| 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 | 34.6 | Very low | 41 | Very low | 93 Ų | 93 | 85.5 Ų | 85.5 | 46% | 0.458 | 44% | 0.435 | S | S | . | . | 0 | 107.3 | 0 | -76.5 | 175.9 | 65.5 | 0 | 0 | 107.2 | V3 E984 F1031 P1094 | M1-V3 HydrophobicContact CB-CG2 4.34Å; M1-V3 HydrophobicContact CE-CG2 3.3Å; M1-E984 WeakPolarHBondContact CA-OE1 3.44Å; M1-E984 PolarHBondContact N-OE1 3.18Å; M1-F1031 HydrophobicContact SD-CE1 4.28Å; M1-F1031 HydrophobicContact SD-CZ 4.37Å; M1-P1094 HydrophobicContact CG-CG 4.46Å; M1-P1094 HydrophobicContact SD-CB 4.4Å; M1-P1094 HydrophobicContact SD-CG 3.88Å | |||
| 2 | V | 28.7 | Very low | 42.7 | Very low | 111 Ų | 111 | 79.8 Ų | 79.8 | 67% | 0.673 | 41% | 0.408 | S | S | * | . | trans | -99.3 | 99.4 | 145.3 | -179.9 | 0 | 0 | 0 | 0 | 103.1 | Q4 | V2-Q4 HydrophobicContact CG1-CG 3.98Å; V2-Q4 PolarHBondContact O-N 3.21Å | ||
| 3 | V | 34 | Very low | 45 | Very low | 73 Ų | 73 | 81 Ų | 81 | 44% | 0.442 | 42% | 0.416 | S | S | . | . | trans | -71.5 | 92.1 | 167.6 | -175.4 | 0 | 0 | 0 | 0 | 103.8 | M1 M5 | M1-V3 HydrophobicContact CB-CG2 4.34Å; M1-V3 HydrophobicContact CE-CG2 3.3Å; V3-M5 HydrophobicContact CB-CG 4.3Å; V3-M5 HydrophobicContact CG1-CG 3.49Å; V3-M5 VanDerWaalsContact CG1-CG 3.49Å; V3-M5 HydrophobicContact CG1-SD 4.46Å; V3-M5 PolarHBondContact O-N 3.41Å | ||
| 4 | Q | 33.2 | Very low | 47 | Very low | 160 Ų | 160 | 80.3 Ų | 80.3 | 75% | 0.748 | 42% | 0.421 | S | S | * | . | trans | -65.5 | 82.9 | 167.1 | -86.2 | -176.4 | -37.8 | 0 | 0 | 106.8 | V2 E6 | V2-Q4 HydrophobicContact CG1-CG 3.98Å; V2-Q4 PolarHBondContact O-N 3.21Å; Q4-E6 PolarHBondContact O-N 3.38Å | ||
| 5 | M | 33.8 | Very low | 49.1 | Very low | 42 Ų | 42 | 78.5 Ų | 78.5 | 21% | 0.207 | 42% | 0.419 | C | S | . | . | trans | -69.8 | 79.6 | 167.5 | -63.4 | -167.5 | 89.6 | 0 | 0 | 106.5 | V3 N7 T11 | V3-M5 HydrophobicContact CB-CG 4.3Å; V3-M5 HydrophobicContact CG1-CG 3.49Å; V3-M5 VanDerWaalsContact CG1-CG 3.49Å; V3-M5 HydrophobicContact CG1-SD 4.46Å; V3-M5 PolarHBondContact O-N 3.41Å; M5-N7 PolarHBondContact O-N 3.08Å; M5-T11 HydrophobicContact CE-CG2 3.75Å | ||
| 6 | E | 42.9 | Very low | 51.2 | Low | 182 Ų | 182 | 73.8 Ų | 73.8 | 85% | 0.85 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -61 | -11.1 | 171.1 | -79.4 | -165.3 | 155.5 | 0 | 0 | 111.8 | Q4 | Q4-E6 PolarHBondContact O-N 3.38Š|
| 7 | N | 44.8 | Very low | 53 | Low | 80 Ų | 80 | 71.9 Ų | 71.9 | 43% | 0.428 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -139 | 104 | 163.1 | -146.8 | -24.5 | 0 | 0 | 0 | 110.4 | M5 L9 R10 | M5-N7 PolarHBondContact O-N 3.08Å; N7-L9 PolarHBondContact O-N 3.33Å; N7-R10 HydrophobicContact CB-CG 4.39Å; N7-R10 PolarHBondContact O-N 3.3Å |
| 8 | P | 44.9 | Very low | 54.7 | Low | 7 Ų | 7 | 76.8 Ų | 76.8 | 5% | 0.045 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -55.6 | -23.6 | -177.2 | 15 | -26.3 | 0 | 0 | 0 | 113.2 | R10 I64 S87 A124 | P8-R10 PolarHBondContact O-N 2.76Å; P8-I64 HydrophobicContact CG-CG2 3.73Å; P8-S87 VanDerWaalsContact C-OG 3.24Å; P8-S87 WeakPolarHBondContact CA-OG 3.25Å; P8-S87 WeakPolarHBondContact CB-OG 3.49Å; P8-S87 WeakPolarHBondContact O-CB 3.44Å; P8-S87 PolarHBondContact O-OG 3.48Å; P8-A124 HydrophobicContact CB-CB 3.66Å; P8-A124 HydrophobicContact CG-CB 4.13Å |
| 9 | L | 52.3 | Low | 56.4 | Low | 23 Ų | 23 | 72.8 Ų | 72.8 | 12% | 0.12 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -81.7 | -4 | -172.2 | -60.4 | 168.8 | 0 | 0 | 0 | 116.4 | N7 T11 V12 L17 L62 I64 A124 | N7-L9 PolarHBondContact O-N 3.33Å; L9-T11 PolarHBondContact O-N 3.06Å; L9-V12 WeakPolarHBondContact O-CB 3.43Å; L9-V12 PolarHBondContact O-N 2.9Å; L9-L17 HydrophobicContact CB-CD1 4Å; L9-L17 HydrophobicContact CB-CD2 4.13Å; L9-L17 HydrophobicContact CD1-CD1 3.95Å; L9-L17 HydrophobicContact CD2-CD1 3.66Å; L9-L17 HydrophobicContact CG-CD1 4.07Å; L9-L62 HydrophobicContact CD1-CD2 4.14Å; L9-L62 HydrophobicContact CD2-CD1 3.74Å; L9-L62 HydrophobicContact CD2-CD2 3.77Å; L9-L62 HydrophobicContact CD2-CG 4.19Å; L9-I64 HydrophobicContact CD1-CD1 3.58Å; L9-I64 HydrophobicContact CD1-CG1 4.39Å; L9-I64 HydrophobicContact CG-CD1 4.24Å; L9-A124 HydrophobicContact CD2-CB 3.32Å; L9-A124 HydrophobicContact CG-CB 4.07Å |
| 10 | R | 50.7 | Low | 57.9 | Low | 94 Ų | 94 | 69.5 Ų | 69.5 | 36% | 0.355 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -71.4 | -26.4 | -169.2 | -85.5 | -169.7 | -177 | 166.2 | 8.5 | 116 | N7 P8 V12 E1211 | N7-R10 HydrophobicContact CB-CG 4.39Å; N7-R10 PolarHBondContact O-N 3.3Å; P8-R10 PolarHBondContact O-N 2.76Å; R10-V12 VanDerWaalsContact C-N 3.25Å; R10-V12 PolarHBondContact O-N 3.17Å; R10-E1211 WeakPolarHBondContact CD-OE2 3.32Å; R10-E1211 IonicContact CZ-OE2 2.78Å; R10-E1211 IonicContact NE-OE2 3.63Å; R10-E1211 IonicContact NH1-OE2 2.69Å; R10-E1211 PolarHBondContact NH1-OE2 3.44Å |
| 11 | T | 50.7 | Low | 59.2 | Low | 75 Ų | 75 | 70.4 Ų | 70.4 | 46% | 0.46 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -81.1 | -6.9 | 179.5 | 45.9 | 0 | 0 | 0 | 0 | 113.2 | M5 L9 | M5-T11 HydrophobicContact CE-CG2 3.75Å; L9-T11 PolarHBondContact O-N 3.06Å |
| 12 | V | 62.3 | Low | 61.6 | Low | 18 Ų | 18 | 69.1 Ų | 69.1 | 11% | 0.109 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -88.6 | 139.5 | -171.9 | -170.1 | 0 | 0 | 0 | 0 | 110.4 | L9 R10 S14 L16 L86 | L9-V12 WeakPolarHBondContact O-CB 3.43Å; L9-V12 PolarHBondContact O-N 2.9Å; R10-V12 VanDerWaalsContact C-N 3.25Å; R10-V12 PolarHBondContact O-N 3.17Å; V12-S14 PolarHBondContact O-N 3.17Å; V12-L16 HydrophobicContact CG1-CB 4.36Å; V12-L16 HydrophobicContact CG1-CD2 3.67Å; V12-L16 HydrophobicContact CG1-CG 4.12Å; V12-L86 HydrophobicContact CG1-CD1 4.2Å; V12-L86 HydrophobicContact CG1-CD2 4.31Å; V12-L86 HydrophobicContact CG2-CB 3.76Å; V12-L86 HydrophobicContact CG2-CD1 4.09Å; V12-L86 HydrophobicContact CG2-CD2 4.4Å; V12-L86 HydrophobicContact CG2-CG 4.31Å |
| 13 | D | 72.1 | Confident | 64.2 | Low | 95 Ų | 95 | 68.4 Ų | 68.4 | 51% | 0.508 | 36% | 0.356 | S | S | . | . | trans | -51.6 | 127.3 | 175.5 | -172.3 | -29.8 | 0 | 0 | 0 | 110.7 | S15 L16 L17 | D13-S15 PolarHBondContact O-N 3.21Å; D13-S15 VanDerWaalsContact O-N 3.15Å; D13-S15 WeakPolarHBondContact OD1-CB 3.38Å; D13-S15 PolarHBondContact OD1-N 3.42Å; D13-S15 PolarHBondContact OD1-OG 2.74Å; D13-S15 PolarHBondContact OD2-OG 3.33Å; D13-L16 HydrophobicContact CB-CB 4.09Å; D13-L16 WeakPolarHBondContact O-CB 3.21Å; D13-L16 PolarHBondContact O-N 2.91Å; D13-L16 VanDerWaalsContact O-N 3.09Å; D13-L17 PolarHBondContact O-N 3.29Å | ||
| 14 | S | 72.6 | Confident | 66.5 | Low | 71 Ų | 71 | 69.5 Ų | 69.5 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.9 | -29.8 | -179.3 | 66.8 | 0 | 0 | 0 | 0 | 113.4 | V12 R18 | V12-S14 PolarHBondContact O-N 3.17Å; S14-R18 WeakPolarHBondContact O-CB 3.36Å; S14-R18 PolarHBondContact O-N 3.15Å |
| 15 | S | 78.8 | Confident | 68.7 | Low | 54 Ų | 54 | 66 Ų | 66 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71 | -45.9 | 176.4 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | D13 R18 A19 | D13-S15 PolarHBondContact O-N 3.21Å; D13-S15 VanDerWaalsContact O-N 3.15Å; D13-S15 WeakPolarHBondContact OD1-CB 3.38Å; D13-S15 PolarHBondContact OD1-N 3.42Å; D13-S15 PolarHBondContact OD1-OG 2.74Å; D13-S15 PolarHBondContact OD2-OG 3.33Å; S15-R18 PolarHBondContact O-N 2.89Å; S15-A19 WeakPolarHBondContact O-CB 2.97Å; S15-A19 PolarHBondContact O-N 3.18Å |
| 16 | L | 83.4 | Confident | 71.3 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.016 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.5 | -46 | 174.1 | 177.8 | 64.1 | 0 | 0 | 0 | 111.4 | V12 D13 R18 A19 L20 I35 F38 L86 | V12-L16 HydrophobicContact CG1-CB 4.36Å; V12-L16 HydrophobicContact CG1-CD2 3.67Å; V12-L16 HydrophobicContact CG1-CG 4.12Å; D13-L16 HydrophobicContact CB-CB 4.09Å; D13-L16 WeakPolarHBondContact O-CB 3.21Å; D13-L16 PolarHBondContact O-N 2.91Å; D13-L16 VanDerWaalsContact O-N 3.09Å; L16-R18 PolarHBondContact O-N 3.44Å; L16-A19 WeakPolarHBondContact O-CB 3.32Å; L16-A19 PolarHBondContact O-N 2.81Å; L16-L20 HydrophobicContact CD1-CD1 3.88Å; L16-L20 HydrophobicContact CD1-CG 4.16Å; L16-L20 HydrophobicContact CG-CD1 3.84Å; L16-L20 HydrophobicContact CG-CG 4.48Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 3.05Å; L16-I35 HydrophobicContact CD1-CB 4.24Å; L16-I35 HydrophobicContact CD1-CG1 3.9Å; L16-F38 HydrophobicContact CD1-CB 3.99Å; L16-F38 HydrophobicContact CD1-CD1 4.44Å; L16-F38 HydrophobicContact CD1-CG 4.29Å; L16-F38 HydrophobicContact CD2-CB 3.84Å; L16-F38 HydrophobicContact CD2-CD1 3.69Å; L16-F38 HydrophobicContact CD2-CD2 3.52Å; L16-F38 HydrophobicContact CD2-CE1 4.07Å; L16-F38 HydrophobicContact CD2-CE2 3.93Å; L16-F38 HydrophobicContact CD2-CG 3.39Å; L16-F38 HydrophobicContact CD2-CZ 4.19Å; L16-F38 HydrophobicContact CG-CG 4.48Å; L16-L86 HydrophobicContact CD2-CD2 4.47Å |
| 17 | L | 81.5 | Confident | 73.5 | Confident | 41 Ų | 41 | 59.5 Ų | 59.5 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 179.3 | -172 | 66.1 | 0 | 0 | 0 | 111.5 | L9 D13 A19 L20 T21 L62 | L9-L17 HydrophobicContact CB-CD1 4Å; L9-L17 HydrophobicContact CB-CD2 4.13Å; L9-L17 HydrophobicContact CD1-CD1 3.95Å; L9-L17 HydrophobicContact CD2-CD1 3.66Å; L9-L17 HydrophobicContact CG-CD1 4.07Å; D13-L17 PolarHBondContact O-N 3.29Å; L17-A19 VanDerWaalsContact C-N 3.33Å; L17-A19 PolarHBondContact O-N 3.47Å; L17-L20 PolarHBondContact O-N 3.31Å; L17-T21 HydrophobicContact CD1-CG2 4.42Å; L17-T21 HydrophobicContact CG-CG2 4.47Å; L17-T21 WeakPolarHBondContact O-CB 3.46Å; L17-T21 VanDerWaalsContact O-CG2 3.3Å; L17-T21 WeakPolarHBondContact O-CG2 3.41Å; L17-T21 PolarHBondContact O-N 3.16Å; L17-T21 PolarHBondContact O-OG1 2.94Å; L17-L62 HydrophobicContact CD1-CD2 3.82Å |
| 18 | R | 83.3 | Confident | 75.6 | Confident | 161 Ų | 161 | 58.9 Ų | 58.9 | 61% | 0.608 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 174.2 | -175.7 | -173.8 | -64.6 | 178.3 | 0.1 | 111.8 | S14 S15 L16 T21 | S14-R18 WeakPolarHBondContact O-CB 3.36Å; S14-R18 PolarHBondContact O-N 3.15Å; S15-R18 PolarHBondContact O-N 2.89Å; L16-R18 PolarHBondContact O-N 3.44Å; R18-T21 WeakPolarHBondContact CA-OG1 3.42Å; R18-T21 PolarHBondContact O-OG1 2.9Å; R18-T21 VanDerWaalsContact O-OG1 3.14Å |
| 19 | A | 87.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S15 L16 L17 K22 R27 D31 A34 I35 | S15-A19 WeakPolarHBondContact O-CB 2.97Å; S15-A19 PolarHBondContact O-N 3.18Å; L16-A19 WeakPolarHBondContact O-CB 3.32Å; L16-A19 PolarHBondContact O-N 2.81Å; L17-A19 VanDerWaalsContact C-N 3.33Å; L17-A19 PolarHBondContact O-N 3.47Å; A19-K22 PolarHBondContact O-N 2.91Å; A19-R27 PolarHBondContact O-NE 2.63Å; A19-D31 HydrophobicContact CB-CB 3.74Å; A19-D31 WeakPolarHBondContact CB-O 3.38Å; A19-A34 HydrophobicContact CB-CB 4.48Å; A19-I35 HydrophobicContact CB-CD1 4.06Å; A19-I35 HydrophobicContact CB-CG1 3.9Å |
| 20 | L | 86.3 | Confident | 79.2 | Confident | 7 Ų | 7 | 70.1 Ų | 70.1 | 4% | 0.037 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -71.1 | -31.5 | -177.9 | -75.5 | 171.1 | 0 | 0 | 0 | 113.6 | L16 L17 K22 R27 I35 A60 L62 L86 I126 | L16-L20 HydrophobicContact CD1-CD1 3.88Å; L16-L20 HydrophobicContact CD1-CG 4.16Å; L16-L20 HydrophobicContact CG-CD1 3.84Å; L16-L20 HydrophobicContact CG-CG 4.48Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 3.05Å; L17-L20 PolarHBondContact O-N 3.31Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-R27 PolarHBondContact O-NH2 2.8Å; L20-I35 HydrophobicContact CD2-CD1 3.85Å; L20-I35 HydrophobicContact CD2-CG1 4.07Å; L20-I35 HydrophobicContact CD2-CG2 4.49Å; L20-I35 HydrophobicContact CG-CD1 4.28Å; L20-I35 HydrophobicContact CG-CG1 4.19Å; L20-A60 HydrophobicContact CD2-CB 4.1Å; L20-L62 HydrophobicContact CB-CB 4.16Å; L20-L62 HydrophobicContact CD1-CD1 4.36Å; L20-L86 HydrophobicContact CD1-CD1 4.27Å; L20-I126 HydrophobicContact CD1-CD1 3.77Å; L20-I126 HydrophobicContact CD1-CG1 3.76Å; L20-I126 HydrophobicContact CD2-CD1 4.49Å; L20-I126 HydrophobicContact CD2-CG1 4.46Å; L20-I126 HydrophobicContact CD2-CG2 4.07Å |
| 21 | T | 84.3 | Confident | 81.1 | Confident | 89 Ų | 89 | 66.3 Ų | 66.3 | 55% | 0.546 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -75.1 | -17.2 | 177.5 | 46.5 | 0 | 0 | 0 | 0 | 113.6 | L17 R18 L62 | L17-T21 HydrophobicContact CD1-CG2 4.42Å; L17-T21 HydrophobicContact CG-CG2 4.47Å; L17-T21 WeakPolarHBondContact O-CB 3.46Å; L17-T21 VanDerWaalsContact O-CG2 3.3Å; L17-T21 WeakPolarHBondContact O-CG2 3.41Å; L17-T21 PolarHBondContact O-N 3.16Å; L17-T21 PolarHBondContact O-OG1 2.94Å; R18-T21 WeakPolarHBondContact CA-OG1 3.42Å; R18-T21 PolarHBondContact O-OG1 2.9Å; R18-T21 VanDerWaalsContact O-OG1 3.14Å; T21-L62 HydrophobicContact CG2-CD2 4.16Å |
| 22 | K | 85.5 | Confident | 82.8 | Confident | 66 Ų | 66 | 64 Ų | 64 | 29% | 0.287 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -74 | 137.8 | 171.4 | -74.1 | 171.4 | 177.5 | 173 | 0 | 110.7 | A19 L20 R27 D31 | A19-K22 PolarHBondContact O-N 2.91Å; L20-K22 VanDerWaalsContact C-N 3.31Å; K22-R27 HydrophobicContact CB-CG 3.99Å; K22-R27 PolarHBondContact O-NE 3.08Å; K22-R27 PolarHBondContact O-NH2 3.21Å; K22-D31 WeakPolarHBondContact CD-OD2 3.48Å; K22-D31 WeakPolarHBondContact CE-OD2 3.13Å; K22-D31 IonicContact NZ-OD1 3.97Å; K22-D31 PolarHBondContact NZ-OD1 3.43Å; K22-D31 IonicContact NZ-OD2 3.2Å; K22-D31 PolarHBondContact NZ-OD2 3.05Å |
| 23 | P | 82.6 | Confident | 84.1 | Confident | 95 Ų | 95 | 66.8 Ų | 66.8 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | trans | -60.7 | 146 | 171.8 | 23.8 | -29.7 | 0 | 0 | 0 | 110.2 | G25 A26 | P23-G25 PolarHBondContact O-N 3.15Å; P23-G25 VanDerWaalsContact O-N 3.1Å; P23-A26 HydrophobicContact CG-CB 3.88Å; P23-A26 PolarHBondContact O-N 3.44Å | ||
| 24 | I | 82.3 | Confident | 84.7 | Confident | 96 Ų | 96 | 63.5 Ų | 63.5 | 49% | 0.492 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -50.2 | -42.5 | -171.3 | -67.3 | 166.6 | 0 | 0 | 0 | 112.3 | A26 A58 | I24-A26 VanDerWaalsContact C-N 3.28Å; I24-A26 PolarHBondContact O-N 3.38Å; I24-A58 WeakPolarHBondContact CG2-O 3.27Å |
| 25 | G | 80.4 | Confident | 85.5 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 89% | 0.887 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -72.3 | -10.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | P23 | P23-G25 PolarHBondContact O-N 3.15Å; P23-G25 VanDerWaalsContact O-N 3.1Å |
| 26 | A | 87.9 | Confident | 85.9 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 48% | 0.479 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -108.9 | 5.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P23 I24 | P23-A26 HydrophobicContact CG-CB 3.88Å; P23-A26 PolarHBondContact O-N 3.44Å; I24-A26 VanDerWaalsContact C-N 3.28Å; I24-A26 PolarHBondContact O-N 3.38Å |
| 27 | R | 88.3 | Confident | 85.9 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | trans | -76.4 | 133 | 179 | -70.4 | -179.1 | -177.6 | 167.9 | 1.8 | 110.9 | A19 L20 K22 D31 V32 A58 A60 | A19-R27 PolarHBondContact O-NE 2.63Å; L20-R27 PolarHBondContact O-NH2 2.8Å; K22-R27 HydrophobicContact CB-CG 3.99Å; K22-R27 PolarHBondContact O-NE 3.08Å; K22-R27 PolarHBondContact O-NH2 3.21Å; R27-D31 WeakPolarHBondContact CA-OD2 3.46Å; R27-D31 HydrophobicContact CB-CB 4.04Å; R27-D31 HydrophobicContact CG-CB 4.29Å; R27-V32 HydrophobicContact CB-CG2 4.3Å; R27-A58 PolarHBondContact NH1-O 2.84Å; R27-A60 PolarHBondContact NH1-O 2.83Å; R27-A60 PolarHBondContact NH2-O 3.22Å | ||
| 28 | T | 89.6 | Confident | 86 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 41% | 0.405 | 35% | 0.35 | S | S | . | . | trans | -79.8 | 167.4 | 171 | 67.5 | 0 | 0 | 0 | 0 | 110.4 | E30 D31 V32 | T28-E30 PolarHBondContact O-N 2.94Å; T28-E30 PolarHBondContact OG1-N 2.82Å; T28-D31 PolarHBondContact N-OD2 3.42Å; T28-D31 WeakPolarHBondContact O-CB 3.46Å; T28-D31 PolarHBondContact O-N 2.6Å; T28-D31 VanDerWaalsContact O-N 3.11Å; T28-D31 PolarHBondContact OG1-N 2.93Å; T28-D31 PolarHBondContact OG1-OD2 3.49Å; T28-D31 VanDerWaalsContact OG1-OD2 3.14Å; T28-V32 PolarHBondContact O-N 3.41Å | ||
| 29 | S | 86.3 | Confident | 85.9 | Confident | 103 Ų | 103 | 52.6 Ų | 52.6 | 72% | 0.72 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.2 | -31.8 | 172.8 | -168.2 | 0 | 0 | 0 | 0 | 112.4 | E33 | S29-E33 WeakPolarHBondContact O-CB 3.48Å; S29-E33 PolarHBondContact O-N 3.47Å |
| 30 | E | 86.6 | Confident | 85.5 | Confident | 163 Ų | 163 | 56.8 Ų | 56.8 | 76% | 0.762 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.9 | -38 | 175.9 | -64.7 | 177.2 | 177.1 | 0 | 0 | 112.1 | T28 E33 A34 | T28-E30 PolarHBondContact O-N 2.94Å; T28-E30 PolarHBondContact OG1-N 2.82Å; E30-E33 PolarHBondContact O-N 2.9Å; E30-A34 PolarHBondContact O-N 2.58Å |
| 31 | D | 90 | Very high | 84.9 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 8% | 0.075 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 176.7 | -62.9 | -46.8 | 0 | 0 | 0 | 110.8 | A19 K22 R27 T28 E33 A34 I35 | A19-D31 HydrophobicContact CB-CB 3.74Å; A19-D31 WeakPolarHBondContact CB-O 3.38Å; K22-D31 WeakPolarHBondContact CD-OD2 3.48Å; K22-D31 WeakPolarHBondContact CE-OD2 3.13Å; K22-D31 IonicContact NZ-OD1 3.97Å; K22-D31 PolarHBondContact NZ-OD1 3.43Å; K22-D31 IonicContact NZ-OD2 3.2Å; K22-D31 PolarHBondContact NZ-OD2 3.05Å; R27-D31 WeakPolarHBondContact CA-OD2 3.46Å; R27-D31 HydrophobicContact CB-CB 4.04Å; R27-D31 HydrophobicContact CG-CB 4.29Å; T28-D31 PolarHBondContact N-OD2 3.42Å; T28-D31 WeakPolarHBondContact O-CB 3.46Å; T28-D31 PolarHBondContact O-N 2.6Å; T28-D31 VanDerWaalsContact O-N 3.11Å; T28-D31 PolarHBondContact OG1-N 2.93Å; T28-D31 PolarHBondContact OG1-OD2 3.49Å; T28-D31 VanDerWaalsContact OG1-OD2 3.14Å; D31-E33 VanDerWaalsContact C-N 3.35Å; D31-A34 PolarHBondContact O-N 2.79Å; D31-I35 WeakPolarHBondContact O-CG1 3.27Å; D31-I35 PolarHBondContact O-N 3.1Å |
| 32 | V | 87.8 | Confident | 84.2 | Confident | 26 Ų | 26 | 62.9 Ų | 62.9 | 16% | 0.158 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.8 | -39 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 111 | R27 T28 A34 I35 Y36 C57 A58 | R27-V32 HydrophobicContact CB-CG2 4.3Å; T28-V32 PolarHBondContact O-N 3.41Å; V32-A34 VanDerWaalsContact C-N 3.33Å; V32-A34 PolarHBondContact O-N 3.05Å; V32-I35 PolarHBondContact O-N 3.3Å; V32-Y36 WeakPolarHBondContact O-CB 3.23Å; V32-Y36 PolarHBondContact O-N 3.41Å; V32-C57 HydrophobicContact CG1-CB 4.48Å; V32-A58 HydrophobicContact CG1-CB 4.21Å; V32-A58 HydrophobicContact CG2-CB 4.26Å |
| 33 | E | 87.9 | Confident | 83.1 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 36% | 0.36 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 176.5 | -161.6 | 67.1 | -158.1 | 0 | 0 | 111.9 | S29 E30 D31 Y36 A37 K54 | S29-E33 WeakPolarHBondContact O-CB 3.48Å; S29-E33 PolarHBondContact O-N 3.47Å; E30-E33 PolarHBondContact O-N 2.9Å; D31-E33 VanDerWaalsContact C-N 3.35Å; E33-Y36 PolarHBondContact O-N 3.19Å; E33-A37 VanDerWaalsContact O-CB 3.26Å; E33-A37 WeakPolarHBondContact O-CB 3.44Å; E33-A37 PolarHBondContact O-N 2.98Å; E33-K54 IonicContact OE1-NZ 3.26Å; E33-K54 PolarHBondContact OE1-NZ 2.83Å; E33-K54 WeakPolarHBondContact OE2-CE 3.36Å; E33-K54 IonicContact OE2-NZ 3.47Å; E33-K54 PolarHBondContact OE2-NZ 3.27Å |
| 34 | A | 85.7 | Confident | 82.2 | Confident | 26 Ų | 26 | 68 Ų | 68 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A19 E30 D31 V32 F38 | A19-A34 HydrophobicContact CB-CB 4.48Å; E30-A34 PolarHBondContact O-N 2.58Å; D31-A34 PolarHBondContact O-N 2.79Å; V32-A34 VanDerWaalsContact C-N 3.33Å; V32-A34 PolarHBondContact O-N 3.05Å; A34-F38 PolarHBondContact O-N 3.1Å |
| 35 | I | 88.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 174.9 | -60.9 | 166.6 | 0 | 0 | 0 | 110.1 | L16 A19 L20 D31 V32 A37 F38 C39 C57 A60 | L16-I35 HydrophobicContact CD1-CB 4.24Å; L16-I35 HydrophobicContact CD1-CG1 3.9Å; A19-I35 HydrophobicContact CB-CD1 4.06Å; A19-I35 HydrophobicContact CB-CG1 3.9Å; L20-I35 HydrophobicContact CD2-CD1 3.85Å; L20-I35 HydrophobicContact CD2-CG1 4.07Å; L20-I35 HydrophobicContact CD2-CG2 4.49Å; L20-I35 HydrophobicContact CG-CD1 4.28Å; L20-I35 HydrophobicContact CG-CG1 4.19Å; D31-I35 WeakPolarHBondContact O-CG1 3.27Å; D31-I35 PolarHBondContact O-N 3.1Å; V32-I35 PolarHBondContact O-N 3.3Å; I35-A37 PolarHBondContact O-N 3.16Å; I35-F38 PolarHBondContact O-N 3.19Å; I35-C39 PolarHBondContact O-N 2.94Å; I35-C39 PolarHBondContact O-SG 2.94Å; I35-C39 VanDerWaalsContact O-SG 3.4Å; I35-C57 HydrophobicContact CB-CB 4.18Å; I35-C57 HydrophobicContact CG2-CB 3.72Å; I35-A60 HydrophobicContact CG2-CB 4Å |
