; D1645-T1649 PolarHBondContact O-OG1 3.22Å |
| 1646 | L | 93.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 172.3 | -179.3 | 66.8 | 0 | 0 | 0 | 111.7 | S75 F78 L1570 T1592 C1595 Q1596 F1599 A1642 L1643 Y1644 | S75-L1646 PolarHBondContact OG-O 3.48Å; F78-L1646 HydrophobicContact CZ-CD2 4.46Å; L1570-L1646 HydrophobicContact CD1-CB 4.16Å; L1570-L1646 HydrophobicContact CD1-CD1 4.48Å; L1570-L1646 HydrophobicContact CD2-CD1 4Å; T1592-L1646 HydrophobicContact CG2-CD1 3.94Å; C1595-L1646 HydrophobicContact CB-CD1 3.84Å; C1595-L1646 HydrophobicContact CB-CD2 4.08Å; C1595-L1646 HydrophobicContact CB-CG 4.5Å; Q1596-L1646 HydrophobicContact CG-CD2 4.2Å; F1599-L1646 HydrophobicContact CD2-CD2 3.7Å; F1599-L1646 HydrophobicContact CE2-CB 4.2Å; F1599-L1646 HydrophobicContact CE2-CD2 3.63Å; F1599-L1646 HydrophobicContact CE2-CG 4.47Å; A1642-L1646 PolarHBondContact O-N 3.31Å; L1643-L1646 HydrophobicContact CD1-CD2 4.17Å; L1643-L1646 WeakPolarHBondContact O-CB 3.24Å; L1643-L1646 PolarHBondContact O-N 3.19Å; Y1644-L1646 VanDerWaalsContact C-N 3.33Å; Y1644-L1646 PolarHBondContact O-N 3.48Å |
| 1647 | I | 91.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -85.3 | -48.4 | -171.5 | -59.7 | 170.2 | 0 | 0 | 0 | 112.2 | T71 K73 D76 V1132 L1643 Y1644 | T71-I1647 HydrophobicContact CG2-CG2 4.48Å; K73-I1647 HydrophobicContact CB-CG2 4.28Å; K73-I1647 HydrophobicContact CG-CG2 4.27Å; D76-I1647 HydrophobicContact CB-CD1 3.98Å; D76-I1647 HydrophobicContact CB-CG1 4.03Å; D76-I1647 HydrophobicContact CB-CG2 4.46Å; V1132-I1647 HydrophobicContact CG2-CD1 3.92Å; L1643-I1647 HydrophobicContact CD1-CD1 4.14Å; L1643-I1647 HydrophobicContact CD1-CG1 4.5Å; L1643-I1647 HydrophobicContact CG-CD1 4.14Å; L1643-I1647 VanDerWaalsContact O-CG1 3.3Å; L1643-I1647 WeakPolarHBondContact O-CG1 3.31Å; L1643-I1647 PolarHBondContact O-N 2.94Å; L1643-I1647 VanDerWaalsContact O-N 3.12Å; Y1644-I1647 PolarHBondContact O-N 3.47Å |
| 1648 | F | 83.2 | Confident | 81.6 | Confident | 64 Ų | 64 | 43.7 Ų | 43.7 | 28% | 0.281 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -22.6 | -164.5 | -70.5 | -77.5 | 0 | 0 | 0 | 115.3 | T71 W1124 Y1644 Q1650 | T71-F1648 HydrophobicContact CG2-CE1 4.44Å; T71-F1648 HydrophobicContact CG2-CZ 3.78Å; W1124-F1648 HydrophobicContact CB-CD2 4.34Å; W1124-F1648 HydrophobicContact CB-CE1 4.43Å; W1124-F1648 HydrophobicContact CB-CE2 3.64Å; W1124-F1648 HydrophobicContact CB-CZ 3.68Å; W1124-F1648 HydrophobicContact CD2-CE2 4.14Å; W1124-F1648 HydrophobicContact CE3-CD2 4.18Å; W1124-F1648 AromaticContact CE3-CE2 3.64Å; W1124-F1648 HydrophobicContact CE3-CE2 3.64Å; W1124-F1648 HydrophobicContact CG-CE2 4.2Å; Y1644-F1648 AromaticContact CD2-CD2 3.9Å; Y1644-F1648 HydrophobicContact CD2-CD2 3.9Å; Y1644-F1648 HydrophobicContact CE2-CB 4.21Å; Y1644-F1648 AromaticContact CE2-CD2 3.93Å; Y1644-F1648 HydrophobicContact CE2-CD2 3.93Å; Y1644-F1648 HydrophobicContact CE2-CG 4.25Å; Y1644-F1648 PolarHBondContact O-N 2.86Å; F1648-Q1650 PolarHBondContact O-N 2.93Å |
| 1649 | T | 67.5 | Low | 80.4 | Confident | 49 Ų | 49 | 46.7 Ų | 46.7 | 30% | 0.301 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -83.3 | 13.7 | -179.3 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | R1574 D1645 N1651 | R1574-T1649 VanDerWaalsContact NH1-C 3.32Å; R1574-T1649 VanDerWaalsContact NH1-CB 3.27Å; R1574-T1649 PolarHBondContact NH1-O 3.17Å; R1574-T1649 PolarHBondContact NH1-OG1 3.11Å; D1645-T1649 VanDerWaalsContact C-OG1 3.31Å; D1645-T1649 VanDerWaalsContact CA-OG1 3.22Å; D1645-T1649 WeakPolarHBondContact CA-OG1 3.36Å; D1645-T1649 PolarHBondContact O-OG1 3.22Å; T1649-N1651 VanDerWaalsContact C-N 3.26Å; T1649-N1651 PolarHBondContact O-N 3.32Å |
| 1650 | Q | 52.3 | Low | 79 | Confident | 78 Ų | 78 | 50.2 Ų | 50.2 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -71.8 | -12.9 | 170.6 | -69.4 | -170.7 | -15.6 | 0 | 0 | 114.4 | F1648 | F1648-Q1650 PolarHBondContact O-N 2.93Š|
| 1651 | N | 34.7 | Very low | 77.5 | Confident | 125 Ų | 125 | 54.4 Ų | 54.4 | 67% | 0.668 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -114.6 | 19.6 | -165.6 | -90.5 | 10.1 | 0 | 0 | 0 | 115.6 | K73 T1649 | K73-N1651 PolarHBondContact NZ-ND2 2.87Å; T1649-N1651 VanDerWaalsContact C-N 3.26Å; T1649-N1651 PolarHBondContact O-N 3.32Å |
| 1652 | K | 29.3 | Very low | 75.8 | Confident | 255 Ų | 255 | 59.2 Ų | 59.2 | 100% | 1.109 | 28% | 0.279 | S | S | * | . | trans | -115.2 | 0 | 169.2 | -88.7 | -168.5 | 176.5 | -177.3 | 0 | 111.9 |
Retrieved 1,652 of 1,652 residues in 2478.3 ms
(Link to these results)