| 36 | Y | 87.4 | Confident | 80.8 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59 | -47.4 | 177 | 166.2 | -98 | 0 | 0 | 0 | 112.1 | V32 E33 F38 C39 R40 D50 L53 K54 | V32-Y36 WeakPolarHBondContact O-CB 3.23Å; V32-Y36 PolarHBondContact O-N 3.41Å; E33-Y36 PolarHBondContact O-N 3.19Å; Y36-F38 PolarHBondContact O-N 2.98Å; Y36-C39 PolarHBondContact O-N 2.79Å; Y36-R40 WeakPolarHBondContact O-CB 3.29Å; Y36-R40 PolarHBondContact O-N 2.87Å; Y36-D50 PolarHBondContact OH-OD1 3.39Å; Y36-L53 HydrophobicContact CD2-CB 4.27Å; Y36-L53 HydrophobicContact CD2-CD2 3.96Å; Y36-L53 HydrophobicContact CD2-CG 3.96Å; Y36-L53 HydrophobicContact CE2-CB 4.21Å; Y36-L53 HydrophobicContact CE2-CD2 3.84Å; Y36-L53 HydrophobicContact CE2-CG 4.18Å; Y36-K54 VanDerWaalsContact CD1-CE 3.48Å; Y36-K54 HydrophobicContact CD1-CG 4.25Å; Y36-K54 HydrophobicContact CD2-CB 4.46Å; Y36-K54 HydrophobicContact CD2-CD 4.38Å; Y36-K54 HydrophobicContact CD2-CG 3.4Å; Y36-K54 VanDerWaalsContact CE1-CE 3.46Å; Y36-K54 HydrophobicContact CE2-CG 3.84Å; Y36-K54 HydrophobicContact CG-CD 4.36Å; Y36-K54 HydrophobicContact CG-CG 3.63Å |
| 37 | A | 83.7 | Confident | 79.8 | Confident | 40 Ų | 40 | 68.7 Ų | 68.7 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.2 | -31.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | E33 I35 R41 | E33-A37 VanDerWaalsContact O-CB 3.26Å; E33-A37 WeakPolarHBondContact O-CB 3.44Å; E33-A37 PolarHBondContact O-N 2.98Å; I35-A37 PolarHBondContact O-N 3.16Å; A37-R41 WeakPolarHBondContact O-CG 3.36Å |
| 38 | F | 84 | Confident | 78.8 | Confident | 36 Ų | 36 | 69 Ų | 69 | 16% | 0.158 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.5 | -55.1 | 171.3 | 177 | -99.6 | 0 | 0 | 0 | 111.5 | L16 A34 I35 Y36 R40 R41 L42 V84 L86 L100 I126 | L16-F38 HydrophobicContact CD1-CB 3.99Å; L16-F38 HydrophobicContact CD1-CD1 4.44Å; L16-F38 HydrophobicContact CD1-CG 4.29Å; L16-F38 HydrophobicContact CD2-CB 3.84Å; L16-F38 HydrophobicContact CD2-CD1 3.69Å; L16-F38 HydrophobicContact CD2-CD2 3.52Å; L16-F38 HydrophobicContact CD2-CE1 4.07Å; L16-F38 HydrophobicContact CD2-CE2 3.93Å; L16-F38 HydrophobicContact CD2-CG 3.39Å; L16-F38 HydrophobicContact CD2-CZ 4.19Å; L16-F38 HydrophobicContact CG-CG 4.48Å; A34-F38 PolarHBondContact O-N 3.1Å; I35-F38 PolarHBondContact O-N 3.19Å; Y36-F38 PolarHBondContact O-N 2.98Å; F38-R40 PolarHBondContact O-N 3.4Å; F38-R41 WeakPolarHBondContact O-CB 3.48Å; F38-R41 PolarHBondContact O-N 3.31Å; F38-R41 VanDerWaalsContact O-N 3.12Å; F38-L42 HydrophobicContact CE1-CD1 4.25Å; F38-V84 HydrophobicContact CE1-CG1 4.02Å; F38-L86 HydrophobicContact CE1-CD2 3.72Å; F38-L86 HydrophobicContact CE2-CD2 4.46Å; F38-L86 HydrophobicContact CZ-CD2 3.53Å; F38-L100 HydrophobicContact CE2-CD2 3.88Å; F38-L100 HydrophobicContact CZ-CD2 3.7Å; F38-I126 HydrophobicContact CD1-CD1 3.78Å; F38-I126 HydrophobicContact CE1-CD1 3.68Å |
| 39 | C | 81 | Confident | 78.1 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.7 | -32.4 | -178.3 | -69 | 0 | 0 | 0 | 0 | 112.9 | I35 Y36 R41 L42 L45 | I35-C39 PolarHBondContact O-N 2.94Å; I35-C39 PolarHBondContact O-SG 2.94Å; I35-C39 VanDerWaalsContact O-SG 3.4Å; Y36-C39 PolarHBondContact O-N 2.79Å; C39-R41 PolarHBondContact O-N 2.85Å; C39-L42 WeakPolarHBondContact O-CB 3.31Å; C39-L42 PolarHBondContact O-N 2.95Å; C39-L42 VanDerWaalsContact O-N 3.11Å; C39-L45 HydrophobicContact CB-CD1 3.76Å; C39-L45 WeakPolarHBondContact O-CB 3.23Å |
| 40 | R | 79.9 | Confident | 77.8 | Confident | 89 Ų | 89 | 67.1 Ų | 67.1 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.5 | 179.2 | -166.2 | 67.2 | 175.7 | 144.3 | 7.5 | 113.4 | Y36 F38 S46 F48 D50 L53 | Y36-R40 WeakPolarHBondContact O-CB 3.29Å; Y36-R40 PolarHBondContact O-N 2.87Å; F38-R40 PolarHBondContact O-N 3.4Å; R40-S46 VanDerWaalsContact NH1-C 3.29Å; R40-S46 VanDerWaalsContact NH1-CA 3.34Å; R40-S46 PolarHBondContact NH1-O 3.46Å; R40-F48 PolarHBondContact NH1-O 3.09Å; R40-D50 IonicContact CZ-OD1 3.16Å; R40-D50 IonicContact NE-OD1 3.74Å; R40-D50 PolarHBondContact NE-OD1 3.44Å; R40-D50 IonicContact NH1-OD1 3.77Å; R40-D50 IonicContact NH2-OD1 2.7Å; R40-D50 PolarHBondContact NH2-OD1 3.26Å; R40-L53 HydrophobicContact CB-CD2 4.49Å |
| 41 | R | 73.9 | Confident | 77.3 | Confident | 205 Ų | 205 | 67.9 Ų | 67.9 | 77% | 0.774 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -11.1 | 176.2 | -64.4 | 175.7 | -170.7 | 175.5 | 3.3 | 112.7 | A37 F38 C39 | A37-R41 WeakPolarHBondContact O-CG 3.36Å; F38-R41 WeakPolarHBondContact O-CB 3.48Å; F38-R41 PolarHBondContact O-N 3.31Å; F38-R41 VanDerWaalsContact O-N 3.12Å; C39-R41 PolarHBondContact O-N 2.85Å |
| 42 | L | 69.1 | Low | 76.4 | Confident | 19 Ų | 19 | 70.9 Ų | 70.9 | 10% | 0.099 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -88.4 | 126.6 | 178.2 | -57.3 | 171.5 | 0 | 0 | 0 | 109 | F38 C39 E44 L45 S46 V84 L100 | F38-L42 HydrophobicContact CE1-CD1 4.25Å; C39-L42 WeakPolarHBondContact O-CB 3.31Å; C39-L42 PolarHBondContact O-N 2.95Å; C39-L42 VanDerWaalsContact O-N 3.11Å; L42-E44 VanDerWaalsContact C-N 3.29Å; L42-E44 PolarHBondContact O-N 2.96Å; L42-L45 HydrophobicContact CD1-CD1 4.15Å; L42-L45 PolarHBondContact O-N 2.94Å; L42-S46 WeakPolarHBondContact O-CB 3.29Å; L42-S46 PolarHBondContact O-N 3.34Å; L42-V84 HydrophobicContact CD1-CB 4.25Å; L42-V84 HydrophobicContact CD1-CG1 3.43Å; L42-V84 VanDerWaalsContact CD1-CG1 3.43Å; L42-V84 HydrophobicContact CD1-CG2 3.78Å; L42-L100 HydrophobicContact CD2-CB 4.41Å; L42-L100 WeakPolarHBondContact CD2-O 3.49Å |
| 43 | E | 61.6 | Low | 76.1 | Confident | 158 Ų | 158 | 69.6 Ų | 69.6 | 74% | 0.738 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -40.4 | -171.7 | -165.7 | 172 | 177.8 | 0 | 0 | 112.2 | S46 | E43-S46 PolarHBondContact O-N 3.39Å; E43-S46 PolarHBondContact O-OG 3.32Å |
| 44 | E | 63.7 | Low | 75.8 | Confident | 111 Ų | 111 | 69.2 Ų | 69.2 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -40.3 | -179.5 | -61.7 | -164.7 | 163.4 | 0 | 0 | 113.3 | L42 S46 S102 | L42-E44 VanDerWaalsContact C-N 3.29Å; L42-E44 PolarHBondContact O-N 2.96Å; E44-S46 VanDerWaalsContact C-N 3.34Å; E44-S102 WeakPolarHBondContact OE2-CB 3.28Å; E44-S102 PolarHBondContact OE2-OG 3.17Å |
| 45 | L | 68.4 | Low | 75.6 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -80.1 | -19 | 179.2 | -67.3 | 178.8 | 0 | 0 | 0 | 112.4 | C39 L42 R47 F48 L53 V84 I128 | C39-L45 HydrophobicContact CB-CD1 3.76Å; C39-L45 WeakPolarHBondContact O-CB 3.23Å; L42-L45 HydrophobicContact CD1-CD1 4.15Å; L42-L45 PolarHBondContact O-N 2.94Å; L45-R47 PolarHBondContact O-N 2.88Å; L45-F48 HydrophobicContact CD2-CD2 4.13Å; L45-F48 HydrophobicContact CD2-CE2 3.94Å; L45-F48 WeakPolarHBondContact O-CD2 3.49Å; L45-F48 PolarHBondContact O-N 2.98Å; L45-L53 HydrophobicContact CB-CD1 4.13Å; L45-L53 HydrophobicContact CD2-CD1 4.44Å; L45-V84 HydrophobicContact CD1-CG2 3.99Å; L45-I128 HydrophobicContact CD1-CD1 3.99Å |
| 46 | S | 65 | Low | 75.3 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -65.5 | -15.8 | 175.9 | 79.9 | 0 | 0 | 0 | 0 | 113.5 | R40 L42 E43 E44 F48 | R40-S46 VanDerWaalsContact NH1-C 3.29Å; R40-S46 VanDerWaalsContact NH1-CA 3.34Å; R40-S46 PolarHBondContact NH1-O 3.46Å; L42-S46 WeakPolarHBondContact O-CB 3.29Å; L42-S46 PolarHBondContact O-N 3.34Å; E43-S46 PolarHBondContact O-N 3.39Å; E43-S46 PolarHBondContact O-OG 3.32Å; E44-S46 VanDerWaalsContact C-N 3.34Å; S46-F48 VanDerWaalsContact C-N 3.29Å; S46-F48 PolarHBondContact O-N 3.03Å |
| 47 | R | 66.8 | Low | 75.2 | Confident | 206 Ų | 206 | 69.6 Ų | 69.6 | 78% | 0.777 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -73.1 | -19.4 | 177.4 | -61.3 | -178.3 | -179.6 | -177.4 | 0.7 | 113.5 | L45 | L45-R47 PolarHBondContact O-N 2.88Š|
| 48 | F | 68.8 | Low | 75.2 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -81.3 | 143.5 | 179 | -62.9 | -72 | 0 | 0 | 0 | 112.1 | R40 L45 S46 W52 L53 L106 | R40-F48 PolarHBondContact NH1-O 3.09Å; L45-F48 HydrophobicContact CD2-CD2 4.13Å; L45-F48 HydrophobicContact CD2-CE2 3.94Å; L45-F48 WeakPolarHBondContact O-CD2 3.49Å; L45-F48 PolarHBondContact O-N 2.98Å; S46-F48 VanDerWaalsContact C-N 3.29Å; S46-F48 PolarHBondContact O-N 3.03Å; F48-W52 AromaticContact CD1-CD1 3.69Å; F48-L53 HydrophobicContact CB-CB 4.15Å; F48-L106 HydrophobicContact CE1-CD2 4.08Å; F48-L106 HydrophobicContact CE2-CD1 3.95Å; F48-L106 HydrophobicContact CE2-CD2 4.08Å; F48-L106 HydrophobicContact CZ-CD1 3.82Å; F48-L106 HydrophobicContact CZ-CD2 3.44Å; F48-L106 VanDerWaalsContact CZ-CD2 3.44Å; F48-L106 HydrophobicContact CZ-CG 4.24Å |
| 49 | G | 75.3 | Confident | 75.3 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | trans | -62.8 | 145.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q51 W52 L53 | G49-Q51 PolarHBondContact O-N 3.15Å; G49-W52 PolarHBondContact O-N 2.81Å; G49-L53 PolarHBondContact O-N 2.81Å | ||
| 50 | D | 78.3 | Confident | 75.6 | Confident | 79 Ų | 79 | 72.3 Ų | 72.3 | 42% | 0.422 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.4 | -42.5 | -168.5 | -72 | -26 | 0 | 0 | 0 | 114.2 | Y36 R40 W52 L53 K54 | Y36-D50 PolarHBondContact OH-OD1 3.39Å; R40-D50 IonicContact CZ-OD1 3.16Å; R40-D50 IonicContact NE-OD1 3.74Å; R40-D50 PolarHBondContact NE-OD1 3.44Å; R40-D50 IonicContact NH1-OD1 3.77Å; R40-D50 IonicContact NH2-OD1 2.7Å; R40-D50 PolarHBondContact NH2-OD1 3.26Å; D50-W52 VanDerWaalsContact C-N 3.34Å; D50-W52 PolarHBondContact O-N 3.5Å; D50-L53 PolarHBondContact O-N 2.87Å; D50-K54 WeakPolarHBondContact O-CB 3.12Å; D50-K54 VanDerWaalsContact O-CG 3.31Å; D50-K54 WeakPolarHBondContact O-CG 3.47Å; D50-K54 PolarHBondContact O-N 3.17Å |
| 51 | Q | 76 | Confident | 75.9 | Confident | 179 Ų | 179 | 71.3 Ų | 71.3 | 84% | 0.836 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.6 | -40 | 177.6 | -89.2 | 179.6 | -3 | 0 | 0 | 112.4 | G49 S55 | G49-Q51 PolarHBondContact O-N 3.15Å; Q51-S55 WeakPolarHBondContact O-CB 3.46Å; Q51-S55 PolarHBondContact O-N 2.93Å |
| 52 | W | 72.3 | Confident | 76.6 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 29% | 0.292 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.2 | -46.1 | 179 | -177.7 | -114.7 | 0 | 0 | 0 | 111 | F48 G49 D50 K54 S55 L56 P135 | F48-W52 AromaticContact CD1-CD1 3.69Å; G49-W52 PolarHBondContact O-N 2.81Å; D50-W52 VanDerWaalsContact C-N 3.34Å; D50-W52 PolarHBondContact O-N 3.5Å; W52-K54 VanDerWaalsContact C-N 3.33Å; W52-K54 PolarHBondContact O-N 3.33Å; W52-S55 WeakPolarHBondContact O-CB 3.46Å; W52-S55 PolarHBondContact O-N 2.82Å; W52-S55 VanDerWaalsContact O-N 3.11Å; W52-L56 HydrophobicContact CZ2-CD2 4.12Å; W52-L56 HydrophobicContact CZ2-CG 4.45Å; W52-L56 WeakPolarHBondContact O-CG 3.15Å; W52-L56 PolarHBondContact O-N 2.8Å; W52-P135 HydrophobicContact CE3-CG 4.38Å |
| 53 | L | 80.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 177.9 | -173 | 60.9 | 0 | 0 | 0 | 111.6 | Y36 R40 L45 F48 G49 D50 S55 L56 C57 | Y36-L53 HydrophobicContact CD2-CB 4.27Å; Y36-L53 HydrophobicContact CD2-CD2 3.96Å; Y36-L53 HydrophobicContact CD2-CG 3.96Å; Y36-L53 HydrophobicContact CE2-CB 4.21Å; Y36-L53 HydrophobicContact CE2-CD2 3.84Å; Y36-L53 HydrophobicContact CE2-CG 4.18Å; R40-L53 HydrophobicContact CB-CD2 4.49Å; L45-L53 HydrophobicContact CB-CD1 4.13Å; L45-L53 HydrophobicContact CD2-CD1 4.44Å; F48-L53 HydrophobicContact CB-CB 4.15Å; G49-L53 PolarHBondContact O-N 2.81Å; D50-L53 PolarHBondContact O-N 2.87Å; L53-S55 PolarHBondContact O-N 3.09Å; L53-L56 PolarHBondContact O-N 3.42Å; L53-C57 WeakPolarHBondContact O-CB 3.37Å; L53-C57 PolarHBondContact O-N 2.93Å; L53-C57 PolarHBondContact O-SG 2.84Å |
| 54 | K | 83.2 | Confident | 78.7 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 30% | 0.3 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 173.2 | -74.8 | -174.1 | -176.3 | -157.4 | 0 | 112.3 | E33 Y36 D50 W52 C57 A58 | E33-K54 IonicContact OE1-NZ 3.26Å; E33-K54 PolarHBondContact OE1-NZ 2.83Å; E33-K54 WeakPolarHBondContact OE2-CE 3.36Å; E33-K54 IonicContact OE2-NZ 3.47Å; E33-K54 PolarHBondContact OE2-NZ 3.27Å; Y36-K54 VanDerWaalsContact CD1-CE 3.48Å; Y36-K54 HydrophobicContact CD1-CG 4.25Å; Y36-K54 HydrophobicContact CD2-CB 4.46Å; Y36-K54 HydrophobicContact CD2-CD 4.38Å; Y36-K54 HydrophobicContact CD2-CG 3.4Å; Y36-K54 VanDerWaalsContact CE1-CE 3.46Å; Y36-K54 HydrophobicContact CE2-CG 3.84Å; Y36-K54 HydrophobicContact CG-CD 4.36Å; Y36-K54 HydrophobicContact CG-CG 3.63Å; D50-K54 WeakPolarHBondContact O-CB 3.12Å; D50-K54 VanDerWaalsContact O-CG 3.31Å; D50-K54 WeakPolarHBondContact O-CG 3.47Å; D50-K54 PolarHBondContact O-N 3.17Å; W52-K54 VanDerWaalsContact C-N 3.33Å; W52-K54 PolarHBondContact O-N 3.33Å; K54-C57 PolarHBondContact O-N 3.12Å; K54-A58 PolarHBondContact O-N 3.19Å |
| 55 | S | 81.6 | Confident | 79.8 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | Q51 W52 L53 A58 | Q51-S55 WeakPolarHBondContact O-CB 3.46Å; Q51-S55 PolarHBondContact O-N 2.93Å; W52-S55 WeakPolarHBondContact O-CB 3.46Å; W52-S55 PolarHBondContact O-N 2.82Å; W52-S55 VanDerWaalsContact O-N 3.11Å; L53-S55 PolarHBondContact O-N 3.09Å; S55-A58 WeakPolarHBondContact O-CB 3.09Å; S55-A58 PolarHBondContact O-N 2.87Å |
| 56 | L | 80.6 | Confident | 80.4 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 173.5 | -71.9 | 179.5 | 0 | 0 | 0 | 111.9 | W52 L53 A58 K59 A60 I128 C130 | W52-L56 HydrophobicContact CZ2-CD2 4.12Å; W52-L56 HydrophobicContact CZ2-CG 4.45Å; W52-L56 WeakPolarHBondContact O-CG 3.15Å; W52-L56 PolarHBondContact O-N 2.8Å; L53-L56 PolarHBondContact O-N 3.42Å; L56-A58 PolarHBondContact O-N 3.39Å; L56-K59 CarbonylContact O-C 3.58Å; L56-K59 WeakPolarHBondContact O-CA 3.3Å; L56-K59 PolarHBondContact O-N 2.73Å; L56-A60 PolarHBondContact O-N 3.23Å; L56-I128 HydrophobicContact CB-CG2 3.77Å; L56-I128 HydrophobicContact CD2-CG2 4.32Å; L56-I128 HydrophobicContact CG-CG2 4.47Å; L56-C130 HydrophobicContact CD2-CB 4.12Å |
| 57 | C | 85.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.7 | -31.4 | 177.8 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | V32 I35 L53 K54 K59 A60 | V32-C57 HydrophobicContact CG1-CB 4.48Å; I35-C57 HydrophobicContact CB-CB 4.18Å; I35-C57 HydrophobicContact CG2-CB 3.72Å; L53-C57 WeakPolarHBondContact O-CB 3.37Å; L53-C57 PolarHBondContact O-N 2.93Å; L53-C57 PolarHBondContact O-SG 2.84Å; K54-C57 PolarHBondContact O-N 3.12Å; C57-K59 PolarHBondContact O-N 3.49Å; C57-A60 WeakPolarHBondContact O-CB 3.47Å; C57-A60 PolarHBondContact O-N 2.95Å |
| 58 | A | 84.6 | Confident | 81.6 | Confident | 33 Ų | 33 | 58 Ų | 58 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.4 | -30.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I24 R27 V32 K54 S55 L56 | I24-A58 WeakPolarHBondContact CG2-O 3.27Å; R27-A58 PolarHBondContact NH1-O 2.84Å; V32-A58 HydrophobicContact CG1-CB 4.21Å; V32-A58 HydrophobicContact CG2-CB 4.26Å; K54-A58 PolarHBondContact O-N 3.19Å; S55-A58 WeakPolarHBondContact O-CB 3.09Å; S55-A58 PolarHBondContact O-N 2.87Å; L56-A58 PolarHBondContact O-N 3.39Å |
| 59 | K | 84.8 | Confident | 82.3 | Confident | 101 Ų | 101 | 59.7 Ų | 59.7 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -2.6 | 178.8 | -60.3 | -178.7 | -176.8 | 179.4 | 0 | 114.7 | L56 C57 R61 | L56-K59 CarbonylContact O-C 3.58Å; L56-K59 WeakPolarHBondContact O-CA 3.3Å; L56-K59 PolarHBondContact O-N 2.73Å; C57-K59 PolarHBondContact O-N 3.49Å; K59-R61 PolarHBondContact O-N 3.22Å |
| 60 | A | 87.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -59.8 | 136.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L20 R27 I35 L56 C57 I126 A127 I128 | L20-A60 HydrophobicContact CD2-CB 4.1Å; R27-A60 PolarHBondContact NH1-O 2.83Å; R27-A60 PolarHBondContact NH2-O 3.22Å; I35-A60 HydrophobicContact CG2-CB 4Å; L56-A60 PolarHBondContact O-N 3.23Å; C57-A60 WeakPolarHBondContact O-CB 3.47Å; C57-A60 PolarHBondContact O-N 2.95Å; A60-I126 HydrophobicContact CB-CG2 3.71Å; A60-A127 CarbonylContact C-O 3.55Å; A60-A127 WeakPolarHBondContact CA-O 3.43Å; A60-I128 HydrophobicContact CB-CG1 4.09Å | ||
| 61 | R | 86.1 | Confident | 82.8 | Confident | 68 Ų | 68 | 57.4 Ų | 57.4 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.9 | 177.2 | 61.5 | -177 | -171.9 | -107.5 | -1.9 | 110.5 | K59 E63 C81 I126 A127 D129 | K59-R61 PolarHBondContact O-N 3.22Å; R61-E63 HydrophobicContact CG-CG 4.47Å; R61-E63 IonicContact CZ-OE1 3.94Å; R61-E63 IonicContact NE-OE1 3.85Å; R61-E63 PolarHBondContact NE-OE1 3.48Å; R61-E63 IonicContact NH2-OE1 2.69Å; R61-E63 PolarHBondContact NH2-OE1 2.97Å; R61-C81 VanDerWaalsContact CZ-SG 3.57Å; R61-C81 PolarHBondContact NH1-SG 2.8Å; R61-C81 PolarHBondContact NH2-SG 3.42Å; R61-I126 CarbonylContact O-C 3.33Å; R61-I126 WeakPolarHBondContact O-CA 3.5Å; R61-A127 HydrophobicContact CG-CB 3.52Å; R61-A127 WeakPolarHBondContact CG-O 3.38Å; R61-A127 PolarHBondContact N-O 3.05Å; R61-A127 PolarHBondContact O-N 2.75Å; R61-D129 IonicContact NH1-OD2 2.99Å |
| 62 | L | 88.4 | Confident | 83 | Confident | 40 Ų | 40 | 49.1 Ų | 49.1 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.6 | 172 | -176.3 | 64.3 | 0 | 0 | 0 | 109.3 | L9 L17 L20 T21 L86 | L9-L62 HydrophobicContact CD1-CD2 4.14Å; L9-L62 HydrophobicContact CD2-CD1 3.74Å; L9-L62 HydrophobicContact CD2-CD2 3.77Å; L9-L62 HydrophobicContact CD2-CG 4.19Å; L17-L62 HydrophobicContact CD1-CD2 3.82Å; L20-L62 HydrophobicContact CB-CB 4.16Å; L20-L62 HydrophobicContact CD1-CD1 4.36Å; T21-L62 HydrophobicContact CG2-CD2 4.16Å; L62-L86 HydrophobicContact CD1-CD1 3.65Å |
| 63 | E | 87.8 | Confident | 83.1 | Confident | 24 Ų | 24 | 52.9 Ų | 52.9 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136.8 | 171.7 | -71 | -169.3 | -155.3 | 0 | 0 | 110 | R61 R65 A124 M125 A127 | R61-E63 HydrophobicContact CG-CG 4.47Å; R61-E63 IonicContact CZ-OE1 3.94Å; R61-E63 IonicContact NE-OE1 3.85Å; R61-E63 PolarHBondContact NE-OE1 3.48Å; R61-E63 IonicContact NH2-OE1 2.69Å; R61-E63 PolarHBondContact NH2-OE1 2.97Å; E63-R65 IonicContact OE2-CZ 3.05Å; E63-R65 IonicContact OE2-NE 3.81Å; E63-R65 PolarHBondContact OE2-NE 2.86Å; E63-R65 IonicContact OE2-NH2 3.36Å; E63-R65 PolarHBondContact OE2-NH2 3.41Å; E63-A124 CarbonylContact O-C 3.59Å; E63-A124 WeakPolarHBondContact O-CA 3.33Å; E63-M125 HydrophobicContact CB-CG 3.85Å; E63-M125 PolarHBondContact N-O 3.21Å; E63-M125 PolarHBondContact O-N 2.68Å; E63-A127 HydrophobicContact CG-CB 4.24Å |
| 64 | I | 87.9 | Confident | 82.8 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 43% | 0.431 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.7 | 173.2 | -54.7 | 172.5 | 0 | 0 | 0 | 106.7 | P8 L9 S123 A124 | P8-I64 HydrophobicContact CG-CG2 3.73Å; L9-I64 HydrophobicContact CD1-CD1 3.58Å; L9-I64 HydrophobicContact CD1-CG1 4.39Å; L9-I64 HydrophobicContact CG-CD1 4.24Å; I64-S123 CarbonylContact C-O 3.55Å; I64-S123 WeakPolarHBondContact CA-O 3.32Å; I64-A124 HydrophobicContact CG1-CB 4.42Å |
| 65 | R | 85.5 | Confident | 81.7 | Confident | 82 Ų | 82 | 55.8 Ų | 55.8 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 149.2 | -177.8 | -61 | -63.4 | -178.5 | 175.8 | 1.8 | 111.1 | E63 L71 V119 P122 S123 M125 | E63-R65 IonicContact OE2-CZ 3.05Å; E63-R65 IonicContact OE2-NE 3.81Å; E63-R65 PolarHBondContact OE2-NE 2.86Å; E63-R65 IonicContact OE2-NH2 3.36Å; E63-R65 PolarHBondContact OE2-NH2 3.41Å; R65-L71 HydrophobicContact CG-CD1 3.79Å; R65-V119 HydrophobicContact CB-CB 4.45Å; R65-V119 HydrophobicContact CB-CG1 4.13Å; R65-V119 HydrophobicContact CB-CG2 3.8Å; R65-V119 HydrophobicContact CG-CG2 4.3Å; R65-P122 CarbonylContact O-C 3.45Å; R65-P122 WeakPolarHBondContact O-CA 3.34Å; R65-S123 PolarHBondContact N-O 2.66Å; R65-S123 PolarHBondContact O-N 3.03Å; R65-M125 HydrophobicContact CB-CE 4.27Å; R65-M125 HydrophobicContact CG-CE 3.89Å |
| 66 | H | 81.8 | Confident | 80.8 | Confident | 122 Ų | 122 | 57.7 Ų | 57.7 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | trans | -89.4 | 156.1 | 176.5 | -65.8 | -71.5 | 0 | 0 | 0 | 111.5 | E69 V119 | H66-E69 HydrophobicContact CB-CG 4.18Å; H66-E69 IonicContact CD2-OE1 3.34Å; H66-E69 PolarHBondContact N-OE2 3.36Å; H66-E69 WeakPolarHBondContact O-CB 3.24Å; H66-E69 PolarHBondContact O-N 3.33Å; H66-V119 WeakPolarHBondContact O-CB 3.44Å; H66-V119 VanDerWaalsContact O-CG1 3.28Å; H66-V119 WeakPolarHBondContact O-CG1 3.45Å | ||
| 67 | A | 79.3 | Confident | 79.9 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 45% | 0.446 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 141.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E69 V119 L120 P122 | A67-E69 VanDerWaalsContact C-N 3.28Å; A67-V119 CarbonylContact C-O 3.5Å; A67-L120 WeakPolarHBondContact CB-O 3.2Å; A67-P122 HydrophobicContact CB-CG 4.41Å |
| 68 | G | 77.2 | Confident | 78.5 | Confident | 61 Ų | 61 | 63.3 Ų | 63.3 | 63% | 0.629 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | -5.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V119 | G68-V119 PolarHBondContact N-O 2.96Š|
| 69 | E | 84.6 | Confident | 77 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 34% | 0.336 | 36% | 0.355 | S | S | . | . | trans | -76.5 | 137.8 | 177.1 | -68.5 | -175.9 | 164 | 0 | 0 | 111.4 | H66 A67 L71 V119 | H66-E69 HydrophobicContact CB-CG 4.18Å; H66-E69 IonicContact CD2-OE1 3.34Å; H66-E69 PolarHBondContact N-OE2 3.36Å; H66-E69 WeakPolarHBondContact O-CB 3.24Å; H66-E69 PolarHBondContact O-N 3.33Å; A67-E69 VanDerWaalsContact C-N 3.28Å; E69-L71 PolarHBondContact O-N 3.08Å; E69-V119 WeakPolarHBondContact O-CB 3.36Å; E69-V119 PolarHBondContact O-N 3.41Å | ||
| 70 | L | 82.5 | Confident | 75.6 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 36% | 0.361 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 112.2 | 164.3 | -79.3 | 158.9 | 0 | 0 | 0 | 108.1 | F72 R73 D116 C117 I118 | L70-F72 VanDerWaalsContact C-N 3.3Å; L70-R73 HydrophobicContact CD1-CG 4.06Å; L70-D116 HydrophobicContact CD2-CB 3.66Å; L70-C117 CarbonylContact C-O 3.6Å; L70-C117 WeakPolarHBondContact CA-O 3.38Å; L70-I118 HydrophobicContact CD2-CG1 3.59Å; L70-I118 HydrophobicContact CG-CG1 4.4Å |
| 71 | L | 81.2 | Confident | 74.6 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.068 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | -41.1 | 174.3 | -178.6 | 69.2 | 0 | 0 | 0 | 110.6 | R65 E69 Y83 F103 C117 V119 M125 | R65-L71 HydrophobicContact CG-CD1 3.79Å; E69-L71 PolarHBondContact O-N 3.08Å; L71-Y83 HydrophobicContact CD1-CE1 4.18Å; L71-Y83 HydrophobicContact CD2-CD1 4.07Å; L71-Y83 HydrophobicContact CD2-CD2 4.39Å; L71-Y83 HydrophobicContact CD2-CE1 3.94Å; L71-Y83 HydrophobicContact CD2-CE2 4.3Å; L71-Y83 HydrophobicContact CD2-CG 4.29Å; L71-Y83 HydrophobicContact CG-CE1 4.37Å; L71-F103 HydrophobicContact CD2-CE2 3.58Å; L71-F103 HydrophobicContact CD2-CZ 4.14Å; L71-C117 HydrophobicContact CB-CB 4.21Å; L71-C117 PolarHBondContact N-O 2.96Å; L71-V119 HydrophobicContact CB-CG2 4.26Å; L71-M125 HydrophobicContact CD1-CE 4.36Å; L71-M125 HydrophobicContact CD1-SD 3.78Å; L71-M125 HydrophobicContact CD2-CE 4.47Å; L71-M125 HydrophobicContact CD2-SD 3.68Å; L71-M125 HydrophobicContact CG-SD 4.41Å |
| 72 | F | 81 | Confident | 74 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 154.3 | 170.3 | 46.7 | -103.4 | 0 | 0 | 0 | 109.8 | L70 Y83 I92 H113 F115 C117 | L70-F72 VanDerWaalsContact C-N 3.3Å; F72-Y83 HydrophobicContact CD1-CE2 4.16Å; F72-Y83 HydrophobicContact CE1-CD2 4.22Å; F72-Y83 AromaticContact CE1-CE2 3.78Å; F72-Y83 HydrophobicContact CE1-CE2 3.78Å; F72-I92 HydrophobicContact CE2-CD1 3.66Å; F72-I92 HydrophobicContact CZ-CD1 3.66Å; F72-H113 HydrophobicContact CB-CB 4.4Å; F72-H113 WeakPolarHBondContact CB-CD2 3.48Å; F72-H113 AromaticContact CD1-CE1 3.38Å; F72-H113 WeakPolarHBondContact CD1-CE1 3.27Å; F72-H113 AromaticContact CD1-ND1 3.68Å; F72-H113 AromaticContact CD1-NE2 3.7Å; F72-H113 HydrophobicContact CD2-CB 3.41Å; F72-H113 VanDerWaalsContact CD2-CB 3.41Å; F72-H113 AromaticContact CD2-CD2 3.78Å; F72-H113 AromaticContact CD2-CE1 3.82Å; F72-H113 AromaticContact CD2-CG 3.2Å; F72-H113 AromaticContact CD2-ND1 3.25Å; F72-H113 VanDerWaalsContact CD2-ND1 3.25Å; F72-H113 WeakPolarHBondContact CD2-ND1 3.48Å; F72-H113 AromaticContact CE1-CE1 3.62Å; F72-H113 AromaticContact CE1-ND1 3.75Å; F72-H113 HydrophobicContact CE2-CB 3.85Å; F72-H113 AromaticContact CE2-CE1 3.99Å; F72-H113 AromaticContact CE2-CG 3.67Å; F72-H113 AromaticContact CE2-ND1 3.28Å; F72-H113 VanDerWaalsContact CE2-ND1 3.28Å; F72-H113 WeakPolarHBondContact CE2-ND1 3.3Å; F72-H113 HydrophobicContact CG-CB 4.12Å; F72-H113 AromaticContact CG-CD2 3.54Å; F72-H113 AromaticContact CG-CE1 3.48Å; F72-H113 VanDerWaalsContact CG-CE1 3.48Å; F72-H113 WeakPolarHBondContact CG-CE1 3.47Å; F72-H113 AromaticContact CG-CG 3.46Å; F72-H113 VanDerWaalsContact CG-CG 3.46Å; F72-H113 AromaticContact CG-ND1 3.44Å; F72-H113 WeakPolarHBondContact CG-ND1 3.38Å; F72-H113 AromaticContact CG-NE2 3.55Å; F72-H113 AromaticContact CZ-CE1 3.91Å; F72-H113 AromaticContact CZ-ND1 3.54Å; F72-F115 WeakPolarHBondContact CD2-O 3.41Å; F72-F115 WeakPolarHBondContact CE2-O 3.26Å; F72-C117 HydrophobicContact CD1-CB 4.03Å; F72-C117 HydrophobicContact CD2-CB 3.51Å; F72-C117 HydrophobicContact CE1-CB 3.72Å; F72-C117 HydrophobicContact CE2-CB 3.19Å; F72-C117 HydrophobicContact CG-CB 3.94Å; F72-C117 HydrophobicContact CZ-CB 3.3Å; F72-C117 PolarHBondContact O-N 2.94Å |
| 73 | R | 74.7 | Confident | 73.9 | Confident | 156 Ų | 156 | 57 Ų | 57 | 59% | 0.589 | 32% | 0.322 | S | S | * | . | trans | -97.8 | 152.3 | 175.1 | -73.6 | -173.6 | -173.7 | 148.9 | 2.4 | 112.4 | L70 G75 Q76 H113 D116 | L70-R73 HydrophobicContact CD1-CG 4.06Å; R73-G75 PolarHBondContact O-N 3.43Å; R73-Q76 HydrophobicContact CB-CB 4.32Å; R73-Q76 WeakPolarHBondContact O-CB 3.47Å; R73-Q76 PolarHBondContact O-N 3.35Å; R73-H113 WeakPolarHBondContact O-CB 3.42Å; R73-D116 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 74 | C | 72.4 | Confident | 73.8 | Confident | 79 Ų | 79 | 55.9 Ų | 55.9 | 53% | 0.534 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 131.5 | 160.7 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | Q76 H113 K114 D116 | C74-Q76 VanDerWaalsContact C-N 3.26Å; C74-Q76 PolarHBondContact O-N 2.86Å; C74-H113 CarbonylContact C-O 3.49Å; C74-H113 VanDerWaalsContact CA-O 3.3Å; C74-H113 WeakPolarHBondContact CA-O 3.5Å; C74-K114 PolarHBondContact SG-O 3.29Å; C74-D116 PolarHBondContact N-OD1 3.09Å |
| 75 | G | 59.9 | Low | 73.8 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 53% | 0.526 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -6.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R73 C112 H113 | R73-G75 PolarHBondContact O-N 3.43Å; G75-C112 PolarHBondContact O-SG 2.79Å; G75-C112 VanDerWaalsContact O-SG 3.41Å; G75-H113 PolarHBondContact N-O 3.49Å |
| 76 | Q | 64.3 | Low | 73.7 | Confident | 95 Ų | 95 | 48.4 Ų | 48.4 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | trans | -72.9 | 131.3 | 179.5 | -170.8 | -177 | -39.3 | 0 | 0 | 110.7 | R73 C74 N78 C112 H113 | R73-Q76 HydrophobicContact CB-CB 4.32Å; R73-Q76 WeakPolarHBondContact O-CB 3.47Å; R73-Q76 PolarHBondContact O-N 3.35Å; C74-Q76 VanDerWaalsContact C-N 3.26Å; C74-Q76 PolarHBondContact O-N 2.86Å; Q76-N78 PolarHBondContact O-N 2.89Å; Q76-C112 CarbonylContact O-C 3.38Å; Q76-C112 WeakPolarHBondContact O-CA 3Å; Q76-H113 PolarHBondContact O-CD2 3.27Å; Q76-H113 PolarHBondContact O-N 3.37Å | ||
| 77 | V | 61.1 | Low | 73.7 | Confident | 112 Ų | 112 | 42.6 Ų | 42.6 | 68% | 0.679 | 26% | 0.257 | S | S | * | . | B | Isolated β-bridge | trans | -55.9 | 115 | 177.6 | -176.8 | 0 | 0 | 0 | 0 | 110 | T79 G111 | V77-T79 PolarHBondContact O-N 3.35Å; V77-G111 CarbonylContact C-O 3.56Å; V77-G111 WeakPolarHBondContact CA-O 3.49Å; V77-G111 WeakPolarHBondContact CG1-O 3.46Å |
| 78 | N | 54.8 | Low | 73.9 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | trans | -72.5 | 111.5 | -177.2 | -160 | -13.6 | 0 | 0 | 0 | 109.2 | Q76 C80 E105 S108 G111 H113 | Q76-N78 PolarHBondContact O-N 2.89Å; N78-C80 PolarHBondContact O-N 3.17Å; N78-C80 VanDerWaalsContact O-N 3.12Å; N78-E105 PolarHBondContact ND2-OE2 2.84Å; N78-S108 WeakPolarHBondContact ND2-CB 3.37Å; N78-G111 VanDerWaalsContact CB-C 3.42Å; N78-G111 WeakPolarHBondContact CB-O 2.85Å; N78-G111 PolarHBondContact N-O 3.24Å; N78-H113 VanDerWaalsContact CG-CE1 3.42Å; N78-H113 PolarHBondContact OD1-CE1 2.99Å; N78-H113 PolarHBondContact OD1-NE2 2.84Å | ||
| 79 | T | 54.7 | Low | 74.2 | Confident | 74 Ų | 74 | 37.7 Ų | 37.7 | 45% | 0.454 | 21% | 0.211 | S | C | . | . | trans | -65.6 | 105.7 | 153.5 | 53.7 | 0 | 0 | 0 | 0 | 104.3 | V77 C81 | V77-T79 PolarHBondContact O-N 3.35Å; T79-C81 WeakPolarHBondContact O-CA 3.22Å; T79-C81 WeakPolarHBondContact O-CB 3.44Å; T79-C81 PolarHBondContact O-N 3.16Å; T79-C81 PolarHBondContact O-SG 2.91Å; T79-C81 PolarHBondContact OG1-SG 3.02Å; T79-C81 VanDerWaalsContact OG1-SG 3.34Å | ||
| 80 | C | 54.8 | Low | 74.3 | Confident | 25 Ų | 25 | 34.3 Ų | 34.3 | 17% | 0.169 | 20% | 0.195 | C | C | . | . | trans | -49 | 81.9 | -171.3 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | N78 C130 | N78-C80 PolarHBondContact O-N 3.17Å; N78-C80 VanDerWaalsContact O-N 3.12Å; C80-C130 WeakPolarHBondContact CB-O 3.39Å; C80-C130 WeakPolarHBondContact O-CA 3.39Å; C80-C130 WeakPolarHBondContact O-CB 3.39Å; C80-C130 PolarHBondContact O-N 3.39Å | ||
| 81 | C | 66 | Low | 74.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.4 | -164.5 | -74.6 | 0 | 0 | 0 | 0 | 109.1 | R61 T79 Y83 I128 | R61-C81 VanDerWaalsContact CZ-SG 3.57Å; R61-C81 PolarHBondContact NH1-SG 2.8Å; R61-C81 PolarHBondContact NH2-SG 3.42Å; T79-C81 WeakPolarHBondContact O-CA 3.22Å; T79-C81 WeakPolarHBondContact O-CB 3.44Å; T79-C81 PolarHBondContact O-N 3.16Å; T79-C81 PolarHBondContact O-SG 2.91Å; T79-C81 PolarHBondContact OG1-SG 3.02Å; T79-C81 VanDerWaalsContact OG1-SG 3.34Å; C81-Y83 HydrophobicContact CB-CD2 4.43Å; C81-Y83 HydrophobicContact CB-CE2 3.79Å; C81-Y83 WeakPolarHBondContact O-CD2 3.24Å; C81-I128 VanDerWaalsContact CA-O 3.24Å; C81-I128 WeakPolarHBondContact CA-O 3.46Å |
| 82 | C | 75.3 | Confident | 74.2 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.9 | 162.7 | 180 | 0 | 0 | 0 | 0 | 108.1 | L106 A127 I128 | C82-L106 HydrophobicContact CB-CD1 4.01Å; C82-L106 HydrophobicContact CB-CG 4.1Å; C82-A127 CarbonylContact O-C 3.54Å; C82-I128 HydrophobicContact CB-CB 4.42Å; C82-I128 PolarHBondContact N-O 2.94Å; C82-I128 PolarHBondContact O-N 2.92Å |
| 83 | Y | 85.5 | Confident | 73.8 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 139.2 | 173.5 | -61.9 | -91.9 | 0 | 0 | 0 | 109.6 | L71 F72 C81 S102 F103 M125 I126 A127 | L71-Y83 HydrophobicContact CD1-CE1 4.18Å; L71-Y83 HydrophobicContact CD2-CD1 4.07Å; L71-Y83 HydrophobicContact CD2-CD2 4.39Å; L71-Y83 HydrophobicContact CD2-CE1 3.94Å; L71-Y83 HydrophobicContact CD2-CE2 4.3Å; L71-Y83 HydrophobicContact CD2-CG 4.29Å; L71-Y83 HydrophobicContact CG-CE1 4.37Å; F72-Y83 HydrophobicContact CD1-CE2 4.16Å; F72-Y83 HydrophobicContact CE1-CD2 4.22Å; F72-Y83 AromaticContact CE1-CE2 3.78Å; F72-Y83 HydrophobicContact CE1-CE2 3.78Å; C81-Y83 HydrophobicContact CB-CD2 4.43Å; C81-Y83 HydrophobicContact CB-CE2 3.79Å; C81-Y83 WeakPolarHBondContact O-CD2 3.24Å; Y83-S102 CarbonylContact O-C 3.48Å; Y83-S102 WeakPolarHBondContact O-CA 3.32Å; Y83-F103 WeakPolarHBondContact CA-O 3.25Å; Y83-F103 VanDerWaalsContact CB-CE2 3.48Å; Y83-F103 WeakPolarHBondContact CB-O 3.22Å; Y83-F103 HydrophobicContact CD1-CZ 4.46Å; Y83-F103 HydrophobicContact CD2-CD2 4.39Å; Y83-F103 HydrophobicContact CD2-CE2 4.08Å; Y83-F103 HydrophobicContact CG-CD2 4.41Å; Y83-F103 AromaticContact CG-CE2 3.8Å; Y83-F103 HydrophobicContact CG-CE2 3.8Å; Y83-F103 AromaticContact CG-CZ 3.92Å; Y83-F103 HydrophobicContact CG-CZ 3.92Å; Y83-F103 PolarHBondContact N-O 3.49Å; Y83-F103 PolarHBondContact O-N 3.36Å; Y83-F103 VanDerWaalsContact O-O 3.12Å; Y83-M125 HydrophobicContact CD1-CG 4.01Å; Y83-M125 HydrophobicContact CD1-SD 3.62Å; Y83-M125 HydrophobicContact CE1-SD 4.17Å; Y83-M125 HydrophobicContact CG-SD 4.4Å; Y83-I126 CarbonylContact C-O 3.49Å; Y83-I126 WeakPolarHBondContact CA-O 3.42Å; Y83-A127 HydrophobicContact CD1-CB 3.72Å; Y83-A127 HydrophobicContact CE1-CB 3.6Å |
| 84 | V | 86 | Confident | 73.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 117.6 | 169.3 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | F38 L42 L45 L86 M125 I126 | F38-V84 HydrophobicContact CE1-CG1 4.02Å; L42-V84 HydrophobicContact CD1-CB 4.25Å; L42-V84 HydrophobicContact CD1-CG1 3.43Å; L42-V84 VanDerWaalsContact CD1-CG1 3.43Å; L42-V84 HydrophobicContact CD1-CG2 3.78Å; L45-V84 HydrophobicContact CD1-CG2 3.99Å; V84-L86 PolarHBondContact O-N 3.16Å; V84-M125 CarbonylContact O-C 3.51Å; V84-M125 WeakPolarHBondContact O-CA 3.28Å; V84-M125 WeakPolarHBondContact O-CB 3.39Å; V84-I126 HydrophobicContact CB-CB 4.21Å; V84-I126 PolarHBondContact N-O 2.94Å; V84-I126 PolarHBondContact O-N 3.46Å |
| 85 | L | 86.8 | Confident | 73 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 123.1 | 179.6 | -153.8 | 54.6 | 0 | 0 | 0 | 109.4 | S87 G88 I90 Y97 L100 D101 F103 M125 | L85-S87 WeakPolarHBondContact CD1-O 3.49Å; L85-S87 WeakPolarHBondContact CG-O 3.3Å; L85-G88 WeakPolarHBondContact CD2-O 3.31Å; L85-I90 HydrophobicContact CD1-CD1 3.41Å; L85-I90 VanDerWaalsContact CD1-CD1 3.41Å; L85-I90 HydrophobicContact CD1-CG1 4.03Å; L85-I90 HydrophobicContact CD2-CD1 4.23Å; L85-I90 HydrophobicContact CD2-CG1 4.17Å; L85-I90 HydrophobicContact CG-CD1 4.45Å; L85-Y97 WeakPolarHBondContact CD2-O 3.36Å; L85-L100 WeakPolarHBondContact O-CA 3.49Å; L85-L100 PolarHBondContact O-N 3.29Å; L85-D101 PolarHBondContact N-O 3.24Å; L85-F103 HydrophobicContact CB-CE1 3.95Å; L85-F103 HydrophobicContact CD1-CE1 4.1Å; L85-F103 HydrophobicContact CD1-CZ 4.42Å; L85-F103 HydrophobicContact CG-CE1 4.49Å; L85-M125 HydrophobicContact CD1-CB 4.06Å; L85-M125 HydrophobicContact CD1-CE 4.13Å |
| 86 | L | 83.2 | Confident | 73.9 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -28.8 | 173.8 | -65.5 | 177.8 | 0 | 0 | 0 | 111.5 | V12 L16 L20 F38 L62 V84 A124 I126 | V12-L86 HydrophobicContact CG1-CD1 4.2Å; V12-L86 HydrophobicContact CG1-CD2 4.31Å; V12-L86 HydrophobicContact CG2-CB 3.76Å; V12-L86 HydrophobicContact CG2-CD1 4.09Å; V12-L86 HydrophobicContact CG2-CD2 4.4Å; V12-L86 HydrophobicContact CG2-CG 4.31Å; L16-L86 HydrophobicContact CD2-CD2 4.47Å; L20-L86 HydrophobicContact CD1-CD1 4.27Å; F38-L86 HydrophobicContact CE1-CD2 3.72Å; F38-L86 HydrophobicContact CE2-CD2 4.46Å; F38-L86 HydrophobicContact CZ-CD2 3.53Å; L62-L86 HydrophobicContact CD1-CD1 3.65Å; V84-L86 PolarHBondContact O-N 3.16Å; L86-A124 WeakPolarHBondContact CA-O 3.15Å; L86-A124 HydrophobicContact CB-CB 4.28Å; L86-A124 WeakPolarHBondContact CB-O 3.46Å; L86-A124 PolarHBondContact N-O 3.34Å; L86-I126 HydrophobicContact CD1-CD1 4.42Å; L86-I126 HydrophobicContact CD1-CG1 3.75Å; L86-I126 HydrophobicContact CD2-CD1 3.96Å; L86-I126 HydrophobicContact CD2-CG1 3.94Å; L86-I126 HydrophobicContact CG-CD1 4.47Å; L86-I126 HydrophobicContact CG-CG1 3.89Å |
| 87 | S | 81.5 | Confident | 74.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 165.7 | -179.9 | 70.9 | 0 | 0 | 0 | 0 | 111.1 | P8 L85 S123 A124 | P8-S87 VanDerWaalsContact C-OG 3.24Å; P8-S87 WeakPolarHBondContact CA-OG 3.25Å; P8-S87 WeakPolarHBondContact CB-OG 3.49Å; P8-S87 WeakPolarHBondContact O-CB 3.44Å; P8-S87 PolarHBondContact O-OG 3.48Å; L85-S87 WeakPolarHBondContact CD1-O 3.49Å; L85-S87 WeakPolarHBondContact CG-O 3.3Å; S87-S123 VanDerWaalsContact O-CA 3.28Å; S87-S123 WeakPolarHBondContact O-CA 3.45Å; S87-S123 WeakPolarHBondContact O-CB 3.34Å; S87-S123 PolarHBondContact O-OG 2.99Å; S87-A124 PolarHBondContact N-O 3.03Å; S87-A124 PolarHBondContact O-N 3.25Å; S87-A124 PolarHBondContact OG-N 3.36Å; S87-A124 VanDerWaalsContact OG-N 3.16Å |
| 88 | G | 84.2 | Confident | 75.8 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 79.5 | -162 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L85 P99 S123 | L85-G88 WeakPolarHBondContact CD2-O 3.31Å; G88-P99 VanDerWaalsContact O-CD 3.27Å; G88-P99 WeakPolarHBondContact O-CD 3.48Å; G88-P99 WeakPolarHBondContact O-CG 3.31Å; G88-S123 WeakPolarHBondContact CA-OG 3.23Å |
| 89 | S | 83.4 | Confident | 77.1 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | trans | -146.9 | 145.8 | -177.2 | 49.2 | 0 | 0 | 0 | 0 | 110.9 | Y97 L120 E121 S123 | S89-Y97 VanDerWaalsContact CA-O 3.26Å; S89-Y97 WeakPolarHBondContact CA-O 2.94Å; S89-L120 WeakPolarHBondContact O-CB 3.43Å; S89-L120 PolarHBondContact O-N 3.22Å; S89-E121 PolarHBondContact O-N 3.29Å; S89-E121 WeakPolarHBondContact OG-CG 3.25Å; S89-E121 PolarHBondContact OG-OE2 2.66Å; S89-E121 VanDerWaalsContact OG-OE2 3.06Å; S89-S123 PolarHBondContact N-OG 2.79Å; S89-S123 PolarHBondContact O-OG 3.42Å | ||
| 90 | I | 87 | Confident | 77.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.6 | -175 | -68.9 | 175.5 | 0 | 0 | 0 | 109.3 | L85 I96 Y97 F103 C117 I118 V119 M125 | L85-I90 HydrophobicContact CD1-CD1 3.41Å; L85-I90 VanDerWaalsContact CD1-CD1 3.41Å; L85-I90 HydrophobicContact CD1-CG1 4.03Å; L85-I90 HydrophobicContact CD2-CD1 4.23Å; L85-I90 HydrophobicContact CD2-CG1 4.17Å; L85-I90 HydrophobicContact CG-CD1 4.45Å; I90-I96 CarbonylContact O-C 3.51Å; I90-I96 VanDerWaalsContact O-CA 3.26Å; I90-I96 WeakPolarHBondContact O-CA 3.36Å; I90-Y97 PolarHBondContact N-O 2.83Å; I90-Y97 PolarHBondContact O-N 3.06Å; I90-F103 HydrophobicContact CD1-CE1 3.65Å; I90-F103 HydrophobicContact CD1-CE2 3.62Å; I90-F103 HydrophobicContact CD1-CZ 3.06Å; I90-F103 HydrophobicContact CG1-CZ 4.43Å; I90-F103 HydrophobicContact CG2-CE2 4.26Å; I90-C117 WeakPolarHBondContact CG2-SG 3.28Å; I90-I118 CarbonylContact C-O 3.49Å; I90-I118 WeakPolarHBondContact CA-O 3.33Å; I90-V119 HydrophobicContact CG1-CG2 4.37Å; I90-M125 HydrophobicContact CD1-CE 3.57Å; I90-M125 HydrophobicContact CD1-SD 4.24Å |
| 91 | F | 81.2 | Confident | 79.1 | Confident | 70 Ų | 70 | 40 Ų | 40 | 31% | 0.307 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.5 | 174.6 | -176.1 | -102.8 | 0 | 0 | 0 | 110.6 | G94 R95 I96 I118 L120 | F91-G94 VanDerWaalsContact CE2-C 3.48Å; F91-G94 VanDerWaalsContact CZ-CA 3.43Å; F91-R95 WeakPolarHBondContact CA-O 3.31Å; F91-I96 HydrophobicContact CD2-CG1 3.83Å; F91-I118 PolarHBondContact N-O 3.23Å; F91-I118 PolarHBondContact O-N 3.17Å; F91-L120 HydrophobicContact CB-CD1 4.01Å; F91-L120 HydrophobicContact CB-CD2 3.82Å; F91-L120 HydrophobicContact CB-CG 3.9Å |
| 92 | I | 79.5 | Confident | 79.6 | Confident | 18 Ų | 18 | 40.6 Ų | 40.6 | 9% | 0.092 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 134 | 174.4 | -171.5 | 177.3 | 0 | 0 | 0 | 109.1 | F72 G94 R95 Y97 F115 C117 | F72-I92 HydrophobicContact CE2-CD1 3.66Å; F72-I92 HydrophobicContact CZ-CD1 3.66Å; I92-G94 PolarHBondContact O-N 3.32Å; I92-R95 PolarHBondContact N-O 2.75Å; I92-R95 PolarHBondContact O-N 2.97Å; I92-R95 VanDerWaalsContact O-O 3.14Å; I92-Y97 HydrophobicContact CG2-CD2 3.48Å; I92-Y97 VanDerWaalsContact CG2-CD2 3.48Å; I92-Y97 HydrophobicContact CG2-CE2 3.12Å; I92-F115 HydrophobicContact CD1-CB 4.39Å; I92-F115 HydrophobicContact CG1-CB 3.74Å; I92-C117 HydrophobicContact CB-CB 4.42Å; I92-C117 HydrophobicContact CD1-CB 4.12Å; I92-C117 HydrophobicContact CG1-CB 4.34Å |
| 93 | N | 74.6 | Confident | 79.8 | Confident | 82 Ų | 82 | 40.8 Ų | 40.8 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 47.7 | 178.5 | -167.6 | 21.6 | 0 | 0 | 0 | 114.7 | R95 F115 | N93-R95 PolarHBondContact O-N 2.71Å; N93-R95 VanDerWaalsContact O-N 3.11Å; N93-F115 HydrophobicContact CB-CB 4.43Å; N93-F115 HydrophobicContact CB-CD1 3.93Å; N93-F115 HydrophobicContact CB-CD2 3.66Å; N93-F115 HydrophobicContact CB-CE1 4.06Å; N93-F115 HydrophobicContact CB-CE2 3.8Å; N93-F115 HydrophobicContact CB-CG 3.73Å; N93-F115 HydrophobicContact CB-CZ 4Å; N93-F115 WeakPolarHBondContact ND2-CZ 3.49Å; N93-F115 WeakPolarHBondContact OD1-CE1 3.46Å; N93-F115 WeakPolarHBondContact OD1-CZ 3.25Å |
| 94 | G | 63 | Low | 79 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 49% | 0.485 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 2.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F91 I92 | F91-G94 VanDerWaalsContact CE2-C 3.48Å; F91-G94 VanDerWaalsContact CZ-CA 3.43Å; I92-G94 PolarHBondContact O-N 3.32Å |
| 95 | R | 66.7 | Low | 77.6 | Confident | 149 Ų | 149 | 42.7 Ų | 42.7 | 56% | 0.562 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 140.7 | -179.4 | -64.5 | -174.6 | -178.8 | -177.6 | 2.1 | 111.2 | F91 I92 N93 Y97 | F91-R95 WeakPolarHBondContact CA-O 3.31Å; I92-R95 PolarHBondContact N-O 2.75Å; I92-R95 PolarHBondContact O-N 2.97Å; I92-R95 VanDerWaalsContact O-O 3.14Å; N93-R95 PolarHBondContact O-N 2.71Å; N93-R95 VanDerWaalsContact O-N 3.11Å; R95-Y97 HydrophobicContact CB-CD2 4.44Å; R95-Y97 HydrophobicContact CB-CE2 3.9Å |
| 96 | I | 78.6 | Confident | 75.8 | Confident | 77 Ų | 77 | 44.1 Ų | 44.1 | 40% | 0.395 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.4 | 171.4 | -59.5 | 174 | 0 | 0 | 0 | 108.4 | I90 F91 L98 L120 | I90-I96 CarbonylContact O-C 3.51Å; I90-I96 VanDerWaalsContact O-CA 3.26Å; I90-I96 WeakPolarHBondContact O-CA 3.36Å; F91-I96 HydrophobicContact CD2-CG1 3.83Å; I96-L98 HydrophobicContact CG2-CD2 4.17Å; I96-L120 HydrophobicContact CD1-CD1 4.03Å; I96-L120 HydrophobicContact CG1-CD1 3.95Å; I96-L120 HydrophobicContact CG2-CD1 4Å |
| 97 | Y | 81.4 | Confident | 74 | Confident | 57 Ų | 57 | 49.6 Ų | 49.6 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135.8 | 173.3 | -71.4 | -105.6 | 0 | 0 | 0 | 109 | L85 S89 I90 I92 R95 D101 S102 F103 | L85-Y97 WeakPolarHBondContact CD2-O 3.36Å; S89-Y97 VanDerWaalsContact CA-O 3.26Å; S89-Y97 WeakPolarHBondContact CA-O 2.94Å; I90-Y97 PolarHBondContact N-O 2.83Å; I90-Y97 PolarHBondContact O-N 3.06Å; I92-Y97 HydrophobicContact CG2-CD2 3.48Å; I92-Y97 VanDerWaalsContact CG2-CD2 3.48Å; I92-Y97 HydrophobicContact CG2-CE2 3.12Å; R95-Y97 HydrophobicContact CB-CD2 4.44Å; R95-Y97 HydrophobicContact CB-CE2 3.9Å; Y97-D101 HydrophobicContact CD1-CB 3.73Å; Y97-D101 HydrophobicContact CG-CB 4.45Å; Y97-S102 WeakPolarHBondContact CE1-O 3.23Å; Y97-F103 HydrophobicContact CD1-CB 3.6Å; Y97-F103 HydrophobicContact CD1-CD1 4.31Å; Y97-F103 HydrophobicContact CD1-CG 4.26Å; Y97-F103 HydrophobicContact CE1-CB 3.58Å; Y97-F103 HydrophobicContact CG-CB 4.13Å; Y97-F103 HydrophobicContact CG-CG 4.48Å |
| 98 | L | 83.3 | Confident | 72.2 | Confident | 82 Ų | 82 | 50.1 Ų | 50.1 | 43% | 0.429 | 27% | 0.265 | S | S | . | . | trans | -115.4 | 170.9 | -176 | -66.9 | -179.4 | 0 | 0 | 0 | 110.5 | I96 L100 D101 | I96-L98 HydrophobicContact CG2-CD2 4.17Å; L98-L100 PolarHBondContact O-N 2.64Å; L98-D101 PolarHBondContact N-OD2 3.02Å; L98-D101 VanDerWaalsContact O-CB 3.3Å; L98-D101 WeakPolarHBondContact O-CB 3.48Å; L98-D101 PolarHBondContact O-N 3.41Å | ||
| 99 | P | 81.4 | Confident | 70.4 | Confident | 60 Ų | 60 | 51.3 Ų | 51.3 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 136.9 | -178.7 | -25.7 | 37.2 | 0 | 0 | 0 | 111.6 | G88 D101 | G88-P99 VanDerWaalsContact O-CD 3.27Å; G88-P99 WeakPolarHBondContact O-CD 3.48Å; G88-P99 WeakPolarHBondContact O-CG 3.31Å; P99-D101 VanDerWaalsContact C-N 3.34Å |
| 100 | L | 72.9 | Confident | 68.8 | Low | 98 Ų | 98 | 53.4 Ų | 53.4 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -7.1 | -171.2 | -52.3 | 171.8 | 0 | 0 | 0 | 116 | F38 L42 L85 L98 | F38-L100 HydrophobicContact CE2-CD2 3.88Å; F38-L100 HydrophobicContact CZ-CD2 3.7Å; L42-L100 HydrophobicContact CD2-CB 4.41Å; L42-L100 WeakPolarHBondContact CD2-O 3.49Å; L85-L100 WeakPolarHBondContact O-CA 3.49Å; L85-L100 PolarHBondContact O-N 3.29Å; L98-L100 PolarHBondContact O-N 2.64Å |
| 101 | D | 79 | Confident | 67.1 | Low | 68 Ų | 68 | 54.2 Ų | 54.2 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | trans | -73.4 | 138.5 | 171.5 | -63.3 | -28.9 | 0 | 0 | 0 | 110.8 | L85 Y97 L98 P99 | L85-D101 PolarHBondContact N-O 3.24Å; Y97-D101 HydrophobicContact CD1-CB 3.73Å; Y97-D101 HydrophobicContact CG-CB 4.45Å; L98-D101 PolarHBondContact N-OD2 3.02Å; L98-D101 VanDerWaalsContact O-CB 3.3Å; L98-D101 WeakPolarHBondContact O-CB 3.48Å; L98-D101 PolarHBondContact O-N 3.41Å; P99-D101 VanDerWaalsContact C-N 3.34Å | ||
| 102 | S | 77.4 | Confident | 66.1 | Low | 12 Ų | 12 | 52 Ų | 52 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 141.7 | 167.1 | 43.4 | 0 | 0 | 0 | 0 | 111.1 | E44 Y83 Y97 | E44-S102 WeakPolarHBondContact OE2-CB 3.28Å; E44-S102 PolarHBondContact OE2-OG 3.17Å; Y83-S102 CarbonylContact O-C 3.48Å; Y83-S102 WeakPolarHBondContact O-CA 3.32Å; Y97-S102 WeakPolarHBondContact CE1-O 3.23Å |
| 103 | F | 78.6 | Confident | 65.2 | Low | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 172 | 179.6 | 64.4 | -80.9 | 0 | 0 | 0 | 110.5 | L71 Y83 L85 I90 Y97 M125 | L71-F103 HydrophobicContact CD2-CE2 3.58Å; L71-F103 HydrophobicContact CD2-CZ 4.14Å; Y83-F103 WeakPolarHBondContact CA-O 3.25Å; Y83-F103 VanDerWaalsContact CB-CE2 3.48Å; Y83-F103 WeakPolarHBondContact CB-O 3.22Å; Y83-F103 HydrophobicContact CD1-CZ 4.46Å; Y83-F103 HydrophobicContact CD2-CD2 4.39Å; Y83-F103 HydrophobicContact CD2-CE2 4.08Å; Y83-F103 HydrophobicContact CG-CD2 4.41Å; Y83-F103 AromaticContact CG-CE2 3.8Å; Y83-F103 HydrophobicContact CG-CE2 3.8Å; Y83-F103 AromaticContact CG-CZ 3.92Å; Y83-F103 HydrophobicContact CG-CZ 3.92Å; Y83-F103 PolarHBondContact N-O 3.49Å; Y83-F103 PolarHBondContact O-N 3.36Å; Y83-F103 VanDerWaalsContact O-O 3.12Å; L85-F103 HydrophobicContact CB-CE1 3.95Å; L85-F103 HydrophobicContact CD1-CE1 4.1Å; L85-F103 HydrophobicContact CD1-CZ 4.42Å; L85-F103 HydrophobicContact CG-CE1 4.49Å; I90-F103 HydrophobicContact CD1-CE1 3.65Å; I90-F103 HydrophobicContact CD1-CE2 3.62Å; I90-F103 HydrophobicContact CD1-CZ 3.06Å; I90-F103 HydrophobicContact CG1-CZ 4.43Å; I90-F103 HydrophobicContact CG2-CE2 4.26Å; Y97-F103 HydrophobicContact CD1-CB 3.6Å; Y97-F103 HydrophobicContact CD1-CD1 4.31Å; Y97-F103 HydrophobicContact CD1-CG 4.26Å; Y97-F103 HydrophobicContact CE1-CB 3.58Å; Y97-F103 HydrophobicContact CG-CB 4.13Å; Y97-F103 HydrophobicContact CG-CG 4.48Å; F103-M125 HydrophobicContact CZ-SD 3.85Å |
| 104 | G | 68.7 | Low | 64.6 | Low | 26 Ų | 26 | 49.5 Ų | 49.5 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 85.4 | 160.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 105 | E | 57.4 | Low | 65.1 | Low | 23 Ų | 23 | 50.8 Ų | 50.8 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | trans | -98 | 118.5 | -170.7 | -66.3 | 174.7 | 166.7 | 0 | 0 | 109.6 | N78 F107 S108 | N78-E105 PolarHBondContact ND2-OE2 2.84Å; E105-F107 PolarHBondContact O-N 3.28Å; E105-S108 WeakPolarHBondContact OE2-CB 3.48Å; E105-S108 PolarHBondContact OE2-OG 3.36Å | ||
| 106 | L | 49.7 | Very low | 65.7 | Low | 30 Ų | 30 | 47.2 Ų | 47.2 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -65.5 | -28.3 | 165.2 | -101 | 129.7 | 0 | 0 | 0 | 111.7 | F48 C82 C130 | F48-L106 HydrophobicContact CE1-CD2 4.08Å; F48-L106 HydrophobicContact CE2-CD1 3.95Å; F48-L106 HydrophobicContact CE2-CD2 4.08Å; F48-L106 HydrophobicContact CZ-CD1 3.82Å; F48-L106 HydrophobicContact CZ-CD2 3.44Å; F48-L106 VanDerWaalsContact CZ-CD2 3.44Å; F48-L106 HydrophobicContact CZ-CG 4.24Å; C82-L106 HydrophobicContact CB-CD1 4.01Å; C82-L106 HydrophobicContact CB-CG 4.1Å; L106-C130 HydrophobicContact CD2-CB 3.83Å; L106-C130 WeakPolarHBondContact CD2-SG 3.41Å; L106-C130 HydrophobicContact CG-CB 4.46Å |
| 107 | F | 44.2 | Very low | 66 | Low | 123 Ų | 123 | 43.5 Ų | 43.5 | 54% | 0.539 | 24% | 0.236 | S | C | . | . | trans | -139 | 81.9 | -174.8 | -54.8 | -71.8 | 0 | 0 | 0 | 108.6 | E105 | E105-F107 PolarHBondContact O-N 3.28Š| ||
| 108 | S | 43.5 | Very low | 66.3 | Low | 11 Ų | 11 | 43.7 Ų | 43.7 | 8% | 0.077 | 24% | 0.24 | C | C | . | . | trans | -90.5 | 116.6 | 166.4 | -166.1 | 0 | 0 | 0 | 0 | 108.5 | N78 E105 N110 G111 C112 | N78-S108 WeakPolarHBondContact ND2-CB 3.37Å; E105-S108 WeakPolarHBondContact OE2-CB 3.48Å; E105-S108 PolarHBondContact OE2-OG 3.36Å; S108-N110 VanDerWaalsContact C-N 3.3Å; S108-N110 PolarHBondContact O-N 2.9Å; S108-G111 WeakPolarHBondContact O-CA 3.48Å; S108-G111 PolarHBondContact O-N 3.17Å; S108-C112 PolarHBondContact OG-N 2.88Å; S108-C112 PolarHBondContact OG-O 3Å | ||
| 109 | A | 46 | Very low | 66.5 | Low | 29 Ų | 29 | 39.8 Ų | 39.8 | 24% | 0.24 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -16.1 | -161.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R375 | A109-R375 HydrophobicContact CB-CB 4.13Å; A109-R375 HydrophobicContact CB-CG 4.21Å; A109-R375 VanDerWaalsContact O-CZ 3.25Å; A109-R375 PolarHBondContact O-NE 3.42Å; A109-R375 PolarHBondContact O-NH2 2.87Å |
| 110 | N | 50 | Low | 66.5 | Low | 54 Ų | 54 | 40.2 Ų | 40.2 | 29% | 0.289 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 1.6 | 165 | 7 | -20.2 | 0 | 0 | 0 | 111.2 | S108 C112 S374 R375 | S108-N110 VanDerWaalsContact C-N 3.3Å; S108-N110 PolarHBondContact O-N 2.9Å; N110-C112 PolarHBondContact O-N 2.75Å; N110-S374 VanDerWaalsContact ND2-CA 3.33Å; N110-S374 WeakPolarHBondContact ND2-CA 3.29Å; N110-S374 WeakPolarHBondContact ND2-CB 3.41Å; N110-R375 PolarHBondContact ND2-N 3.33Å; N110-R375 PolarHBondContact ND2-O 3.21Å; N110-R375 VanDerWaalsContact OD1-CA 3.24Å; N110-R375 WeakPolarHBondContact OD1-CA 3.16Å; N110-R375 WeakPolarHBondContact OD1-CB 3.18Å; N110-R375 PolarHBondContact OD1-N 2.87Å; N110-R375 PolarHBondContact OD1-O 3.36Å; N110-R375 VanDerWaalsContact OD1-O 3.06Å |
| 111 | G | 51.1 | Low | 66.9 | Low | 16 Ų | 16 | 38.8 Ų | 38.8 | 17% | 0.165 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 56.5 | 37.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V77 N78 S108 | V77-G111 CarbonylContact C-O 3.56Å; V77-G111 WeakPolarHBondContact CA-O 3.49Å; V77-G111 WeakPolarHBondContact CG1-O 3.46Å; N78-G111 VanDerWaalsContact CB-C 3.42Å; N78-G111 WeakPolarHBondContact CB-O 2.85Å; N78-G111 PolarHBondContact N-O 3.24Å; S108-G111 WeakPolarHBondContact O-CA 3.48Å; S108-G111 PolarHBondContact O-N 3.17Å |
| 112 | C | 60.9 | Low | 67.1 | Low | 25 Ų | 25 | 38 Ų | 38 | 17% | 0.169 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -137.1 | 137.8 | 177.9 | -70.1 | 0 | 0 | 0 | 0 | 111.5 | G75 Q76 S108 N110 K114 | G75-C112 PolarHBondContact O-SG 2.79Å; G75-C112 VanDerWaalsContact O-SG 3.41Å; Q76-C112 CarbonylContact O-C 3.38Å; Q76-C112 WeakPolarHBondContact O-CA 3Å; S108-C112 PolarHBondContact OG-N 2.88Å; S108-C112 PolarHBondContact OG-O 3Å; N110-C112 PolarHBondContact O-N 2.75Å; C112-K114 PolarHBondContact O-N 3.41Å |
| 113 | H | 61.4 | Low | 67.5 | Low | 7 Ų | 7 | 37.4 Ų | 37.4 | 3% | 0.032 | 20% | 0.204 | C | C | . | . | trans | -64.6 | 133.5 | 176.9 | -65.4 | -79.7 | 0 | 0 | 0 | 111.5 | F72 R73 C74 G75 Q76 N78 | F72-H113 HydrophobicContact CB-CB 4.4Å; F72-H113 WeakPolarHBondContact CB-CD2 3.48Å; F72-H113 AromaticContact CD1-CE1 3.38Å; F72-H113 WeakPolarHBondContact CD1-CE1 3.27Å; F72-H113 AromaticContact CD1-ND1 3.68Å; F72-H113 AromaticContact CD1-NE2 3.7Å; F72-H113 HydrophobicContact CD2-CB 3.41Å; F72-H113 VanDerWaalsContact CD2-CB 3.41Å; F72-H113 AromaticContact CD2-CD2 3.78Å; F72-H113 AromaticContact CD2-CE1 3.82Å; F72-H113 AromaticContact CD2-CG 3.2Å; F72-H113 AromaticContact CD2-ND1 3.25Å; F72-H113 VanDerWaalsContact CD2-ND1 3.25Å; F72-H113 WeakPolarHBondContact CD2-ND1 3.48Å; F72-H113 AromaticContact CE1-CE1 3.62Å; F72-H113 AromaticContact CE1-ND1 3.75Å; F72-H113 HydrophobicContact CE2-CB 3.85Å; F72-H113 AromaticContact CE2-CE1 3.99Å; F72-H113 AromaticContact CE2-CG 3.67Å; F72-H113 AromaticContact CE2-ND1 3.28Å; F72-H113 VanDerWaalsContact CE2-ND1 3.28Å; F72-H113 WeakPolarHBondContact CE2-ND1 3.3Å; F72-H113 HydrophobicContact CG-CB 4.12Å; F72-H113 AromaticContact CG-CD2 3.54Å; F72-H113 AromaticContact CG-CE1 3.48Å; F72-H113 VanDerWaalsContact CG-CE1 3.48Å; F72-H113 WeakPolarHBondContact CG-CE1 3.47Å; F72-H113 AromaticContact CG-CG 3.46Å; F72-H113 VanDerWaalsContact CG-CG 3.46Å; F72-H113 AromaticContact CG-ND1 3.44Å; F72-H113 WeakPolarHBondContact CG-ND1 3.38Å; F72-H113 AromaticContact CG-NE2 3.55Å; F72-H113 AromaticContact CZ-CE1 3.91Å; F72-H113 AromaticContact CZ-ND1 3.54Å; R73-H113 WeakPolarHBondContact O-CB 3.42Å; C74-H113 CarbonylContact C-O 3.49Å; C74-H113 VanDerWaalsContact CA-O 3.3Å; C74-H113 WeakPolarHBondContact CA-O 3.5Å; G75-H113 PolarHBondContact N-O 3.49Å; Q76-H113 PolarHBondContact O-CD2 3.27Å; Q76-H113 PolarHBondContact O-N 3.37Å; N78-H113 VanDerWaalsContact CG-CE1 3.42Å; N78-H113 PolarHBondContact OD1-CE1 2.99Å; N78-H113 PolarHBondContact OD1-NE2 2.84Å | ||
| 114 | K | 61.1 | Low | 67.9 | Low | 39 Ų | 39 | 37.1 Ų | 37.1 | 17% | 0.17 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -82.4 | -21.9 | -178.4 | -70.4 | 174.9 | -175.7 | 158.4 | 0 | 114.9 | C74 C112 R375 E377 | C74-K114 PolarHBondContact SG-O 3.29Å; C112-K114 PolarHBondContact O-N 3.41Å; K114-R375 WeakPolarHBondContact CE-O 3.31Å; K114-E377 VanDerWaalsContact NZ-N 3.13Å; K114-E377 IonicContact NZ-OE1 2.68Å; K114-E377 PolarHBondContact NZ-OE1 3.37Å; K114-E377 IonicContact NZ-OE2 3.28Å |
| 115 | F | 73.2 | Confident | 68.9 | Low | 75 Ų | 75 | 35.9 Ų | 35.9 | 33% | 0.329 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -133.7 | 148.6 | -175.6 | -59.2 | -75.7 | 0 | 0 | 0 | 110.1 | F72 I92 N93 C117 | F72-F115 WeakPolarHBondContact CD2-O 3.41Å; F72-F115 WeakPolarHBondContact CE2-O 3.26Å; I92-F115 HydrophobicContact CD1-CB 4.39Å; I92-F115 HydrophobicContact CG1-CB 3.74Å; N93-F115 HydrophobicContact CB-CB 4.43Å; N93-F115 HydrophobicContact CB-CD1 3.93Å; N93-F115 HydrophobicContact CB-CD2 3.66Å; N93-F115 HydrophobicContact CB-CE1 4.06Å; N93-F115 HydrophobicContact CB-CE2 3.8Å; N93-F115 HydrophobicContact CB-CG 3.73Å; N93-F115 HydrophobicContact CB-CZ 4Å; N93-F115 WeakPolarHBondContact ND2-CZ 3.49Å; N93-F115 WeakPolarHBondContact OD1-CE1 3.46Å; N93-F115 WeakPolarHBondContact OD1-CZ 3.25Å; F115-C117 PolarHBondContact O-N 3.4Å |
| 116 | D | 80.6 | Confident | 70.3 | Confident | 73 Ų | 73 | 34.8 Ų | 34.8 | 39% | 0.39 | 18% | 0.184 | S | C | . | . | trans | -62.3 | 127.6 | 164 | -76.2 | -8.2 | 0 | 0 | 0 | 108.9 | L70 R73 C74 | L70-D116 HydrophobicContact CD2-CB 3.66Å; R73-D116 WeakPolarHBondContact CA-OD1 3.49Å; C74-D116 PolarHBondContact N-OD1 3.09Å | ||
| 117 | C | 84.5 | Confident | 72.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 108.3 | 175.2 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | L70 L71 F72 I90 I92 F115 | L70-C117 CarbonylContact C-O 3.6Å; L70-C117 WeakPolarHBondContact CA-O 3.38Å; L71-C117 HydrophobicContact CB-CB 4.21Å; L71-C117 PolarHBondContact N-O 2.96Å; F72-C117 HydrophobicContact CD1-CB 4.03Å; F72-C117 HydrophobicContact CD2-CB 3.51Å; F72-C117 HydrophobicContact CE1-CB 3.72Å; F72-C117 HydrophobicContact CE2-CB 3.19Å; F72-C117 HydrophobicContact CG-CB 3.94Å; F72-C117 HydrophobicContact CZ-CB 3.3Å; F72-C117 PolarHBondContact O-N 2.94Å; I90-C117 WeakPolarHBondContact CG2-SG 3.28Å; I92-C117 HydrophobicContact CB-CB 4.42Å; I92-C117 HydrophobicContact CD1-CB 4.12Å; I92-C117 HydrophobicContact CG1-CB 4.34Å; F115-C117 PolarHBondContact O-N 3.4Å |
| 118 | I | 87 | Confident | 73.8 | Confident | 60 Ų | 60 | 27.5 Ų | 27.5 | 31% | 0.308 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.8 | -175.4 | -57.5 | 169.1 | 0 | 0 | 0 | 108.9 | L70 I90 F91 L120 | L70-I118 HydrophobicContact CD2-CG1 3.59Å; L70-I118 HydrophobicContact CG-CG1 4.4Å; I90-I118 CarbonylContact C-O 3.49Å; I90-I118 WeakPolarHBondContact CA-O 3.33Å; F91-I118 PolarHBondContact N-O 3.23Å; F91-I118 PolarHBondContact O-N 3.17Å; I118-L120 PolarHBondContact O-N 3.35Å |
| 119 | V | 88.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 114.7 | 173.4 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | R65 H66 A67 G68 E69 L71 I90 E121 | R65-V119 HydrophobicContact CB-CB 4.45Å; R65-V119 HydrophobicContact CB-CG1 4.13Å; R65-V119 HydrophobicContact CB-CG2 3.8Å; R65-V119 HydrophobicContact CG-CG2 4.3Å; H66-V119 WeakPolarHBondContact O-CB 3.44Å; H66-V119 VanDerWaalsContact O-CG1 3.28Å; H66-V119 WeakPolarHBondContact O-CG1 3.45Å; A67-V119 CarbonylContact C-O 3.5Å; G68-V119 PolarHBondContact N-O 2.96Å; E69-V119 WeakPolarHBondContact O-CB 3.36Å; E69-V119 PolarHBondContact O-N 3.41Å; L71-V119 HydrophobicContact CB-CG2 4.26Å; I90-V119 HydrophobicContact CG1-CG2 4.37Å; V119-E121 WeakPolarHBondContact CG1-O 3.32Å |
| 120 | L | 80.9 | Confident | 75.9 | Confident | 70 Ų | 70 | 28.6 Ų | 28.6 | 37% | 0.366 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -81.7 | -37.6 | -177 | -62.7 | -178.9 | 0 | 0 | 0 | 112.1 | A67 S89 F91 I96 I118 | A67-L120 WeakPolarHBondContact CB-O 3.2Å; S89-L120 WeakPolarHBondContact O-CB 3.43Å; S89-L120 PolarHBondContact O-N 3.22Å; F91-L120 HydrophobicContact CB-CD1 4.01Å; F91-L120 HydrophobicContact CB-CD2 3.82Å; F91-L120 HydrophobicContact CB-CG 3.9Å; I96-L120 HydrophobicContact CD1-CD1 4.03Å; I96-L120 HydrophobicContact CG1-CD1 3.95Å; I96-L120 HydrophobicContact CG2-CD1 4Å; I118-L120 PolarHBondContact O-N 3.35Å |
| 121 | E | 81.2 | Confident | 76.1 | Confident | 68 Ų | 68 | 27.9 Ų | 27.9 | 32% | 0.318 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -129.1 | 155.5 | 178.2 | -69.4 | 177.8 | 151.3 | 0 | 0 | 109.8 | S89 V119 S123 | S89-E121 PolarHBondContact O-N 3.29Å; S89-E121 WeakPolarHBondContact OG-CG 3.25Å; S89-E121 PolarHBondContact OG-OE2 2.66Å; S89-E121 VanDerWaalsContact OG-OE2 3.06Å; V119-E121 WeakPolarHBondContact CG1-O 3.32Å; E121-S123 WeakPolarHBondContact O-CB 3.24Å; E121-S123 PolarHBondContact O-N 3.31Å; E121-S123 PolarHBondContact O-OG 3.38Å |
| 122 | P | 82.8 | Confident | 75.9 | Confident | 50 Ų | 50 | 29.9 Ų | 29.9 | 33% | 0.325 | 18% | 0.179 | S | C | . | . | trans | -51.7 | 116.6 | 174.5 | -23.2 | 34.8 | 0 | 0 | 0 | 110.6 | R65 A67 | R65-P122 CarbonylContact O-C 3.45Å; R65-P122 WeakPolarHBondContact O-CA 3.34Å; A67-P122 HydrophobicContact CB-CG 4.41Å | ||
| 123 | S | 85.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.3 | -164.8 | -68.3 | 0 | 0 | 0 | 0 | 110.5 | I64 R65 S87 G88 S89 E121 | I64-S123 CarbonylContact C-O 3.55Å; I64-S123 WeakPolarHBondContact CA-O 3.32Å; R65-S123 PolarHBondContact N-O 2.66Å; R65-S123 PolarHBondContact O-N 3.03Å; S87-S123 VanDerWaalsContact O-CA 3.28Å; S87-S123 WeakPolarHBondContact O-CA 3.45Å; S87-S123 WeakPolarHBondContact O-CB 3.34Å; S87-S123 PolarHBondContact O-OG 2.99Å; G88-S123 WeakPolarHBondContact CA-OG 3.23Å; S89-S123 PolarHBondContact N-OG 2.79Å; S89-S123 PolarHBondContact O-OG 3.42Å; E121-S123 WeakPolarHBondContact O-CB 3.24Å; E121-S123 PolarHBondContact O-N 3.31Å; E121-S123 PolarHBondContact O-OG 3.38Å |
| 124 | A | 87.4 | Confident | 73.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 139.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | P8 L9 E63 I64 L86 S87 | P8-A124 HydrophobicContact CB-CB 3.66Å; P8-A124 HydrophobicContact CG-CB 4.13Å; L9-A124 HydrophobicContact CD2-CB 3.32Å; L9-A124 HydrophobicContact CG-CB 4.07Å; E63-A124 CarbonylContact O-C 3.59Å; E63-A124 WeakPolarHBondContact O-CA 3.33Å; I64-A124 HydrophobicContact CG1-CB 4.42Å; L86-A124 WeakPolarHBondContact CA-O 3.15Å; L86-A124 HydrophobicContact CB-CB 4.28Å; L86-A124 WeakPolarHBondContact CB-O 3.46Å; L86-A124 PolarHBondContact N-O 3.34Å; S87-A124 PolarHBondContact N-O 3.03Å; S87-A124 PolarHBondContact O-N 3.25Å; S87-A124 PolarHBondContact OG-N 3.36Å; S87-A124 VanDerWaalsContact OG-N 3.16Å |
| 125 | M | 89 | Confident | 72.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 149.1 | -178.1 | 61.9 | -163 | 76.4 | 0 | 0 | 111.1 | E63 R65 L71 Y83 V84 L85 I90 F103 | E63-M125 HydrophobicContact CB-CG 3.85Å; E63-M125 PolarHBondContact N-O 3.21Å; E63-M125 PolarHBondContact O-N 2.68Å; R65-M125 HydrophobicContact CB-CE 4.27Å; R65-M125 HydrophobicContact CG-CE 3.89Å; L71-M125 HydrophobicContact CD1-CE 4.36Å; L71-M125 HydrophobicContact CD1-SD 3.78Å; L71-M125 HydrophobicContact CD2-CE 4.47Å; L71-M125 HydrophobicContact CD2-SD 3.68Å; L71-M125 HydrophobicContact CG-SD 4.41Å; Y83-M125 HydrophobicContact CD1-CG 4.01Å; Y83-M125 HydrophobicContact CD1-SD 3.62Å; Y83-M125 HydrophobicContact CE1-SD 4.17Å; Y83-M125 HydrophobicContact CG-SD 4.4Å; V84-M125 CarbonylContact O-C 3.51Å; V84-M125 WeakPolarHBondContact O-CA 3.28Å; V84-M125 WeakPolarHBondContact O-CB 3.39Å; L85-M125 HydrophobicContact CD1-CB 4.06Å; L85-M125 HydrophobicContact CD1-CE 4.13Å; I90-M125 HydrophobicContact CD1-CE 3.57Å; I90-M125 HydrophobicContact CD1-SD 4.24Å; F103-M125 HydrophobicContact CZ-SD 3.85Å |
| 126 | I | 88.4 | Confident | 70.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 116.5 | 168 | -51.3 | -178.8 | 0 | 0 | 0 | 107 | L20 F38 A60 R61 Y83 V84 L86 I128 | L20-I126 HydrophobicContact CD1-CD1 3.77Å; L20-I126 HydrophobicContact CD1-CG1 3.76Å; L20-I126 HydrophobicContact CD2-CD1 4.49Å; L20-I126 HydrophobicContact CD2-CG1 4.46Å; L20-I126 HydrophobicContact CD2-CG2 4.07Å; F38-I126 HydrophobicContact CD1-CD1 3.78Å; F38-I126 HydrophobicContact CE1-CD1 3.68Å; A60-I126 HydrophobicContact CB-CG2 3.71Å; R61-I126 CarbonylContact O-C 3.33Å; R61-I126 WeakPolarHBondContact O-CA 3.5Å; Y83-I126 CarbonylContact C-O 3.49Å; Y83-I126 WeakPolarHBondContact CA-O 3.42Å; V84-I126 HydrophobicContact CB-CB 4.21Å; V84-I126 PolarHBondContact N-O 2.94Å; V84-I126 PolarHBondContact O-N 3.46Å; L86-I126 HydrophobicContact CD1-CD1 4.42Å; L86-I126 HydrophobicContact CD1-CG1 3.75Å; L86-I126 HydrophobicContact CD2-CD1 3.96Å; L86-I126 HydrophobicContact CD2-CG1 3.94Å; L86-I126 HydrophobicContact CG-CD1 4.47Å; L86-I126 HydrophobicContact CG-CG1 3.89Å; I126-I128 HydrophobicContact CG2-CD1 4.36Å; I126-I128 HydrophobicContact CG2-CG1 3.83Å |
| 127 | A | 86.9 | Confident | 68 | Low | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | A60 R61 E63 C82 Y83 | A60-A127 CarbonylContact C-O 3.55Å; A60-A127 WeakPolarHBondContact CA-O 3.43Å; R61-A127 HydrophobicContact CG-CB 3.52Å; R61-A127 WeakPolarHBondContact CG-O 3.38Å; R61-A127 PolarHBondContact N-O 3.05Å; R61-A127 PolarHBondContact O-N 2.75Å; E63-A127 HydrophobicContact CG-CB 4.24Å; C82-A127 CarbonylContact O-C 3.54Å; Y83-A127 HydrophobicContact CD1-CB 3.72Å; Y83-A127 HydrophobicContact CE1-CB 3.6Å |
| 128 | I | 79.6 | Confident | 65.2 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 109.4 | -179.4 | -57.3 | 178.4 | 0 | 0 | 0 | 107 | L45 L56 A60 C81 C82 I126 C130 | L45-I128 HydrophobicContact CD1-CD1 3.99Å; L56-I128 HydrophobicContact CB-CG2 3.77Å; L56-I128 HydrophobicContact CD2-CG2 4.32Å; L56-I128 HydrophobicContact CG-CG2 4.47Å; A60-I128 HydrophobicContact CB-CG1 4.09Å; C81-I128 VanDerWaalsContact CA-O 3.24Å; C81-I128 WeakPolarHBondContact CA-O 3.46Å; C82-I128 HydrophobicContact CB-CB 4.42Å; C82-I128 PolarHBondContact N-O 2.94Å; C82-I128 PolarHBondContact O-N 2.92Å; I126-I128 HydrophobicContact CG2-CD1 4.36Å; I126-I128 HydrophobicContact CG2-CG1 3.83Å; I128-C130 PolarHBondContact O-N 2.9Å; I128-C130 VanDerWaalsContact O-N 3.13Å; I128-C130 PolarHBondContact O-SG 3.01Å |
| 129 | D | 73.3 | Confident | 62.4 | Low | 56 Ų | 56 | 66.9 Ų | 66.9 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 101 | 177.7 | -162.1 | -26.7 | 0 | 0 | 0 | 110.3 | R61 G131 | R61-D129 IonicContact NH1-OD2 2.99Å; D129-G131 VanDerWaalsContact C-N 3.26Å; D129-G131 PolarHBondContact O-N 3.39Å; D129-G131 PolarHBondContact OD1-N 3.44Å |
| 130 | C | 61.3 | Low | 59.6 | Low | 8 Ų | 8 | 74.3 Ų | 74.3 | 5% | 0.054 | 40% | 0.398 | C | S | . | . | trans | -90 | 53.6 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 110.2 | L56 C80 L106 I128 G132 | L56-C130 HydrophobicContact CD2-CB 4.12Å; C80-C130 WeakPolarHBondContact CB-O 3.39Å; C80-C130 WeakPolarHBondContact O-CA 3.39Å; C80-C130 WeakPolarHBondContact O-CB 3.39Å; C80-C130 PolarHBondContact O-N 3.39Å; L106-C130 HydrophobicContact CD2-CB 3.83Å; L106-C130 WeakPolarHBondContact CD2-SG 3.41Å; L106-C130 HydrophobicContact CG-CB 4.46Å; I128-C130 PolarHBondContact O-N 2.9Å; I128-C130 VanDerWaalsContact O-N 3.13Å; I128-C130 PolarHBondContact O-SG 3.01Å; C130-G132 PolarHBondContact O-N 2.99Å | ||
| 131 | G | 54.1 | Low | 57 | Low | 38 Ų | 38 | 77.6 Ų | 77.6 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | trans | -34.8 | 124.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D129 V133 | D129-G131 VanDerWaalsContact C-N 3.26Å; D129-G131 PolarHBondContact O-N 3.39Å; D129-G131 PolarHBondContact OD1-N 3.44Å; G131-V133 PolarHBondContact O-N 3.28Å | ||
| 132 | G | 46.3 | Very low | 54.4 | Low | 58 Ų | 58 | 79.2 Ų | 79.2 | 60% | 0.598 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -67.1 | 40.3 | -150.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | C130 | C130-G132 PolarHBondContact O-N 2.99Š|
| 133 | V | 37.1 | Very low | 51.7 | Low | 113 Ų | 113 | 86.6 Ų | 86.6 | 69% | 0.685 | 46% | 0.458 | S | S | * | . | trans | -132.2 | 106.3 | 172.2 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | G131 | G131-V133 PolarHBondContact O-N 3.28Š| ||
| 134 | P | 36.4 | Very low | 48.9 | Very low | 69 Ų | 69 | 91.6 Ų | 91.6 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | trans | -68.7 | 140.2 | 162 | 28 | -29.1 | 0 | 0 | 0 | 108.6 | R136 | P134-R136 PolarHBondContact O-N 3.45Š| ||
| 135 | P | 32.6 | Very low | 46 | Very low | 92 Ų | 92 | 99.4 Ų | 99.4 | 60% | 0.597 | 53% | 0.534 | S | S | * | . | trans | -61.7 | 109 | 165.4 | 24.9 | -28.5 | 0 | 0 | 0 | 107 | W52 L137 | W52-P135 HydrophobicContact CE3-CG 4.38Å; P135-L137 PolarHBondContact O-N 3.41Å; P135-L137 VanDerWaalsContact O-N 3.13Å | ||
| 136 | R | 33.8 | Very low | 43 | Very low | 230 Ų | 230 | 107 Ų | 107 | 87% | 0.868 | 57% | 0.574 | S | S | * | * | trans | -47.2 | 123.1 | 175.1 | -73.1 | -175 | 173 | -177.6 | -1.5 | 108.2 | P134 N138 | P134-R136 PolarHBondContact O-N 3.45Å; R136-N138 PolarHBondContact O-N 3.5Å; R136-N138 VanDerWaalsContact O-N 3.14Å | ||
| 137 | L | 31.6 | Very low | 40.1 | Very low | 172 Ų | 172 | 115.9 Ų | 115.9 | 90% | 0.901 | 62% | 0.616 | S | S | * | * | trans | -47 | 124 | 174.2 | -94 | 110.8 | 0 | 0 | 0 | 109 | P135 R139 | P135-L137 PolarHBondContact O-N 3.41Å; P135-L137 VanDerWaalsContact O-N 3.13Å; L137-R139 PolarHBondContact O-N 2.99Å | ||
| 138 | N | 26.1 | Very low | 37.3 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 85% | 0.85 | 66% | 0.659 | S | S | * | * | trans | -34 | 98.7 | 178.4 | -143.9 | 7.7 | 0 | 0 | 0 | 111.7 | R136 | R136-N138 PolarHBondContact O-N 3.5Å; R136-N138 VanDerWaalsContact O-N 3.14Å | ||
| 139 | R | 28.3 | Very low | 34.7 | Very low | 222 Ų | 222 | 129.4 Ų | 129.4 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | trans | -137.4 | 110.9 | 167.9 | -148.1 | 179 | 146.8 | -177.9 | -6.9 | 107.7 | L137 I141 | L137-R139 PolarHBondContact O-N 2.99Å; R139-I141 PolarHBondContact O-N 3.17Å | ||
| 140 | D | 28.4 | Very low | 32.5 | Very low | 155 Ų | 155 | 130 Ų | 130 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | trans | -51.7 | 102.7 | 179.4 | -61 | -63.2 | 0 | 0 | 0 | 110.6 | ||||
| 141 | I | 25.7 | Very low | 30.9 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -101.9 | 122.2 | 167.1 | -60.5 | 176 | 0 | 0 | 0 | 107.3 | R139 | R139-I141 PolarHBondContact O-N 3.17Š| ||
| 142 | P | 27 | Very low | 29.8 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | trans | -58.9 | 139.3 | -177.3 | -23 | 32.4 | 0 | 0 | 0 | 113.1 | S144 | P142-S144 PolarHBondContact O-N 3.02Š| ||
| 143 | K | 26.5 | Very low | 29.1 | Very low | 205 Ų | 205 | 147.1 Ų | 147.1 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -66.3 | 28.9 | -174.6 | -72.4 | -175 | 171.3 | -178 | 0 | 116.6 | ||
| 144 | S | 28.1 | Very low | 28.6 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -109.4 | 20 | -173.9 | 66.5 | 0 | 0 | 0 | 0 | 115.5 | P142 | P142-S144 PolarHBondContact O-N 3.02Š| ||
| 145 | L | 26 | Very low | 28.3 | Very low | 165 Ų | 165 | 154 Ų | 154 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -123.1 | 15.1 | 178.2 | -98 | 161.1 | 0 | 0 | 0 | 114.1 | ||
| 146 | L | 26.4 | Very low | 28 | Very low | 159 Ų | 159 | 155.7 Ų | 155.7 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -104.6 | 18.9 | -174.8 | -100.3 | 148.6 | 0 | 0 | 0 | 114.7 | ||||
| 147 | E | 27.4 | Very low | 27.6 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -128.1 | 70.1 | 178.7 | -68.8 | -173 | 173.6 | 0 | 0 | 111.9 | ||||
| 148 | Q | 28.2 | Very low | 27.3 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -140.7 | 91.1 | 148 | -73 | -166.3 | -19 | 0 | 0 | 107.7 | ||||
| 149 | G | 24.1 | Very low | 27.2 | Very low | 87 Ų | 87 | 146.8 Ų | 146.8 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -71.4 | 143.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 150 | G | 28 | Very low | 26.9 | Very low | 68 Ų | 68 | 141.7 Ų | 141.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -164.5 | 87.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | D152 | G150-D152 PolarHBondContact O-N 2.75Š| ||
| 151 | D | 26.1 | Very low | 26.7 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -59.2 | 120.8 | 161.7 | -65.6 | -53 | 0 | 0 | 0 | 107.5 | ||||
| 152 | D | 32.3 | Very low | 26.5 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -142.2 | 134.7 | 158.9 | -85.7 | -43.4 | 0 | 0 | 0 | 107.6 | G150 | G150-D152 PolarHBondContact O-N 2.75Š| ||
| 153 | D | 30.3 | Very low | 26.3 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -74 | 158.5 | -149.1 | -67.1 | -73.5 | 0 | 0 | 0 | 116.4 | D155 | D153-D155 PolarHBondContact O-N 3.35Å; D153-D155 VanDerWaalsContact O-N 3.12Å | ||
| 154 | D | 27.3 | Very low | 26.1 | Very low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -50.9 | 100.8 | 163.6 | -71.2 | -56.3 | 0 | 0 | 0 | 112.5 | ||||
| 155 | D | 31.1 | Very low | 25.8 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -100.7 | 94.1 | 156.3 | -88.9 | -33.5 | 0 | 0 | 0 | 109.8 | D153 L157 | D153-D155 PolarHBondContact O-N 3.35Å; D153-D155 VanDerWaalsContact O-N 3.12Å; D155-L157 VanDerWaalsContact C-N 3.34Å; D155-L157 PolarHBondContact O-N 3.29Å | ||
| 156 | N | 26 | Very low | 25.5 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | trans | -53 | 88 | 164.3 | 179.3 | 47.3 | 0 | 0 | 0 | 110.8 | D158 | N156-D158 PolarHBondContact ND2-OD2 3.24Å; N156-D158 VanDerWaalsContact ND2-OD2 3.09Å; N156-D158 PolarHBondContact O-N 3.16Å | ||
| 157 | L | 25.5 | Very low | 25.2 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -86.8 | 83.8 | 168.6 | -161.9 | 71.2 | 0 | 0 | 0 | 109.4 | D155 V159 | D155-L157 VanDerWaalsContact C-N 3.34Å; D155-L157 PolarHBondContact O-N 3.29Å; L157-V159 VanDerWaalsContact C-N 3.25Å; L157-V159 HydrophobicContact CD2-CG2 3.93Å; L157-V159 HydrophobicContact CG-CG2 3.95Å; L157-V159 PolarHBondContact O-N 2.8Å | ||
| 158 | D | 24 | Very low | 25 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 65% | 0.652 | 78% | 0.778 | S | S | * | * | trans | -60.5 | 86 | 162.8 | -89.4 | -46.5 | 0 | 0 | 0 | 109.3 | N156 V160 | N156-D158 PolarHBondContact ND2-OD2 3.24Å; N156-D158 VanDerWaalsContact ND2-OD2 3.09Å; N156-D158 PolarHBondContact O-N 3.16Å; D158-V160 VanDerWaalsContact C-N 3.3Å; D158-V160 PolarHBondContact O-N 3.48Å | ||
| 159 | V | 24.8 | Very low | 24.6 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 62% | 0.624 | 77% | 0.77 | S | S | * | * | trans | -74.7 | 91.3 | 168.5 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | L157 V161 | L157-V159 VanDerWaalsContact C-N 3.25Å; L157-V159 HydrophobicContact CD2-CG2 3.93Å; L157-V159 HydrophobicContact CG-CG2 3.95Å; L157-V159 PolarHBondContact O-N 2.8Å; V159-V161 VanDerWaalsContact C-N 3.26Å; V159-V161 HydrophobicContact CG1-CG2 3.9Å; V159-V161 PolarHBondContact O-N 2.87Å | ||
| 160 | V | 22.8 | Very low | 24.5 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | -62.9 | 88.5 | 166.3 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | D158 T162 | D158-V160 VanDerWaalsContact C-N 3.3Å; D158-V160 PolarHBondContact O-N 3.48Å; V160-T162 VanDerWaalsContact C-N 3.34Å; V160-T162 HydrophobicContact CG1-CG2 4.05Å; V160-T162 PolarHBondContact O-N 3.37Å | ||
| 161 | V | 24.2 | Very low | 24.2 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | trans | -72.7 | 94.5 | 167.7 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | V159 S163 | V159-V161 VanDerWaalsContact C-N 3.26Å; V159-V161 HydrophobicContact CG1-CG2 3.9Å; V159-V161 PolarHBondContact O-N 2.87Å; V161-S163 PolarHBondContact O-N 3.47Å | ||
| 162 | T | 21.7 | Very low | 24 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | -67.2 | 78.6 | 163.6 | 52.3 | 0 | 0 | 0 | 0 | 108.6 | V160 E164 | V160-T162 VanDerWaalsContact C-N 3.34Å; V160-T162 HydrophobicContact CG1-CG2 4.05Å; V160-T162 PolarHBondContact O-N 3.37Å; T162-E164 PolarHBondContact O-N 3.25Å | ||
| 163 | S | 22.8 | Very low | 23.5 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | trans | -80.7 | 97.6 | 168.6 | -169 | 0 | 0 | 0 | 0 | 107.9 | V161 R165 | V161-S163 PolarHBondContact O-N 3.47Å; S163-R165 PolarHBondContact O-N 3.46Å; S163-R165 VanDerWaalsContact O-N 3.16Å | ||
| 164 | E | 21.5 | Very low | 23.1 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -50.6 | 118 | 165.7 | -74.9 | -176.5 | 144.2 | 0 | 0 | 108.8 | T162 L166 | T162-E164 PolarHBondContact O-N 3.25Å; E164-L166 VanDerWaalsContact C-N 3.26Å; E164-L166 PolarHBondContact O-N 3.1Å | ||
| 165 | R | 20.9 | Very low | 22.8 | Very low | 244 Ų | 244 | 134.4 Ų | 134.4 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | trans | -61.6 | 85.4 | 175.3 | -74.8 | 175.7 | 168.8 | 168.2 | -3.4 | 109.8 | S163 A167 | S163-R165 PolarHBondContact O-N 3.46Å; S163-R165 VanDerWaalsContact O-N 3.16Å; R165-A167 VanDerWaalsContact C-N 3.28Å; R165-A167 PolarHBondContact O-N 2.74Å | ||
| 166 | L | 20.9 | Very low | 22.4 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | trans | -71.3 | 92.9 | 158.3 | -93.2 | 151.8 | 0 | 0 | 0 | 107.5 | E164 V168 | E164-L166 VanDerWaalsContact C-N 3.26Å; E164-L166 PolarHBondContact O-N 3.1Å; L166-V168 PolarHBondContact O-N 2.68Å | ||
| 167 | A | 20.6 | Very low | 22.2 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -65.1 | 81.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R165 A169 | R165-A167 VanDerWaalsContact C-N 3.28Å; R165-A167 PolarHBondContact O-N 2.74Å; A167-A169 PolarHBondContact O-N 3.23Å | ||
| 168 | V | 22.2 | Very low | 22 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | -79.1 | 111.6 | 165.6 | 179.7 | 0 | 0 | 0 | 0 | 106.8 | L166 H170 | L166-V168 PolarHBondContact O-N 2.68Å; V168-H170 PolarHBondContact O-N 3.41Å; V168-H170 VanDerWaalsContact O-N 3.13Å | ||
| 169 | A | 20 | Very low | 21.8 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -54.2 | 114.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A167 P171 | A167-A169 PolarHBondContact O-N 3.23Å; A169-P171 WeakPolarHBondContact O-CD 3.2Å | ||
| 170 | H | 22.4 | Very low | 21.6 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -66.3 | 124.9 | 167.3 | -73.9 | -78.1 | 0 | 0 | 0 | 109.6 | V168 S172 | V168-H170 PolarHBondContact O-N 3.41Å; V168-H170 VanDerWaalsContact O-N 3.13Å; H170-S172 VanDerWaalsContact C-N 3.32Å; H170-S172 PolarHBondContact O-N 3.34Å | ||
| 171 | P | 22 | Very low | 21.6 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | -71.6 | 96.1 | 156.2 | 28.9 | -27.6 | 0 | 0 | 0 | 107.1 | A169 T173 | A169-P171 WeakPolarHBondContact O-CD 3.2Å; P171-T173 VanDerWaalsContact C-N 3.3Å; P171-T173 PolarHBondContact O-N 3.24Å | ||
| 172 | S | 21.6 | Very low | 21.3 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -66.3 | 86.7 | 169.7 | 43.2 | 0 | 0 | 0 | 0 | 109.8 | H170 S174 | H170-S172 VanDerWaalsContact C-N 3.32Å; H170-S172 PolarHBondContact O-N 3.34Å; S172-S174 PolarHBondContact O-N 3.45Å; S172-S174 VanDerWaalsContact O-N 3.15Å | ||
| 173 | T | 22.1 | Very low | 21.3 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -82.8 | 79.2 | 156.8 | 46 | 0 | 0 | 0 | 0 | 107.9 | P171 F175 | P171-T173 VanDerWaalsContact C-N 3.3Å; P171-T173 PolarHBondContact O-N 3.24Å; T173-F175 VanDerWaalsContact C-N 3.31Å; T173-F175 PolarHBondContact O-N 3.32Å | ||
| 174 | S | 21.5 | Very low | 21.2 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | -67.8 | 87.7 | 167.6 | 51.2 | 0 | 0 | 0 | 0 | 109.7 | S172 S176 | S172-S174 PolarHBondContact O-N 3.45Å; S172-S174 VanDerWaalsContact O-N 3.15Å; S174-S176 PolarHBondContact O-N 3.47Å | ||
| 175 | F | 21.1 | Very low | 21.2 | Very low | 212 Ų | 212 | 142.2 Ų | 142.2 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -80.6 | 62.1 | 161.7 | -146.7 | -92.7 | 0 | 0 | 0 | 109.5 | T173 | T173-F175 VanDerWaalsContact C-N 3.31Å; T173-F175 PolarHBondContact O-N 3.32Å | ||
| 176 | S | 21 | Very low | 21.1 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -148.1 | 62.2 | 169.6 | -169.4 | 0 | 0 | 0 | 0 | 109.1 | S174 | S174-S176 PolarHBondContact O-N 3.47Š| ||
| 177 | A | 22 | Very low | 21.3 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | -155.4 | 58.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 178 | S | 21.3 | Very low | 21.4 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -137.1 | 42.7 | 158.1 | -73.1 | 0 | 0 | 0 | 0 | 110.4 | ||
| 179 | F | 20.5 | Very low | 21.3 | Very low | 202 Ų | 202 | 137.4 Ų | 137.4 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -162.7 | 45.3 | 156.5 | -133.2 | -92 | 0 | 0 | 0 | 114.2 | ||
| 180 | R | 20.9 | Very low | 21.4 | Very low | 239 Ų | 239 | 137.2 Ų | 137.2 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -150.7 | 75.7 | 158.6 | -75.1 | -162.2 | -172.6 | 179.4 | 4.1 | 110.6 | ||||
| 181 | R | 21.7 | Very low | 21.5 | Very low | 220 Ų | 220 | 137.3 Ų | 137.3 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | trans | -169.3 | 63.2 | 152.3 | -110.9 | 171.1 | -169.6 | 156.5 | 2.1 | 111.5 | ||||
| 182 | A | 19.6 | Very low | 21.4 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | S | Bend | -102.7 | 87.3 | 125.4 | 0 | 0 | 0 | 0 | 0 | 105.3 | |||
| 183 | C | 20 | Very low | 21.6 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 168.4 | 117.2 | 157.8 | -90 | 0 | 0 | 0 | 0 | 110.3 | ||
| 184 | C | 21.8 | Very low | 21.6 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | 78.4 | 103 | 154 | -51 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 185 | I | 21.1 | Very low | 21.7 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | 59.7 | 136.7 | 119.4 | -66.8 | 169.4 | 0 | 0 | 0 | 122.3 | |||||
| 186 | N | 19.5 | Very low | 21.6 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -49.9 | 148.8 | 173.6 | -68.9 | -18.5 | 0 | 0 | 0 | 117.5 | ||||
| 187 | D | 24.6 | Very low | 21.7 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | 165.4 | 109 | 124 | -83.1 | -22.3 | 0 | 0 | 0 | 107.7 | |||||
| 188 | V | 22 | Very low | 21.8 | Very low | 130 Ų | 130 | 149 Ų | 149 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | 83.3 | 123.7 | 79.4 | 172.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 189 | A | 21.2 | Very low | 21.8 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | 72.3 | 149.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 190 | A | 21.8 | Very low | 21.9 | Very low | 87 Ų | 87 | 143 Ų | 143 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | cis | -179.1 | 177.3 | -11 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 191 | M | 25 | Very low | 22 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | 87.9 | 100.5 | 170 | -56.3 | 176.4 | 83 | 0 | 0 | 114.7 | ||||
| 192 | E | 20 | Very low | 22.2 | Very low | 182 Ų | 182 | 130.7 Ų | 130.7 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | 54.5 | 108.5 | 71 | -68.1 | -169.3 | 158.4 | 0 | 0 | 113.4 | |||||
| 193 | D | 25.8 | Very low | 22.4 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | -163.2 | 141.8 | 116.3 | -118.2 | -27.7 | 0 | 0 | 0 | 114.5 | |||||
| 194 | N | 21.2 | Very low | 22.4 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -75.8 | 151.1 | 178.8 | -114.3 | -32.7 | 0 | 0 | 0 | 111.5 | ||||
| 195 | R | 23 | Very low | 22.4 | Very low | 246 Ų | 246 | 139.1 Ų | 139.1 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | -176.7 | 117.5 | 129.6 | -98.1 | 157 | -160.7 | -154 | 6.5 | 113.5 | |||||
| 196 | N | 20.4 | Very low | 22.5 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | trans | -45.2 | 158.4 | 156 | -75.4 | -37.4 | 0 | 0 | 0 | 113.6 | ||||
| 197 | V | 22.7 | Very low | 22.8 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | 168.5 | 139.3 | 108.4 | 158.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 198 | A | 23 | Very low | 22.8 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 81.8 | 105 | 151.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 199 | A | 21.6 | Very low | 22.8 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | trans | -67.3 | 147.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 200 | G | 24 | Very low | 22.9 | Very low | 81 Ų | 81 | 136 Ų | 136 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -131.1 | 111.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 201 | S | 22.5 | Very low | 22.9 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -87.4 | 146.6 | 175.7 | 48.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 202 | G | 24.6 | Very low | 22.9 | Very low | 74 Ų | 74 | 132.1 Ų | 132.1 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | -163.2 | 93 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 203 | D | 23.8 | Very low | 23 | Very low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | trans | 17.2 | 119.4 | 144.7 | -63.4 | -28 | 0 | 0 | 0 | 120.1 | ||||
| 204 | L | 20.7 | Very low | 22.7 | Very low | 148 Ų | 148 | 133 Ų | 133 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | 66.1 | 110.7 | 84.3 | -80.2 | 167.8 | 0 | 0 | 0 | 114.9 | |||||
| 205 | M | 22.8 | Very low | 22.8 | Very low | 189 Ų | 189 | 133 Ų | 133 | 93% | 0.931 | 83% | 0.83 | S | S | * | * | trans | -167.9 | 121.1 | 137.1 | -94.9 | -57.7 | 152.9 | 0 | 0 | 110 | ||||
| 206 | S | 23.6 | Very low | 22.8 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | -141.1 | 142.1 | 161.9 | 53.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 207 | P | 25.4 | Very low | 22.9 | Very low | 114 Ų | 114 | 125 Ų | 125 | 74% | 0.74 | 83% | 0.829 | S | S | * | * | -155.3 | 159.6 | 124.2 | 35.3 | -16 | 0 | 0 | 0 | 117.2 | |||||
| 208 | S | 23.4 | Very low | 22.8 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 82% | 0.824 | S | S | * | * | trans | 61.7 | 110.9 | 142.7 | 60.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 209 | S | 23.1 | Very low | 22.7 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | 66.6 | 101.4 | 70.9 | 84.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 210 | I | 23.4 | Very low | 22.8 | Very low | 174 Ų | 174 | 128.1 Ų | 128.1 | 89% | 0.892 | 82% | 0.82 | S | S | * | * | trans | -126.4 | 116.2 | 159 | -69 | 176.2 | 0 | 0 | 0 | 107.8 | ||||
| 211 | A | 22 | Very low | 22.6 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -91.5 | 130.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 212 | G | 24.5 | Very low | 22.5 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -135.4 | 132.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 213 | R | 21.6 | Very low | 22.3 | Very low | 244 Ų | 244 | 139.9 Ų | 139.9 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -79.3 | 149.3 | -162.3 | -75.1 | 172.8 | 176.2 | -166.4 | -1.6 | 115.7 | ||||
| 214 | C | 19.7 | Very low | 22.3 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 23.8 | 124.6 | 132.3 | -65.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 215 | C | 23.5 | Very low | 22.2 | Very low | 138 Ų | 138 | 139 Ų | 139 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | trans | -146.5 | 113.4 | 136.2 | -81 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 216 | S | 21.7 | Very low | 22.3 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -84.7 | 132.1 | 166.1 | 62 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 217 | A | 22.9 | Very low | 22 | Very low | 108 Ų | 108 | 142 Ų | 142 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -134.6 | 104.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 218 | T | 21.1 | Very low | 21.8 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -82.7 | 125.8 | 175.2 | -17.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 219 | M | 21.2 | Very low | 21.7 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -144.4 | 113.2 | 159.1 | -93.4 | -70 | 148.2 | 0 | 0 | 109.4 | ||||
| 220 | P | 22.6 | Very low | 21.6 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | trans | -102 | 126.1 | 175.9 | 33.8 | -24.7 | 0 | 0 | 0 | 110.5 | ||||
| 221 | R | 21.2 | Very low | 21.6 | Very low | 210 Ų | 210 | 143.3 Ų | 143.3 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -146.9 | 114.8 | 160.9 | -80.9 | -161.9 | 172 | -151.1 | -1.6 | 113.7 | ||||
| 222 | R | 19.6 | Very low | 21.4 | Very low | 210 Ų | 210 | 147.7 Ų | 147.7 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | trans | 67 | 98.8 | 134.7 | -68.1 | -175 | 174 | -176.2 | -3.5 | 119 | ||||
| 223 | S | 20.2 | Very low | 21.3 | Very low | 109 Ų | 109 | 149 Ų | 149 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -17.3 | 127.1 | 131.3 | 57 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 224 | N | 23.3 | Very low | 21.2 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -131.9 | 111 | 144.2 | -105 | -7.4 | 0 | 0 | 0 | 108.4 | ||||
| 225 | S | 20.6 | Very low | 21.2 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -76.1 | 115.5 | 170.9 | 142.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 226 | V | 23.3 | Very low | 21.1 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -120.4 | 124.1 | 160.2 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 227 | R | 18.1 | Very low | 21.1 | Very low | 235 Ų | 235 | 140.5 Ų | 140.5 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -107.3 | 114.3 | -173.8 | -174.1 | -172.6 | -159.2 | -176.1 | 5.7 | 106.3 | ||||
| 228 | T | 21.3 | Very low | 21.1 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -143 | 122 | 169.6 | 43.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 229 | P | 21.2 | Very low | 21.2 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | -106.7 | 127.8 | 179.1 | 35.2 | -24.3 | 0 | 0 | 0 | 111.7 | ||||
| 230 | F | 21.3 | Very low | 21.2 | Very low | 225 Ų | 225 | 142.5 Ų | 142.5 | 99% | 0.987 | 80% | 0.799 | S | S | * | * | trans | 172.2 | 140.4 | 162.1 | -91.9 | -71.3 | 0 | 0 | 0 | 104.7 | ||||
| 231 | G | 21.7 | Very low | 21.2 | Very low | 69 Ų | 69 | 144.9 Ų | 144.9 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | cis | -167.3 | 164.6 | 5.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 232 | Q | 19.7 | Very low | 21.2 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -73 | 132.9 | -173.2 | -64.7 | 160.4 | -29.4 | 0 | 0 | 111.6 | ||||
| 233 | S | 21.1 | Very low | 21.2 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -131.3 | 143.1 | 157.7 | -167.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 234 | V | 20.2 | Very low | 21.4 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -121.1 | 127.9 | -159.3 | 172 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 235 | A | 20.2 | Very low | 21.3 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 163.7 | 155.1 | 138.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 236 | C | 21.1 | Very low | 21.4 | Very low | 103 Ų | 103 | 138 Ų | 138 | 70% | 0.696 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 85.8 | 117.3 | 170.1 | -80.7 | 0 | 0 | 0 | 0 | 120.7 | ||
| 237 | C | 22.3 | Very low | 21.5 | Very low | 109 Ų | 109 | 140 Ų | 140 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | trans | 68.5 | 112.3 | 163 | -70.7 | 0 | 0 | 0 | 0 | 119.5 | Y239 | C237-Y239 PolarHBondContact O-N 3.16Š| ||
| 238 | P | 22.5 | Very low | 21.6 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -82.4 | 108.3 | -173 | 32.3 | -31.6 | 0 | 0 | 0 | 112.3 | ||||
| 239 | Y | 22.4 | Very low | 21.8 | Very low | 209 Ų | 209 | 136.5 Ų | 136.5 | 82% | 0.82 | 82% | 0.816 | S | S | * | * | trans | -69.2 | 143.4 | 147.6 | -92.4 | -94.5 | 0 | 0 | 0 | 110.1 | C237 I241 | C237-Y239 PolarHBondContact O-N 3.16Å; Y239-I241 PolarHBondContact O-N 3.4Å; Y239-I241 VanDerWaalsContact O-N 3.12Å | ||
| 240 | A | 20.6 | Very low | 22 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | trans | -68.6 | 104.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 241 | I | 23.6 | Very low | 22.1 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | trans | -112.7 | 128 | 158.1 | -61.6 | -179.5 | 0 | 0 | 0 | 107.8 | Y239 | Y239-I241 PolarHBondContact O-N 3.4Å; Y239-I241 VanDerWaalsContact O-N 3.12Å | ||
| 242 | G | 20.6 | Very low | 22.3 | Very low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | -68.6 | 129.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 243 | G | 20.1 | Very low | 22.5 | Very low | 74 Ų | 74 | 140.5 Ų | 140.5 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | 51.7 | 98.4 | 142.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 244 | E | 23.7 | Very low | 22.9 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | trans | -132.2 | 132.3 | 138.5 | -70.7 | -156.6 | 149.4 | 0 | 0 | 109.9 | I246 | E244-I246 PolarHBondContact O-N 3.15Š| ||
| 245 | D | 22.5 | Very low | 23.1 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | trans | -73.3 | 107.7 | -179.3 | -70.6 | -48.1 | 0 | 0 | 0 | 110.3 | ||||
| 246 | I | 23 | Very low | 23.6 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | -133.1 | 79.6 | 161.9 | -53.5 | 179.9 | 0 | 0 | 0 | 109 | E244 | E244-I246 PolarHBondContact O-N 3.15Š| ||
| 247 | L | 23.6 | Very low | 23.8 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 88% | 0.88 | 84% | 0.84 | S | S | * | * | trans | -137.9 | 102.5 | 159.8 | -72.9 | 175.9 | 0 | 0 | 0 | 108.6 | ||||
| 248 | S | 21.1 | Very low | 24.2 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | trans | -139 | 74.1 | 160.9 | -92.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 249 | I | 25.1 | Very low | 24.3 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 84% | 0.841 | 84% | 0.84 | S | S | * | * | trans | -110.1 | 117.6 | 158.9 | -61.4 | 177.8 | 0 | 0 | 0 | 105.9 | E251 | I249-E251 PolarHBondContact O-N 3.1Š| ||
| 250 | K | 24.9 | Very low | 25 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 87% | 0.865 | 84% | 0.84 | S | S | * | * | trans | -62 | 126.8 | -174.1 | -80.1 | 168.2 | 170.3 | 171 | 0 | 111.2 | L252 | K250-L252 PolarHBondContact O-N 3.42Š| ||
| 251 | E | 24.5 | Very low | 25.4 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | trans | -57.9 | 120.7 | 161.5 | -68.1 | 172.7 | 147.6 | 0 | 0 | 110 | I249 | I249-E251 PolarHBondContact O-N 3.1Š| ||
| 252 | L | 26.5 | Very low | 25.8 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 90% | 0.895 | 84% | 0.839 | S | S | * | * | trans | -97.1 | 98.8 | 160.7 | -84 | 161 | 0 | 0 | 0 | 107.4 | K250 A254 | K250-L252 PolarHBondContact O-N 3.42Å; L252-A254 PolarHBondContact O-N 2.65Å | ||
| 253 | S | 24 | Very low | 26 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 85% | 0.853 | 85% | 0.847 | S | S | * | * | trans | -72.2 | 106.2 | 166 | 57.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 254 | A | 29.1 | Very low | 26.4 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 85% | 0.851 | 84% | 0.839 | S | S | * | * | trans | -106.8 | 109.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108 | L252 | L252-A254 PolarHBondContact O-N 2.65Š| ||
| 255 | A | 24.7 | Very low | 26.5 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | trans | -83.6 | 132.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 256 | S | 29.6 | Very low | 27 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | trans | -167.3 | 108.6 | 145.8 | 59.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 257 | D | 25.9 | Very low | 27.2 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 88% | 0.882 | 84% | 0.835 | S | S | * | * | trans | -66.9 | 122.4 | 161.4 | -70.3 | -46.9 | 0 | 0 | 0 | 108.8 | ||||
| 258 | C | 29.7 | Very low | 27.7 | Very low | 121 Ų | 121 | 141 Ų | 141 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -135.7 | 103.7 | 161.1 | -76.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 259 | D | 25.7 | Very low | 28.1 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -72.7 | 166.2 | 158.3 | -73.4 | -49.9 | 0 | 0 | 0 | 109.9 | ||||
| 260 | D | 35.5 | Very low | 28.4 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | 104.8 | 97.9 | 165.2 | -58.7 | -28.4 | 0 | 0 | 0 | 118.9 | ||||
| 261 | D | 30.7 | Very low | 28.6 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | trans | 35 | 101.8 | 134.1 | -66.5 | -25.2 | 0 | 0 | 0 | 120.2 | ||||
| 262 | L | 30.8 | Very low | 28.9 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -120.7 | 78.3 | 158.2 | -157.8 | 70 | 0 | 0 | 0 | 111.1 | ||||
| 263 | A | 24.8 | Very low | 29.2 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -82.5 | 104.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 264 | G | 28.2 | Very low | 29.7 | Very low | 59 Ų | 59 | 129.8 Ų | 129.8 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | trans | 143 | 74.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 265 | L | 27.2 | Very low | 30.2 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -137.5 | 133.8 | 144.9 | -79.6 | 178.4 | 0 | 0 | 0 | 110.2 | ||||
| 266 | P | 31.7 | Very low | 30.6 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | trans | -79.7 | 156.5 | -173.7 | -3.7 | 23.8 | 0 | 0 | 0 | 112 | V268 | P266-V268 PolarHBondContact O-N 3.04Š| ||
| 267 | E | 28.4 | Very low | 30.9 | Very low | 201 Ų | 201 | 137.7 Ų | 137.7 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | -45.7 | 115.1 | 175.4 | -57.3 | -173.4 | 162 | 0 | 0 | 112.1 | ||||
| 268 | V | 33.6 | Very low | 30.9 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -112 | 128 | 160.5 | -164.8 | 0 | 0 | 0 | 0 | 107.1 | P266 | P266-V268 PolarHBondContact O-N 3.04Š| ||
| 269 | S | 29.5 | Very low | 31.4 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | -44.2 | 138.3 | -179.1 | 38.8 | 0 | 0 | 0 | 0 | 115.1 | D271 | S269-D271 PolarHBondContact O-N 3.44Å; S269-D271 VanDerWaalsContact O-N 3.14Å | ||
| 270 | V | 30.6 | Very low | 31.6 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | -24.3 | 104 | 150.7 | -137.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 271 | D | 30.3 | Very low | 31.5 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | trans | -105 | 121 | 148.4 | -138.7 | -11.5 | 0 | 0 | 0 | 105.7 | S269 D273 | S269-D271 PolarHBondContact O-N 3.44Å; S269-D271 VanDerWaalsContact O-N 3.14Å; D271-D273 PolarHBondContact O-N 3.1Å | ||
| 272 | S | 29.9 | Very low | 31.8 | Very low | 84 Ų | 84 | 126 Ų | 126 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | trans | -83 | 70.3 | -175.7 | -160.7 | 0 | 0 | 0 | 0 | 106.7 | D274 | S272-D274 VanDerWaalsContact C-N 3.3Å; S272-D274 PolarHBondContact O-N 3.43Å; S272-D274 VanDerWaalsContact O-N 3.14Å | ||
| 273 | D | 32.5 | Very low | 32 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | trans | -76.9 | 98.6 | 161.4 | -76.2 | -24.8 | 0 | 0 | 0 | 105.6 | D271 E275 | D271-D273 PolarHBondContact O-N 3.1Å; D273-E275 PolarHBondContact O-N 3.44Å | ||
| 274 | D | 34.7 | Very low | 32.5 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | -54.7 | 80.5 | 161.4 | -64 | -50.8 | 0 | 0 | 0 | 107.6 | S272 D276 | S272-D274 VanDerWaalsContact C-N 3.3Å; S272-D274 PolarHBondContact O-N 3.43Å; S272-D274 VanDerWaalsContact O-N 3.14Å; D274-D276 PolarHBondContact O-N 3.35Å | ||
| 275 | E | 40.3 | Very low | 33 | Very low | 178 Ų | 178 | 125.4 Ų | 125.4 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | trans | -69 | 91.1 | 158.1 | -74.1 | -168.7 | 150.6 | 0 | 0 | 105.4 | D273 E277 | D273-E275 PolarHBondContact O-N 3.44Å; E275-E277 PolarHBondContact O-N 3.37Å | ||
| 276 | D | 32.9 | Very low | 34 | Very low | 147 Ų | 147 | 121.5 Ų | 121.5 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | trans | -51.8 | 75.5 | 158.8 | -71.1 | -47.5 | 0 | 0 | 0 | 108.7 | D274 S278 | D274-D276 PolarHBondContact O-N 3.35Å; D276-S278 PolarHBondContact O-N 3.15Å | ||
| 277 | E | 36 | Very low | 35 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 72% | 0.715 | 66% | 0.661 | S | S | * | * | trans | -69.5 | 77.8 | 153.3 | -87.6 | -119 | 156.4 | 0 | 0 | 105.9 | E275 Y279 | E275-E277 PolarHBondContact O-N 3.37Å; E277-Y279 VanDerWaalsContact C-N 3.31Å; E277-Y279 PolarHBondContact O-N 3.27Å | ||
| 278 | S | 26.2 | Very low | 36.2 | Very low | 85 Ų | 85 | 114.4 Ų | 114.4 | 59% | 0.594 | 63% | 0.63 | S | S | * | * | trans | -59.6 | 96.4 | 169 | 59.6 | 0 | 0 | 0 | 0 | 107.6 | D276 | D276-S278 PolarHBondContact O-N 3.15Š| ||
| 279 | Y | 39.3 | Very low | 37.7 | Very low | 180 Ų | 180 | 115.6 Ų | 115.6 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | trans | -59.4 | 124.9 | 168.6 | -89 | -100 | 0 | 0 | 0 | 108 | E277 C281 | E277-Y279 VanDerWaalsContact C-N 3.31Å; E277-Y279 PolarHBondContact O-N 3.27Å; Y279-C281 PolarHBondContact O-N 3.44Å | ||
| 280 | P | 29.5 | Very low | 39.8 | Very low | 70 Ų | 70 | 115.6 Ų | 115.6 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | 14.2 | -172.2 | 29.7 | -34.8 | 0 | 0 | 0 | 113.4 | E283 L284 | P280-E283 PolarHBondContact O-N 3.36Å; P280-L284 WeakPolarHBondContact O-CB 3.49Å; P280-L284 WeakPolarHBondContact O-CG 3.4Å; P280-L284 PolarHBondContact O-N 3.37Å |
| 281 | C | 34.9 | Very low | 42.2 | Very low | 88 Ų | 88 | 112.6 Ų | 112.6 | 60% | 0.595 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -75.6 | -27.4 | -176.3 | -151.8 | 0 | 0 | 0 | 0 | 112.1 | Y279 F285 | Y279-C281 PolarHBondContact O-N 3.44Å; C281-F285 WeakPolarHBondContact O-CD2 3.18Å |
| 282 | A | 35.7 | Very low | 44.6 | Very low | 75 Ų | 75 | 106.1 Ų | 106.1 | 62% | 0.62 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -75.2 | -44.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L284 F285 T286 | A282-L284 PolarHBondContact O-N 3.27Å; A282-F285 PolarHBondContact O-N 3.3Å; A282-F285 VanDerWaalsContact O-N 3.16Å; A282-T286 PolarHBondContact O-N 3.29Å; A282-T286 VanDerWaalsContact O-N 3.14Å; A282-T286 PolarHBondContact O-OG1 2.9Å |
| 283 | E | 36.4 | Very low | 47.1 | Very low | 109 Ų | 109 | 107.4 Ų | 107.4 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | -177.4 | -69 | -173.4 | 158 | 0 | 0 | 112.3 | P280 F285 T286 E287 | P280-E283 PolarHBondContact O-N 3.36Å; E283-F285 PolarHBondContact O-N 3.22Å; E283-T286 WeakPolarHBondContact CA-OG1 3.43Å; E283-T286 PolarHBondContact O-N 2.91Å; E283-T286 VanDerWaalsContact O-N 3.15Å; E283-T286 PolarHBondContact O-OG1 2.64Å; E283-E287 WeakPolarHBondContact O-CB 3.47Å; E283-E287 WeakPolarHBondContact O-CG 3.37Å; E283-E287 PolarHBondContact O-N 2.79Å |
| 284 | L | 34.4 | Very low | 49.6 | Very low | 104 Ų | 104 | 106.5 Ų | 106.5 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.8 | -30.7 | 177.8 | -78.9 | 165.3 | 0 | 0 | 0 | 113.5 | P280 A282 L288 | P280-L284 WeakPolarHBondContact O-CB 3.49Å; P280-L284 WeakPolarHBondContact O-CG 3.4Å; P280-L284 PolarHBondContact O-N 3.37Å; A282-L284 PolarHBondContact O-N 3.27Å; L284-L288 WeakPolarHBondContact O-CB 3.49Å; L284-L288 PolarHBondContact O-N 3.19Å |
| 285 | F | 38.2 | Very low | 52.2 | Low | 105 Ų | 105 | 100.5 Ų | 100.5 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -78.8 | -35.8 | 177.7 | -96.2 | -82.2 | 0 | 0 | 0 | 112.5 | C281 A282 E283 R289 | C281-F285 WeakPolarHBondContact O-CD2 3.18Å; A282-F285 PolarHBondContact O-N 3.3Å; A282-F285 VanDerWaalsContact O-N 3.16Å; E283-F285 PolarHBondContact O-N 3.22Å; F285-R289 PolarHBondContact O-N 3.15Å |
| 286 | T | 49.1 | Very low | 54.4 | Low | 78 Ų | 78 | 92.2 Ų | 92.2 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 168.8 | 15.5 | 0 | 0 | 0 | 0 | 110.9 | A282 E283 L288 R289 D290 | A282-T286 PolarHBondContact O-N 3.29Å; A282-T286 VanDerWaalsContact O-N 3.14Å; A282-T286 PolarHBondContact O-OG1 2.9Å; E283-T286 WeakPolarHBondContact CA-OG1 3.43Å; E283-T286 PolarHBondContact O-N 2.91Å; E283-T286 VanDerWaalsContact O-N 3.15Å; E283-T286 PolarHBondContact O-OG1 2.64Å; T286-L288 VanDerWaalsContact C-N 3.31Å; T286-L288 PolarHBondContact O-N 3.46Å; T286-R289 PolarHBondContact O-N 2.78Å; T286-R289 VanDerWaalsContact O-N 3.1Å; T286-D290 VanDerWaalsContact O-CG 3.3Å; T286-D290 PolarHBondContact O-N 2.86Å |
| 287 | E | 51.7 | Low | 57 | Low | 108 Ų | 108 | 91 Ų | 91 | 51% | 0.505 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56.5 | -44.4 | 175.6 | -74.6 | -177.4 | 168.7 | 0 | 0 | 111.5 | E283 R289 D290 L291 | E283-E287 WeakPolarHBondContact O-CB 3.47Å; E283-E287 WeakPolarHBondContact O-CG 3.37Å; E283-E287 PolarHBondContact O-N 2.79Å; E287-R289 PolarHBondContact O-N 3.37Å; E287-D290 PolarHBondContact O-N 2.82Å; E287-L291 WeakPolarHBondContact O-CB 3.5Å; E287-L291 WeakPolarHBondContact O-CD1 3.39Å; E287-L291 WeakPolarHBondContact O-CG 3.49Å; E287-L291 PolarHBondContact O-N 2.89Å |
| 288 | L | 54.5 | Low | 59.4 | Low | 53 Ų | 53 | 86.6 Ų | 86.6 | 28% | 0.277 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 177.2 | -174.6 | 65.8 | 0 | 0 | 0 | 112.4 | L284 T286 V292 | L284-L288 WeakPolarHBondContact O-CB 3.49Å; L284-L288 PolarHBondContact O-N 3.19Å; T286-L288 VanDerWaalsContact C-N 3.31Å; T286-L288 PolarHBondContact O-N 3.46Å; L288-V292 WeakPolarHBondContact O-CB 3.37Å; L288-V292 WeakPolarHBondContact O-CG2 3.44Å; L288-V292 PolarHBondContact O-N 3.28Å |
| 289 | R | 64.6 | Low | 62.2 | Low | 160 Ų | 160 | 88.4 Ų | 88.4 | 60% | 0.604 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.8 | -38.6 | 176.8 | -77.6 | -171.1 | 175.8 | -152.7 | -1.8 | 112 | F285 T286 E287 V292 R293 | F285-R289 PolarHBondContact O-N 3.15Å; T286-R289 PolarHBondContact O-N 2.78Å; T286-R289 VanDerWaalsContact O-N 3.1Å; E287-R289 PolarHBondContact O-N 3.37Å; R289-V292 PolarHBondContact O-N 2.83Å; R289-R293 WeakPolarHBondContact O-CB 3.48Å; R289-R293 PolarHBondContact O-N 2.8Å |
| 290 | D | 74.3 | Confident | 64.5 | Low | 101 Ų | 101 | 82.2 Ų | 82.2 | 54% | 0.54 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.6 | -41.7 | 179.1 | -67.1 | -22.9 | 0 | 0 | 0 | 111.2 | T286 E287 R293 E294 | T286-D290 VanDerWaalsContact O-CG 3.3Å; T286-D290 PolarHBondContact O-N 2.86Å; E287-D290 PolarHBondContact O-N 2.82Å; D290-R293 WeakPolarHBondContact O-CB 3.32Å; D290-R293 PolarHBondContact O-N 3.34Å; D290-E294 PolarHBondContact O-N 2.84Å |
| 291 | L | 80.6 | Confident | 67.1 | Low | 79 Ų | 79 | 83.5 Ų | 83.5 | 41% | 0.414 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 172.7 | -83.6 | 155.2 | 0 | 0 | 0 | 112 | E287 R293 E294 C295 V310 | E287-L291 WeakPolarHBondContact O-CB 3.5Å; E287-L291 WeakPolarHBondContact O-CD1 3.39Å; E287-L291 WeakPolarHBondContact O-CG 3.49Å; E287-L291 PolarHBondContact O-N 2.89Å; L291-R293 VanDerWaalsContact C-N 3.29Å; L291-R293 PolarHBondContact O-N 3.19Å; L291-E294 PolarHBondContact O-N 2.89Å; L291-C295 PolarHBondContact O-N 2.95Å; L291-C295 PolarHBondContact O-SG 3.09Å; L291-V310 HydrophobicContact CB-CG1 4.1Å |
| 292 | V | 81.2 | Confident | 69.7 | Low | 7 Ų | 7 | 85.8 Ų | 85.8 | 4% | 0.042 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.2 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | L288 R289 C295 L296 V310 L311 F314 | L288-V292 WeakPolarHBondContact O-CB 3.37Å; L288-V292 WeakPolarHBondContact O-CG2 3.44Å; L288-V292 PolarHBondContact O-N 3.28Å; R289-V292 PolarHBondContact O-N 2.83Å; V292-C295 PolarHBondContact O-N 3.06Å; V292-L296 HydrophobicContact CG1-CD1 4.02Å; V292-L296 HydrophobicContact CG1-CG 4.43Å; V292-L296 WeakPolarHBondContact O-CB 3.28Å; V292-L296 WeakPolarHBondContact O-CG 3.45Å; V292-L296 PolarHBondContact O-N 2.83Å; V292-V310 HydrophobicContact CG2-CG1 4.03Å; V292-L311 HydrophobicContact CG1-CD2 4.14Å; V292-F314 HydrophobicContact CB-CD1 4.43Å; V292-F314 HydrophobicContact CB-CG 4.43Å; V292-F314 HydrophobicContact CG1-CB 4.39Å; V292-F314 HydrophobicContact CG1-CD1 3.57Å; V292-F314 HydrophobicContact CG1-CE1 4.01Å; V292-F314 HydrophobicContact CG1-CG 4.03Å; V292-F314 HydrophobicContact CG2-CB 3.48Å; V292-F314 VanDerWaalsContact CG2-CB 3.48Å; V292-F314 HydrophobicContact CG2-CD1 4.09Å; V292-F314 HydrophobicContact CG2-CD2 4.13Å; V292-F314 HydrophobicContact CG2-CG 3.65Å |
| 293 | R | 82.5 | Confident | 72.3 | Confident | 111 Ų | 111 | 83.5 Ų | 83.5 | 42% | 0.419 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 178 | -174 | 175.7 | -176.1 | 145.4 | 5.9 | 111.7 | R289 D290 L291 C295 L296 E297 | R289-R293 WeakPolarHBondContact O-CB 3.48Å; R289-R293 PolarHBondContact O-N 2.8Å; D290-R293 WeakPolarHBondContact O-CB 3.32Å; D290-R293 PolarHBondContact O-N 3.34Å; L291-R293 VanDerWaalsContact C-N 3.29Å; L291-R293 PolarHBondContact O-N 3.19Å; R293-C295 VanDerWaalsContact C-N 3.28Å; R293-C295 PolarHBondContact O-N 3.24Å; R293-L296 PolarHBondContact O-N 2.81Å; R293-L296 VanDerWaalsContact O-N 3.15Å; R293-E297 HydrophobicContact CG-CG 4.38Å; R293-E297 WeakPolarHBondContact CG-OE1 3.42Å; R293-E297 IonicContact CZ-OE1 3.7Å; R293-E297 IonicContact NE-OE1 3.71Å; R293-E297 PolarHBondContact NE-OE1 2.84Å; R293-E297 IonicContact NH2-OE1 2.89Å; R293-E297 WeakPolarHBondContact O-CG 3.34Å; R293-E297 PolarHBondContact O-N 2.65Å |
| 294 | E | 85.4 | Confident | 74.8 | Confident | 115 Ų | 115 | 80.8 Ų | 80.8 | 54% | 0.537 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 176.6 | -171.8 | -176.5 | 168.5 | 0 | 0 | 111.7 | D290 L291 | D290-E294 PolarHBondContact O-N 2.84Å; L291-E294 PolarHBondContact O-N 2.89Å |
| 295 | C | 89 | Confident | 77.2 | Confident | 4 Ų | 4 | 82.8 Ų | 82.8 | 3% | 0.027 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.8 | -38.9 | 176.2 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | L291 V292 R293 R303 D307 L311 | L291-C295 PolarHBondContact O-N 2.95Å; L291-C295 PolarHBondContact O-SG 3.09Å; V292-C295 PolarHBondContact O-N 3.06Å; R293-C295 VanDerWaalsContact C-N 3.28Å; R293-C295 PolarHBondContact O-N 3.24Å; C295-R303 PolarHBondContact O-NE 2.94Å; C295-D307 HydrophobicContact CB-CB 4.13Å; C295-D307 PolarHBondContact SG-OD1 3.01Å; C295-D307 VanDerWaalsContact SG-OD1 3.39Å; C295-L311 HydrophobicContact CB-CD1 4.29Å; C295-L311 HydrophobicContact CB-CD2 3.69Å; C295-L311 HydrophobicContact CB-CG 3.83Å |
| 296 | L | 85.9 | Confident | 79.5 | Confident | 5 Ų | 5 | 82.9 Ų | 82.9 | 3% | 0.026 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -71.9 | -33.4 | -179.7 | -83 | -179.1 | 0 | 0 | 0 | 113.2 | V292 R293 K298 R303 L311 M336 F338 I362 V409 | V292-L296 HydrophobicContact CG1-CD1 4.02Å; V292-L296 HydrophobicContact CG1-CG 4.43Å; V292-L296 WeakPolarHBondContact O-CB 3.28Å; V292-L296 WeakPolarHBondContact O-CG 3.45Å; V292-L296 PolarHBondContact O-N 2.83Å; R293-L296 PolarHBondContact O-N 2.81Å; R293-L296 VanDerWaalsContact O-N 3.15Å; L296-K298 VanDerWaalsContact C-N 3.25Å; L296-K298 PolarHBondContact O-N 3.47Å; L296-R303 PolarHBondContact O-NH2 3.36Å; L296-R303 VanDerWaalsContact O-NH2 3.12Å; L296-L311 HydrophobicContact CD1-CD2 4.49Å; L296-L311 HydrophobicContact CD2-CD1 4.23Å; L296-L311 HydrophobicContact CD2-CD2 3.73Å; L296-L311 HydrophobicContact CG-CD2 3.58Å; L296-M336 HydrophobicContact CD2-CG 4.32Å; L296-M336 HydrophobicContact CD2-SD 3.92Å; L296-F338 HydrophobicContact CB-CB 3.91Å; L296-F338 HydrophobicContact CB-CD2 4.26Å; L296-F338 HydrophobicContact CB-CG 4.05Å; L296-F338 HydrophobicContact CD1-CD2 3.9Å; L296-F338 HydrophobicContact CD1-CE2 4.36Å; L296-F338 WeakPolarHBondContact O-CB 3.47Å; L296-I362 HydrophobicContact CD1-CD1 3.64Å; L296-V409 HydrophobicContact CD1-CG2 4.07Å; L296-V409 HydrophobicContact CD2-CG2 4.14Å |
| 297 | E | 87.1 | Confident | 81.5 | Confident | 120 Ų | 120 | 79.9 Ų | 79.9 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -70.3 | -19 | 177.3 | -74.6 | 178.2 | -176.4 | 0 | 0 | 112.9 | R293 F338 | R293-E297 HydrophobicContact CG-CG 4.38Å; R293-E297 WeakPolarHBondContact CG-OE1 3.42Å; R293-E297 IonicContact CZ-OE1 3.7Å; R293-E297 IonicContact NE-OE1 3.71Å; R293-E297 PolarHBondContact NE-OE1 2.84Å; R293-E297 IonicContact NH2-OE1 2.89Å; R293-E297 WeakPolarHBondContact O-CG 3.34Å; R293-E297 PolarHBondContact O-N 2.65Å; E297-F338 HydrophobicContact CG-CD1 4.24Å; E297-F338 HydrophobicContact CG-CE1 4.38Å |
| 298 | K | 88.1 | Confident | 83.2 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 27% | 0.27 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -72.1 | 142.4 | 169.9 | -64.6 | 172.6 | -172.7 | 174.3 | 0 | 111.2 | L296 R303 D307 | L296-K298 VanDerWaalsContact C-N 3.25Å; L296-K298 PolarHBondContact O-N 3.47Å; K298-R303 HydrophobicContact CB-CG 4.02Å; K298-R303 PolarHBondContact O-NE 3.26Å; K298-R303 PolarHBondContact O-NH2 2.76Å; K298-D307 VanDerWaalsContact NZ-CG 3.28Å; K298-D307 IonicContact NZ-OD1 3.84Å; K298-D307 PolarHBondContact NZ-OD1 3.06Å; K298-D307 IonicContact NZ-OD2 2.94Å; K298-D307 PolarHBondContact NZ-OD2 3.25Å; K298-D307 VanDerWaalsContact NZ-OD2 3.16Å |
| 299 | E | 84.4 | Confident | 84.7 | Confident | 123 Ų | 123 | 75.1 Ų | 75.1 | 58% | 0.575 | 38% | 0.378 | S | S | * | . | trans | -62.2 | 147.7 | 171.5 | -70 | -165.3 | 167.4 | 0 | 0 | 111 | S301 E302 R303 | E299-S301 PolarHBondContact O-N 3.39Å; E299-E302 HydrophobicContact CB-CG 4.22Å; E299-E302 PolarHBondContact O-N 3.48Å; E299-R303 PolarHBondContact O-N 3.38Å | ||
| 300 | P | 87.1 | Confident | 85.7 | Confident | 50 Ų | 50 | 69.3 Ų | 69.3 | 33% | 0.325 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -33.2 | 177.8 | -30.9 | 37.2 | 0 | 0 | 0 | 114.9 | E302 R334 V337 | P300-E302 VanDerWaalsContact C-N 3.34Å; P300-R334 WeakPolarHBondContact CB-O 3.09Å; P300-V337 HydrophobicContact CG-CG2 3.79Å |
| 301 | S | 84.5 | Confident | 86.4 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -22.9 | 176.8 | 43.2 | 0 | 0 | 0 | 0 | 114 | E299 | E299-S301 PolarHBondContact O-N 3.39Š|
| 302 | E | 89 | Confident | 86.6 | Confident | 136 Ų | 136 | 62.1 Ų | 62.1 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -7.6 | -175.1 | -61.9 | -173.1 | 159.1 | 0 | 0 | 113.1 | E299 P300 | E299-E302 HydrophobicContact CB-CG 4.22Å; E299-E302 PolarHBondContact O-N 3.48Å; P300-E302 VanDerWaalsContact C-N 3.34Å |
| 303 | R | 89.4 | Confident | 86.6 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | trans | -72.2 | 128.2 | 179.5 | -70.6 | -178.3 | -173.6 | 157.4 | 13.6 | 112 | C295 L296 K298 E299 D307 C333 M336 | C295-R303 PolarHBondContact O-NE 2.94Å; L296-R303 PolarHBondContact O-NH2 3.36Å; L296-R303 VanDerWaalsContact O-NH2 3.12Å; K298-R303 HydrophobicContact CB-CG 4.02Å; K298-R303 PolarHBondContact O-NE 3.26Å; K298-R303 PolarHBondContact O-NH2 2.76Å; E299-R303 PolarHBondContact O-N 3.38Å; R303-D307 HydrophobicContact CB-CB 4.26Å; R303-D307 HydrophobicContact CG-CB 4.46Å; R303-C333 PolarHBondContact NH1-O 2.97Å; R303-M336 VanDerWaalsContact NH1-CG 3.32Å; R303-M336 PolarHBondContact NH1-O 3.19Å; R303-M336 PolarHBondContact NH2-O 3.48Å | ||
| 304 | S | 89.6 | Confident | 86.6 | Confident | 52 Ų | 52 | 61 Ų | 61 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | trans | -79 | 167.7 | 170.7 | 68 | 0 | 0 | 0 | 0 | 111.8 | D306 D307 V308 | S304-D306 PolarHBondContact O-N 2.82Å; S304-D307 WeakPolarHBondContact CB-OD2 3.44Å; S304-D307 PolarHBondContact N-OD2 3.09Å; S304-D307 PolarHBondContact O-N 3.37Å; S304-D307 PolarHBondContact OG-N 3.13Å; S304-D307 PolarHBondContact OG-OD2 3.1Å; S304-V308 WeakPolarHBondContact O-CG2 3.49Å; S304-V308 PolarHBondContact O-N 2.89Å; S304-V308 VanDerWaalsContact O-N 3.15Å | ||
| 305 | E | 84.4 | Confident | 86.5 | Confident | 147 Ų | 147 | 55.6 Ų | 55.6 | 69% | 0.687 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.1 | -30.5 | 173.5 | -72 | -162 | 143.5 | 0 | 0 | 112.7 | V308 A309 R334 | E305-V308 PolarHBondContact O-N 2.95Å; E305-A309 PolarHBondContact O-N 3.5Å; E305-R334 IonicContact OE1-NH2 2.76Å |
| 306 | D | 87.5 | Confident | 85.9 | Confident | 106 Ų | 106 | 58.6 Ų | 58.6 | 57% | 0.567 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.3 | -41.7 | 175.4 | -66.9 | -20.5 | 0 | 0 | 0 | 110.9 | S304 V308 A309 V310 | S304-D306 PolarHBondContact O-N 2.82Å; D306-V308 VanDerWaalsContact C-N 3.32Å; D306-V308 PolarHBondContact O-N 3.45Å; D306-A309 WeakPolarHBondContact O-CB 3.24Å; D306-A309 PolarHBondContact O-N 3.25Å; D306-A309 VanDerWaalsContact O-N 3.16Å; D306-V310 WeakPolarHBondContact O-CG2 3.4Å; D306-V310 PolarHBondContact O-N 3.06Å |
| 307 | D | 90.4 | Very high | 85.4 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 8% | 0.08 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 175.1 | -59.8 | -53 | 0 | 0 | 0 | 110.7 | C295 K298 R303 S304 A309 V310 L311 | C295-D307 HydrophobicContact CB-CB 4.13Å; C295-D307 PolarHBondContact SG-OD1 3.01Å; C295-D307 VanDerWaalsContact SG-OD1 3.39Å; K298-D307 VanDerWaalsContact NZ-CG 3.28Å; K298-D307 IonicContact NZ-OD1 3.84Å; K298-D307 PolarHBondContact NZ-OD1 3.06Å; K298-D307 IonicContact NZ-OD2 2.94Å; K298-D307 PolarHBondContact NZ-OD2 3.25Å; K298-D307 VanDerWaalsContact NZ-OD2 3.16Å; R303-D307 HydrophobicContact CB-CB 4.26Å; R303-D307 HydrophobicContact CG-CB 4.46Å; S304-D307 WeakPolarHBondContact CB-OD2 3.44Å; S304-D307 PolarHBondContact N-OD2 3.09Å; S304-D307 PolarHBondContact O-N 3.37Å; S304-D307 PolarHBondContact OG-N 3.13Å; S304-D307 PolarHBondContact OG-OD2 3.1Å; D307-A309 VanDerWaalsContact C-N 3.29Å; D307-A309 PolarHBondContact O-N 3.02Å; D307-V310 PolarHBondContact O-N 3.41Å; D307-L311 VanDerWaalsContact O-CG 3.3Å; D307-L311 WeakPolarHBondContact O-CG 3.16Å; D307-L311 PolarHBondContact O-N 3.25Å |
| 308 | V | 87.7 | Confident | 84.9 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | S304 E305 D306 L311 L312 C333 R334 | S304-V308 WeakPolarHBondContact O-CG2 3.49Å; S304-V308 PolarHBondContact O-N 2.89Å; S304-V308 VanDerWaalsContact O-N 3.15Å; E305-V308 PolarHBondContact O-N 2.95Å; D306-V308 VanDerWaalsContact C-N 3.32Å; D306-V308 PolarHBondContact O-N 3.45Å; V308-L311 PolarHBondContact O-N 3.31Å; V308-L312 WeakPolarHBondContact O-CB 3.43Å; V308-L312 PolarHBondContact O-N 3.28Å; V308-C333 HydrophobicContact CG1-CB 4.09Å; V308-R334 HydrophobicContact CB-CG 4.45Å; V308-R334 HydrophobicContact CG1-CG 4.01Å; V308-R334 HydrophobicContact CG2-CG 3.53Å |
| 309 | A | 85.1 | Confident | 84 | Confident | 53 Ų | 53 | 61 Ų | 61 | 44% | 0.438 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | E305 D306 D307 L312 D313 | E305-A309 PolarHBondContact O-N 3.5Å; D306-A309 WeakPolarHBondContact O-CB 3.24Å; D306-A309 PolarHBondContact O-N 3.25Å; D306-A309 VanDerWaalsContact O-N 3.16Å; D307-A309 VanDerWaalsContact C-N 3.29Å; D307-A309 PolarHBondContact O-N 3.02Å; A309-L312 PolarHBondContact O-N 3.47Å; A309-D313 WeakPolarHBondContact O-CB 3.31Å; A309-D313 PolarHBondContact O-N 3.43Å |
| 310 | V | 86.7 | Confident | 83.7 | Confident | 39 Ų | 39 | 55.9 Ų | 55.9 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 111 | L291 V292 D306 D307 L312 D313 F314 | L291-V310 HydrophobicContact CB-CG1 4.1Å; V292-V310 HydrophobicContact CG2-CG1 4.03Å; D306-V310 WeakPolarHBondContact O-CG2 3.4Å; D306-V310 PolarHBondContact O-N 3.06Å; D307-V310 PolarHBondContact O-N 3.41Å; V310-L312 VanDerWaalsContact C-N 3.35Å; V310-L312 PolarHBondContact O-N 2.92Å; V310-D313 PolarHBondContact O-N 3.27Å; V310-F314 PolarHBondContact O-N 2.9Å |
| 311 | L | 88.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 176.8 | -67.6 | -179.3 | 0 | 0 | 0 | 111.8 | V292 C295 L296 D307 V308 D313 F314 M315 C333 M336 | V292-L311 HydrophobicContact CG1-CD2 4.14Å; C295-L311 HydrophobicContact CB-CD1 4.29Å; C295-L311 HydrophobicContact CB-CD2 3.69Å; C295-L311 HydrophobicContact CB-CG 3.83Å; L296-L311 HydrophobicContact CD1-CD2 4.49Å; L296-L311 HydrophobicContact CD2-CD1 4.23Å; L296-L311 HydrophobicContact CD2-CD2 3.73Å; L296-L311 HydrophobicContact CG-CD2 3.58Å; D307-L311 VanDerWaalsContact O-CG 3.3Å; D307-L311 WeakPolarHBondContact O-CG 3.16Å; D307-L311 PolarHBondContact O-N 3.25Å; V308-L311 PolarHBondContact O-N 3.31Å; L311-D313 VanDerWaalsContact C-N 3.33Å; L311-D313 PolarHBondContact O-N 2.99Å; L311-F314 PolarHBondContact O-N 2.9Å; L311-M315 WeakPolarHBondContact O-CB 3.19Å; L311-M315 VanDerWaalsContact O-CG 3.22Å; L311-M315 WeakPolarHBondContact O-CG 3.29Å; L311-M315 PolarHBondContact O-N 2.89Å; L311-C333 HydrophobicContact CB-CB 4.08Å; L311-M336 HydrophobicContact CD1-SD 4.45Å |
| 312 | L | 84.9 | Confident | 82.4 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 178.3 | -179.8 | 68 | 0 | 0 | 0 | 111.2 | V308 A309 V310 F314 M315 Q316 K329 | V308-L312 WeakPolarHBondContact O-CB 3.43Å; V308-L312 PolarHBondContact O-N 3.28Å; A309-L312 PolarHBondContact O-N 3.47Å; V310-L312 VanDerWaalsContact C-N 3.35Å; V310-L312 PolarHBondContact O-N 2.92Å; L312-F314 VanDerWaalsContact C-N 3.27Å; L312-F314 PolarHBondContact O-N 3.34Å; L312-M315 PolarHBondContact O-N 2.99Å; L312-Q316 WeakPolarHBondContact O-CB 3.45Å; L312-Q316 WeakPolarHBondContact O-CG 3.4Å; L312-Q316 PolarHBondContact O-N 3.17Å; L312-K329 HydrophobicContact CD1-CB 3.37Å; L312-K329 HydrophobicContact CD1-CD 4.28Å; L312-K329 HydrophobicContact CD1-CG 4.44Å |
| 313 | D | 81.4 | Confident | 81 | Confident | 44 Ų | 44 | 52.4 Ų | 52.4 | 24% | 0.235 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 179.7 | -166.1 | 53.4 | 0 | 0 | 0 | 111.6 | A309 V310 L311 Q316 H317 | A309-D313 WeakPolarHBondContact O-CB 3.31Å; A309-D313 PolarHBondContact O-N 3.43Å; V310-D313 PolarHBondContact O-N 3.27Å; L311-D313 VanDerWaalsContact C-N 3.33Å; L311-D313 PolarHBondContact O-N 2.99Å; D313-Q316 WeakPolarHBondContact O-CG 3.28Å; D313-Q316 PolarHBondContact O-NE2 3.4Å; D313-Q316 PolarHBondContact OD1-NE2 3.35Å; D313-H317 PolarHBondContact O-CD2 2.77Å; D313-H317 PolarHBondContact O-NE2 2.75Å |
| 314 | F | 83.1 | Confident | 80.3 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -77.3 | -48.1 | 176.5 | -176.1 | -108 | 0 | 0 | 0 | 113.2 | V292 V310 L311 L312 | V292-F314 HydrophobicContact CB-CD1 4.43Å; V292-F314 HydrophobicContact CB-CG 4.43Å; V292-F314 HydrophobicContact CG1-CB 4.39Å; V292-F314 HydrophobicContact CG1-CD1 3.57Å; V292-F314 HydrophobicContact CG1-CE1 4.01Å; V292-F314 HydrophobicContact CG1-CG 4.03Å; V292-F314 HydrophobicContact CG2-CB 3.48Å; V292-F314 VanDerWaalsContact CG2-CB 3.48Å; V292-F314 HydrophobicContact CG2-CD1 4.09Å; V292-F314 HydrophobicContact CG2-CD2 4.13Å; V292-F314 HydrophobicContact CG2-CG 3.65Å; V310-F314 PolarHBondContact O-N 2.9Å; L311-F314 PolarHBondContact O-N 2.9Å; L312-F314 VanDerWaalsContact C-N 3.27Å; L312-F314 PolarHBondContact O-N 3.34Å |
| 315 | M | 81.8 | Confident | 79.4 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.3 | -31.2 | -173.8 | -70.2 | -74.7 | 95.9 | 0 | 0 | 113.6 | L311 L312 H317 M318 F321 M336 I362 | L311-M315 WeakPolarHBondContact O-CB 3.19Å; L311-M315 VanDerWaalsContact O-CG 3.22Å; L311-M315 WeakPolarHBondContact O-CG 3.29Å; L311-M315 PolarHBondContact O-N 2.89Å; L312-M315 PolarHBondContact O-N 2.99Å; M315-H317 PolarHBondContact O-N 2.96Å; M315-M318 HydrophobicContact CE-CE 4.21Å; M315-M318 HydrophobicContact CE-CG 4.05Å; M315-M318 WeakPolarHBondContact O-CB 3.27Å; M315-M318 PolarHBondContact O-N 3.49Å; M315-F321 HydrophobicContact CB-CD1 4.43Å; M315-F321 HydrophobicContact CB-CD2 4.36Å; M315-F321 HydrophobicContact CB-CE1 4.38Å; M315-F321 HydrophobicContact CB-CE2 4.31Å; M315-F321 HydrophobicContact CB-CG 4.44Å; M315-F321 HydrophobicContact CB-CZ 4.34Å; M315-F321 WeakPolarHBondContact O-CB 3.46Å; M315-F321 HydrophobicContact SD-CE2 3.92Å; M315-F321 HydrophobicContact SD-CZ 4.22Å; M315-M336 HydrophobicContact CG-CE 4.21Å; M315-M336 HydrophobicContact CG-SD 4.42Å; M315-M336 HydrophobicContact SD-CE 4.35Å; M315-I362 HydrophobicContact CE-CG2 3.58Å; M315-I362 HydrophobicContact SD-CG2 4.25Å |
| 316 | Q | 77.8 | Confident | 78.7 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.6 | -176.6 | 68.4 | -178 | -26.2 | 0 | 0 | 114.3 | L312 D313 K329 | L312-Q316 WeakPolarHBondContact O-CB 3.45Å; L312-Q316 WeakPolarHBondContact O-CG 3.4Å; L312-Q316 PolarHBondContact O-N 3.17Å; D313-Q316 WeakPolarHBondContact O-CG 3.28Å; D313-Q316 PolarHBondContact O-NE2 3.4Å; D313-Q316 PolarHBondContact OD1-NE2 3.35Å; Q316-K329 HydrophobicContact CB-CD 4.24Å |
| 317 | H | 74.2 | Confident | 78.1 | Confident | 144 Ų | 144 | 45.6 Ų | 45.6 | 67% | 0.667 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9 | 178.7 | -62.9 | -55.9 | 0 | 0 | 0 | 113.4 | D313 M315 | D313-H317 PolarHBondContact O-CD2 2.77Å; D313-H317 PolarHBondContact O-NE2 2.75Å; M315-H317 PolarHBondContact O-N 2.96Å |
| 318 | M | 77.4 | Confident | 77.7 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -80.4 | 142.3 | 179.6 | -62.4 | -71.4 | -114.4 | 0 | 0 | 111.1 | M315 A320 F321 A322 I361 I362 L380 | M315-M318 HydrophobicContact CE-CE 4.21Å; M315-M318 HydrophobicContact CE-CG 4.05Å; M315-M318 WeakPolarHBondContact O-CB 3.27Å; M315-M318 PolarHBondContact O-N 3.49Å; M318-A320 VanDerWaalsContact C-N 3.28Å; M318-A320 PolarHBondContact O-N 3.23Å; M318-F321 HydrophobicContact CB-CD2 4.23Å; M318-F321 PolarHBondContact O-N 3.06Å; M318-A322 PolarHBondContact O-N 3.49Å; M318-A322 VanDerWaalsContact O-N 3.13Å; M318-I361 WeakPolarHBondContact CE-O 3.49Å; M318-I362 HydrophobicContact CE-CB 4.36Å; M318-I362 HydrophobicContact CE-CG2 4.03Å; M318-L380 HydrophobicContact CE-CD1 3.73Å; M318-L380 HydrophobicContact CE-CG 4.16Å |
| 319 | P | 69.6 | Low | 77.7 | Confident | 72 Ų | 72 | 45.8 Ų | 45.8 | 47% | 0.468 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -51.4 | -42.9 | 176.9 | -26.7 | 33.3 | 0 | 0 | 0 | 113.9 | F321 A322 | P319-F321 PolarHBondContact O-N 2.88Å; P319-F321 VanDerWaalsContact O-N 3.1Å; P319-A322 WeakPolarHBondContact O-CB 3.18Å; P319-A322 PolarHBondContact O-N 2.82Å; P319-A322 VanDerWaalsContact O-N 3.14Å |
| 320 | A | 77.7 | Confident | 77.7 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 13% | 0.132 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.5 | -28.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | M318 W358 V360 G381 C383 | M318-A320 VanDerWaalsContact C-N 3.28Å; M318-A320 PolarHBondContact O-N 3.23Å; A320-W358 HydrophobicContact CB-CH2 4.28Å; A320-W358 HydrophobicContact CB-CZ2 4.06Å; A320-V360 HydrophobicContact CB-CG1 3.8Å; A320-V360 HydrophobicContact CB-CG2 3.88Å; A320-G381 WeakPolarHBondContact CB-O 3.4Å; A320-G381 PolarHBondContact N-O 2.99Å; A320-C383 HydrophobicContact CB-CB 3.7Å |
| 321 | F | 78.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -102.4 | -16.3 | -178.3 | -71.1 | -101.4 | 0 | 0 | 0 | 112.8 | M315 M318 P319 N323 L324 K329 L332 M336 W358 V360 | M315-F321 HydrophobicContact CB-CD1 4.43Å; M315-F321 HydrophobicContact CB-CD2 4.36Å; M315-F321 HydrophobicContact CB-CE1 4.38Å; M315-F321 HydrophobicContact CB-CE2 4.31Å; M315-F321 HydrophobicContact CB-CG 4.44Å; M315-F321 HydrophobicContact CB-CZ 4.34Å; M315-F321 WeakPolarHBondContact O-CB 3.46Å; M315-F321 HydrophobicContact SD-CE2 3.92Å; M315-F321 HydrophobicContact SD-CZ 4.22Å; M318-F321 HydrophobicContact CB-CD2 4.23Å; M318-F321 PolarHBondContact O-N 3.06Å; P319-F321 PolarHBondContact O-N 2.88Å; P319-F321 VanDerWaalsContact O-N 3.1Å; F321-N323 PolarHBondContact O-N 2.82Å; F321-L324 HydrophobicContact CD1-CD1 4.45Å; F321-L324 PolarHBondContact O-N 3.32Å; F321-K329 HydrophobicContact CD1-CB 4.32Å; F321-K329 HydrophobicContact CD1-CG 4.14Å; F321-K329 WeakPolarHBondContact O-CE 3.38Å; F321-K329 PolarHBondContact O-NZ 2.81Å; F321-L332 HydrophobicContact CD1-CD1 4.23Å; F321-L332 HydrophobicContact CE1-CB 3.87Å; F321-L332 HydrophobicContact CE1-CD1 3.77Å; F321-L332 HydrophobicContact CE1-CG 4.49Å; F321-L332 HydrophobicContact CZ-CD1 4.49Å; F321-M336 HydrophobicContact CE1-CE 3.99Å; F321-M336 HydrophobicContact CZ-CE 3.57Å; F321-W358 HydrophobicContact CD2-CH2 4.46Å; F321-W358 HydrophobicContact CE1-CH2 4.45Å; F321-W358 AromaticContact CE2-CH2 3.89Å; F321-W358 HydrophobicContact CE2-CH2 3.89Å; F321-W358 HydrophobicContact CE2-CZ3 4.33Å; F321-W358 AromaticContact CZ-CH2 3.88Å; F321-W358 HydrophobicContact CZ-CH2 3.88Å; F321-W358 AromaticContact CZ-CZ3 3.95Å; F321-W358 HydrophobicContact CZ-CZ3 3.95Å; F321-V360 HydrophobicContact CE2-CG1 4.39Å; F321-V360 HydrophobicContact CE2-CG2 4.03Å |
| 322 | A | 64.5 | Low | 77.8 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -50.3 | -42 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M318 P319 | M318-A322 PolarHBondContact O-N 3.49Å; M318-A322 VanDerWaalsContact O-N 3.13Å; P319-A322 WeakPolarHBondContact O-CB 3.18Å; P319-A322 PolarHBondContact O-N 2.82Å; P319-A322 VanDerWaalsContact O-N 3.14Å |
| 323 | N | 61.2 | Low | 78.1 | Confident | 154 Ų | 154 | 42.5 Ų | 42.5 | 82% | 0.824 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 3.1 | -175.1 | -64.2 | -33.4 | 0 | 0 | 0 | 114.8 | F321 | F321-N323 PolarHBondContact O-N 2.82Š|
| 324 | L | 73.4 | Confident | 78.6 | Confident | 27 Ų | 27 | 44.5 Ų | 44.5 | 14% | 0.141 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -88.2 | 136.8 | -178.9 | -59.4 | 177.8 | 0 | 0 | 0 | 111 | F321 V328 K329 L332 M420 L423 | F321-L324 HydrophobicContact CD1-CD1 4.45Å; F321-L324 PolarHBondContact O-N 3.32Å; L324-V328 HydrophobicContact CB-CB 4.45Å; L324-V328 HydrophobicContact CB-CG1 4.07Å; L324-V328 HydrophobicContact CD1-CG1 4.06Å; L324-V328 HydrophobicContact CD2-CG1 4.27Å; L324-V328 HydrophobicContact CG-CG1 4.37Å; L324-K329 HydrophobicContact CB-CG 3.94Å; L324-K329 WeakPolarHBondContact O-CE 3.34Å; L324-K329 PolarHBondContact O-NZ 2.96Å; L324-L332 HydrophobicContact CD1-CD1 3.45Å; L324-L332 VanDerWaalsContact CD1-CD1 3.45Å; L324-M420 HydrophobicContact CD2-CE 4.07Å; L324-M420 HydrophobicContact CD2-SD 4.2Å; L324-L423 HydrophobicContact CD2-CD1 4.45Å |
| 325 | P | 70.8 | Confident | 78.9 | Confident | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | trans | -53.9 | 146.6 | 169.5 | -27.1 | 35.9 | 0 | 0 | 0 | 111.9 | Y327 V328 K329 L423 | P325-Y327 HydrophobicContact CB-CD1 3.56Å; P325-Y327 HydrophobicContact CB-CE1 3.38Å; P325-Y327 HydrophobicContact CG-CE1 3.96Å; P325-Y327 PolarHBondContact O-N 2.94Å; P325-Y327 VanDerWaalsContact O-N 3.15Å; P325-V328 WeakPolarHBondContact O-CA 3.37Å; P325-V328 WeakPolarHBondContact O-CB 3.18Å; P325-V328 PolarHBondContact O-N 2.8Å; P325-K329 PolarHBondContact O-N 2.85Å; P325-L423 VanDerWaalsContact CD-CD2 3.46Å; P325-L423 HydrophobicContact CG-CD2 3.57Å | ||
| 326 | S | 70.2 | Confident | 79.5 | Confident | 75 Ų | 75 | 44.9 Ų | 44.9 | 52% | 0.524 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -54.9 | -38.7 | -176.3 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | V328 K329 C330 | S326-V328 VanDerWaalsContact C-N 3.32Å; S326-V328 PolarHBondContact O-N 2.79Å; S326-K329 WeakPolarHBondContact O-CB 3.41Å; S326-K329 PolarHBondContact O-N 3.42Å; S326-C330 PolarHBondContact O-N 2.87Å; S326-C330 PolarHBondContact O-SG 2.75Å |
| 327 | Y | 75.5 | Confident | 80.1 | Confident | 74 Ų | 74 | 45.1 Ų | 45.1 | 29% | 0.29 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.3 | -35 | 177.9 | 80.5 | -89.3 | 0 | 0 | 0 | 112.5 | P325 C330 E331 R422 L423 S426 | P325-Y327 HydrophobicContact CB-CD1 3.56Å; P325-Y327 HydrophobicContact CB-CE1 3.38Å; P325-Y327 HydrophobicContact CG-CE1 3.96Å; P325-Y327 PolarHBondContact O-N 2.94Å; P325-Y327 VanDerWaalsContact O-N 3.15Å; Y327-C330 WeakPolarHBondContact O-CB 3.45Å; Y327-C330 PolarHBondContact O-N 2.92Å; Y327-E331 WeakPolarHBondContact O-CG 2.95Å; Y327-E331 PolarHBondContact O-N 2.85Å; Y327-R422 PolarHBondContact OH-O 3.47Å; Y327-L423 VanDerWaalsContact OH-CA 3.26Å; Y327-L423 WeakPolarHBondContact OH-CA 3.16Å; Y327-L423 WeakPolarHBondContact OH-CD2 3.34Å; Y327-S426 VanDerWaalsContact CZ-OG 3.28Å; Y327-S426 VanDerWaalsContact OH-CB 3.31Å; Y327-S426 WeakPolarHBondContact OH-CB 3.19Å; Y327-S426 PolarHBondContact OH-OG 2.92Å |
| 328 | V | 81.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.6 | -42.6 | 173.9 | 166.6 | 0 | 0 | 0 | 0 | 110.8 | L324 P325 S326 C330 E331 L332 I419 M420 L423 | L324-V328 HydrophobicContact CB-CB 4.45Å; L324-V328 HydrophobicContact CB-CG1 4.07Å; L324-V328 HydrophobicContact CD1-CG1 4.06Å; L324-V328 HydrophobicContact CD2-CG1 4.27Å; L324-V328 HydrophobicContact CG-CG1 4.37Å; P325-V328 WeakPolarHBondContact O-CA 3.37Å; P325-V328 WeakPolarHBondContact O-CB 3.18Å; P325-V328 PolarHBondContact O-N 2.8Å; S326-V328 VanDerWaalsContact C-N 3.32Å; S326-V328 PolarHBondContact O-N 2.79Å; V328-C330 VanDerWaalsContact C-N 3.26Å; V328-C330 PolarHBondContact O-N 2.99Å; V328-E331 PolarHBondContact O-N 3.31Å; V328-L332 HydrophobicContact CG1-CD1 3.9Å; V328-L332 HydrophobicContact CG1-CG 4.23Å; V328-L332 WeakPolarHBondContact O-CB 3.34Å; V328-L332 VanDerWaalsContact O-CG 3.29Å; V328-L332 WeakPolarHBondContact O-CG 3.24Å; V328-L332 PolarHBondContact O-N 3.34Å; V328-I419 HydrophobicContact CB-CG2 4.32Å; V328-I419 HydrophobicContact CG1-CG2 3.8Å; V328-I419 HydrophobicContact CG2-CG2 4.2Å; V328-M420 HydrophobicContact CG1-SD 4.19Å; V328-L423 HydrophobicContact CB-CD2 4.15Å; V328-L423 HydrophobicContact CG1-CD2 4.49Å; V328-L423 HydrophobicContact CG2-CD1 4.46Å; V328-L423 HydrophobicContact CG2-CD2 3.26Å; V328-L423 HydrophobicContact CG2-CG 3.71Å |
| 329 | K | 86.4 | Confident | 81.5 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.4 | -45 | 172.8 | -61.4 | 177.1 | 165.2 | 165.9 | 0 | 110.8 | L312 Q316 F321 L324 P325 S326 L332 C333 | L312-K329 HydrophobicContact CD1-CB 3.37Å; L312-K329 HydrophobicContact CD1-CD 4.28Å; L312-K329 HydrophobicContact CD1-CG 4.44Å; Q316-K329 HydrophobicContact CB-CD 4.24Å; F321-K329 HydrophobicContact CD1-CB 4.32Å; F321-K329 HydrophobicContact CD1-CG 4.14Å; F321-K329 WeakPolarHBondContact O-CE 3.38Å; F321-K329 PolarHBondContact O-NZ 2.81Å; L324-K329 HydrophobicContact CB-CG 3.94Å; L324-K329 WeakPolarHBondContact O-CE 3.34Å; L324-K329 PolarHBondContact O-NZ 2.96Å; P325-K329 PolarHBondContact O-N 2.85Å; S326-K329 WeakPolarHBondContact O-CB 3.41Å; S326-K329 PolarHBondContact O-N 3.42Å; K329-L332 PolarHBondContact O-N 2.99Å; K329-C333 WeakPolarHBondContact O-CB 3.38Å; K329-C333 PolarHBondContact O-N 3.48Å; K329-C333 PolarHBondContact O-SG 3.17Å |
| 330 | C | 85.3 | Confident | 82.5 | Confident | 22 Ų | 22 | 39.8 Ų | 39.8 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | S326 Y327 V328 L332 C333 R334 | S326-C330 PolarHBondContact O-N 2.87Å; S326-C330 PolarHBondContact O-SG 2.75Å; Y327-C330 WeakPolarHBondContact O-CB 3.45Å; Y327-C330 PolarHBondContact O-N 2.92Å; V328-C330 VanDerWaalsContact C-N 3.26Å; V328-C330 PolarHBondContact O-N 2.99Å; C330-L332 VanDerWaalsContact C-N 3.32Å; C330-L332 PolarHBondContact O-N 3.1Å; C330-C333 PolarHBondContact O-N 3.4Å; C330-R334 WeakPolarHBondContact O-CG 3.49Å; C330-R334 PolarHBondContact O-N 3.4Å |
| 331 | E | 86.8 | Confident | 83.1 | Confident | 30 Ų | 30 | 40.4 Ų | 40.4 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.2 | -35.3 | -180 | -72.2 | -64.9 | 105.4 | 0 | 0 | 112.4 | Y327 V328 R334 R335 I419 R422 | Y327-E331 WeakPolarHBondContact O-CG 2.95Å; Y327-E331 PolarHBondContact O-N 2.85Å; V328-E331 PolarHBondContact O-N 3.31Å; E331-R334 WeakPolarHBondContact OE1-CD 3.38Å; E331-R334 IonicContact OE1-CZ 3.8Å; E331-R334 IonicContact OE1-NH1 3.76Å; E331-R334 PolarHBondContact OE1-NH1 3.27Å; E331-R335 PolarHBondContact O-N 3.15Å; E331-R335 IonicContact OE2-CZ 3.83Å; E331-R335 IonicContact OE2-NH1 2.94Å; E331-R335 PolarHBondContact OE2-NH1 3.19Å; E331-R335 IonicContact OE2-NH2 3.81Å; E331-I419 HydrophobicContact CB-CD1 4.23Å; E331-I419 HydrophobicContact CB-CG1 4.04Å; E331-I419 HydrophobicContact CB-CG2 3.86Å; E331-R422 IonicContact OE2-NH1 3.02Å; E331-R422 PolarHBondContact OE2-NH1 3.02Å |
| 332 | L | 91.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.6 | -47.6 | 171.1 | -68.5 | 171.7 | 0 | 0 | 0 | 110.4 | F321 L324 V328 K329 C330 R334 R335 M336 W358 V411 Y416 I419 | F321-L332 HydrophobicContact CD1-CD1 4.23Å; F321-L332 HydrophobicContact CE1-CB 3.87Å; F321-L332 HydrophobicContact CE1-CD1 3.77Å; F321-L332 HydrophobicContact CE1-CG 4.49Å; F321-L332 HydrophobicContact CZ-CD1 4.49Å; L324-L332 HydrophobicContact CD1-CD1 3.45Å; L324-L332 VanDerWaalsContact CD1-CD1 3.45Å; V328-L332 HydrophobicContact CG1-CD1 3.9Å; V328-L332 HydrophobicContact CG1-CG 4.23Å; V328-L332 WeakPolarHBondContact O-CB 3.34Å; V328-L332 VanDerWaalsContact O-CG 3.29Å; V328-L332 WeakPolarHBondContact O-CG 3.24Å; V328-L332 PolarHBondContact O-N 3.34Å; K329-L332 PolarHBondContact O-N 2.99Å; C330-L332 VanDerWaalsContact C-N 3.32Å; C330-L332 PolarHBondContact O-N 3.1Å; L332-R334 PolarHBondContact O-N 3.41Å; L332-R335 PolarHBondContact O-N 3.22Å; L332-R335 VanDerWaalsContact O-N 3.12Å; L332-M336 HydrophobicContact CB-CE 4.45Å; L332-M336 VanDerWaalsContact O-CB 3.24Å; L332-M336 WeakPolarHBondContact O-CB 3.33Å; L332-M336 WeakPolarHBondContact O-CG 3.41Å; L332-M336 PolarHBondContact O-N 3.12Å; L332-W358 HydrophobicContact CD1-CH2 4.29Å; L332-W358 HydrophobicContact CD1-CZ3 4.1Å; L332-W358 HydrophobicContact CD2-CE3 4.43Å; L332-W358 HydrophobicContact CD2-CZ3 4.25Å; L332-V411 HydrophobicContact CD2-CB 4.47Å; L332-V411 HydrophobicContact CD2-CG1 4.17Å; L332-V411 HydrophobicContact CD2-CG2 4Å; L332-Y416 HydrophobicContact CD2-CD2 3.81Å; L332-Y416 HydrophobicContact CD2-CE2 4.2Å; L332-I419 HydrophobicContact CD2-CD1 3.82Å; L332-I419 HydrophobicContact CD2-CG2 4.39Å; L332-I419 HydrophobicContact CG-CD1 4.43Å; L332-I419 HydrophobicContact CG-CG2 4.37Å |
| 333 | C | 91.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -32.5 | 177.2 | -66.8 | 0 | 0 | 0 | 0 | 113 | R303 V308 L311 K329 C330 M336 | R303-C333 PolarHBondContact NH1-O 2.97Å; V308-C333 HydrophobicContact CG1-CB 4.09Å; L311-C333 HydrophobicContact CB-CB 4.08Å; K329-C333 WeakPolarHBondContact O-CB 3.38Å; K329-C333 PolarHBondContact O-N 3.48Å; K329-C333 PolarHBondContact O-SG 3.17Å; C330-C333 PolarHBondContact O-N 3.4Å; C333-M336 HydrophobicContact CB-CE 4.25Å; C333-M336 HydrophobicContact CB-SD 4.49Å |
| 334 | R | 91.1 | Very high | 86.2 | Confident | 86 Ų | 86 | 44.4 Ų | 44.4 | 33% | 0.325 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.1 | -35.5 | 175.2 | -78.5 | 172.7 | 179.5 | 137.5 | 1.3 | 113.5 | P300 E305 V308 C330 E331 L332 | P300-R334 WeakPolarHBondContact CB-O 3.09Å; E305-R334 IonicContact OE1-NH2 2.76Å; V308-R334 HydrophobicContact CB-CG 4.45Å; V308-R334 HydrophobicContact CG1-CG 4.01Å; V308-R334 HydrophobicContact CG2-CG 3.53Å; C330-R334 WeakPolarHBondContact O-CG 3.49Å; C330-R334 PolarHBondContact O-N 3.4Å; E331-R334 WeakPolarHBondContact OE1-CD 3.38Å; E331-R334 IonicContact OE1-CZ 3.8Å; E331-R334 IonicContact OE1-NH1 3.76Å; E331-R334 PolarHBondContact OE1-NH1 3.27Å; L332-R334 PolarHBondContact O-N 3.41Å |
| 335 | R | 90.8 | Very high | 86.9 | Confident | 60 Ų | 60 | 46.4 Ų | 46.4 | 23% | 0.226 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -105.7 | -13.4 | -172 | -74.8 | 169.4 | 168.5 | 88.5 | -3.1 | 114.8 | E331 L332 D415 | E331-R335 PolarHBondContact O-N 3.15Å; E331-R335 IonicContact OE2-CZ 3.83Å; E331-R335 IonicContact OE2-NH1 2.94Å; E331-R335 PolarHBondContact OE2-NH1 3.19Å; E331-R335 IonicContact OE2-NH2 3.81Å; L332-R335 PolarHBondContact O-N 3.22Å; L332-R335 VanDerWaalsContact O-N 3.12Å; R335-D415 WeakPolarHBondContact CD-OD1 3.45Å; R335-D415 IonicContact NE-OD1 3.63Å; R335-D415 PolarHBondContact NE-OD1 3.04Å |
| 336 | M | 93.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -66.9 | 144.9 | -175.9 | 67 | 178.2 | 43.5 | 0 | 0 | 112.6 | L296 R303 L311 M315 F321 L332 C333 V409 L410 V411 | L296-M336 HydrophobicContact CD2-CG 4.32Å; L296-M336 HydrophobicContact CD2-SD 3.92Å; R303-M336 VanDerWaalsContact NH1-CG 3.32Å; R303-M336 PolarHBondContact NH1-O 3.19Å; R303-M336 PolarHBondContact NH2-O 3.48Å; L311-M336 HydrophobicContact CD1-SD 4.45Å; M315-M336 HydrophobicContact CG-CE 4.21Å; M315-M336 HydrophobicContact CG-SD 4.42Å; M315-M336 HydrophobicContact SD-CE 4.35Å; F321-M336 HydrophobicContact CE1-CE 3.99Å; F321-M336 HydrophobicContact CZ-CE 3.57Å; L332-M336 HydrophobicContact CB-CE 4.45Å; L332-M336 VanDerWaalsContact O-CB 3.24Å; L332-M336 WeakPolarHBondContact O-CB 3.33Å; L332-M336 WeakPolarHBondContact O-CG 3.41Å; L332-M336 PolarHBondContact O-N 3.12Å; C333-M336 HydrophobicContact CB-CE 4.25Å; C333-M336 HydrophobicContact CB-SD 4.49Å; M336-V409 HydrophobicContact CB-CG1 3.41Å; M336-V409 VanDerWaalsContact CB-CG1 3.41Å; M336-V409 HydrophobicContact CE-CG1 3.71Å; M336-V409 HydrophobicContact CG-CG1 3.68Å; M336-V409 HydrophobicContact SD-CG1 3.36Å; M336-V409 WeakPolarHBondContact SD-CG1 3.3Å; M336-L410 CarbonylContact C-O 3.49Å; M336-L410 VanDerWaalsContact CA-O 3.24Å; M336-L410 WeakPolarHBondContact CA-O 3.18Å; M336-V411 HydrophobicContact CB-CG2 3.81Å | ||
| 337 | V | 91.2 | Very high | 88.8 | Confident | 72 Ų | 72 | 48 Ų | 48 | 44% | 0.436 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 143.7 | 179.6 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | P300 V409 L410 | P300-V337 HydrophobicContact CG-CG2 3.79Å; V337-V409 CarbonylContact O-C 3.22Å; V337-V409 VanDerWaalsContact O-CA 3.3Å; V337-V409 WeakPolarHBondContact O-CA 3.34Å; V337-L410 PolarHBondContact N-O 3.13Å; V337-L410 PolarHBondContact O-N 2.94Å |
| 338 | F | 91.8 | Very high | 89.4 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 134.8 | 178.4 | -179.5 | -119.8 | 0 | 0 | 0 | 111.2 | L296 E297 V340 I362 Q407 | L296-F338 HydrophobicContact CB-CB 3.91Å; L296-F338 HydrophobicContact CB-CD2 4.26Å; L296-F338 HydrophobicContact CB-CG 4.05Å; L296-F338 HydrophobicContact CD1-CD2 3.9Å; L296-F338 HydrophobicContact CD1-CE2 4.36Å; L296-F338 WeakPolarHBondContact O-CB 3.47Å; E297-F338 HydrophobicContact CG-CD1 4.24Å; E297-F338 HydrophobicContact CG-CE1 4.38Å; F338-V340 HydrophobicContact CD1-CG2 4.15Å; F338-V340 HydrophobicContact CE1-CG2 3.36Å; F338-V340 HydrophobicContact CE2-CG2 4.25Å; F338-V340 HydrophobicContact CZ-CG2 3.43Å; F338-V340 VanDerWaalsContact CZ-CG2 3.43Å; F338-I362 HydrophobicContact CD2-CD1 3.73Å; F338-I362 HydrophobicContact CE2-CD1 3.46Å; F338-I362 VanDerWaalsContact CE2-CD1 3.46Å; F338-I362 HydrophobicContact CE2-CG1 4.45Å; F338-Q407 HydrophobicContact CE2-CB 3.85Å; F338-Q407 HydrophobicContact CE2-CG 4.13Å; F338-Q407 HydrophobicContact CZ-CB 4.29Å; F338-Q407 HydrophobicContact CZ-CG 4.05Å |
| 339 | A | 89.8 | Confident | 89.7 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q407 F408 L410 | A339-Q407 WeakPolarHBondContact O-CA 3.32Å; A339-F408 HydrophobicContact CB-CB 4.5Å; A339-F408 PolarHBondContact N-O 3.35Å; A339-F408 PolarHBondContact O-N 2.86Å; A339-L410 HydrophobicContact CB-CD1 3.39Å |
| 340 | V | 89.7 | Confident | 89.8 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 33% | 0.333 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 137.2 | 178.9 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | F338 C406 Q407 | F338-V340 HydrophobicContact CD1-CG2 4.15Å; F338-V340 HydrophobicContact CE1-CG2 3.36Å; F338-V340 HydrophobicContact CE2-CG2 4.25Å; F338-V340 HydrophobicContact CZ-CG2 3.43Å; F338-V340 VanDerWaalsContact CZ-CG2 3.43Å; V340-C406 CarbonylContact C-O 3.55Å; V340-C406 WeakPolarHBondContact CA-O 3.06Å; V340-Q407 HydrophobicContact CG1-CG 4.24Å; V340-Q407 HydrophobicContact CG2-CG 4.17Å |
| 341 | V | 90.9 | Very high | 90 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 103.6 | 173 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | K343 T346 T401 D405 C406 F408 | V341-K343 VanDerWaalsContact C-N 3.34Å; V341-K343 PolarHBondContact O-N 3.02Å; V341-T346 HydrophobicContact CG1-CG2 3.86Å; V341-T401 HydrophobicContact CB-CG2 4.04Å; V341-T401 HydrophobicContact CG1-CG2 3.69Å; V341-D405 WeakPolarHBondContact O-CA 3.33Å; V341-D405 PolarHBondContact O-N 3.18Å; V341-C406 HydrophobicContact CB-CB 4.36Å; V341-C406 PolarHBondContact N-O 3.09Å; V341-C406 PolarHBondContact O-N 3.15Å; V341-F408 HydrophobicContact CB-CE2 4.22Å; V341-F408 HydrophobicContact CG2-CD2 4.22Å; V341-F408 HydrophobicContact CG2-CE2 3.7Å |
| 342 | D | 89.8 | Confident | 90 | Very high | 108 Ų | 108 | 57.7 Ų | 57.7 | 58% | 0.578 | 32% | 0.316 | S | S | * | . | trans | -65.8 | -33.8 | -169.5 | -53.2 | -29.2 | 0 | 0 | 0 | 113.5 | D404 D405 | D342-D404 WeakPolarHBondContact O-CA 3.33Å; D342-D404 WeakPolarHBondContact O-CB 3.13Å; D342-D405 PolarHBondContact O-N 3.32Å | ||
| 343 | K | 89.6 | Confident | 89.9 | Confident | 152 Ų | 152 | 62 Ų | 62 | 66% | 0.661 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -109.7 | 135.6 | -171.7 | -65.6 | -178.8 | -177.2 | 174.9 | 0 | 112.5 | V341 T346 T401 D404 | V341-K343 VanDerWaalsContact C-N 3.34Å; V341-K343 PolarHBondContact O-N 3.02Å; K343-T346 WeakPolarHBondContact O-CB 3.44Å; K343-T346 PolarHBondContact O-OG1 2.95Å; K343-T401 PolarHBondContact O-OG1 2.87Å; K343-D404 WeakPolarHBondContact CA-OD1 3.41Å |
| 344 | A | 89.6 | Confident | 89.8 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 29% | 0.289 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 157.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T346 T401 D404 | A344-T346 PolarHBondContact O-N 2.87Å; A344-T401 WeakPolarHBondContact CA-OG1 3.45Å; A344-D404 WeakPolarHBondContact CB-OD1 2.99Å; A344-D404 PolarHBondContact N-OD1 3.31Å |
| 345 | A | 88.7 | Confident | 89.6 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 18.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T401 | A345-T401 WeakPolarHBondContact CA-O 3.14Å; A345-T401 PolarHBondContact N-O 2.63Å; A345-T401 PolarHBondContact N-OG1 3.33Å |
| 346 | T | 91.1 | Very high | 89.5 | Confident | 54 Ų | 54 | 66.2 Ų | 66.2 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | trans | -78.9 | 126.7 | 174.6 | -58.7 | 0 | 0 | 0 | 0 | 108.9 | V341 K343 A344 V348 R400 T401 | V341-T346 HydrophobicContact CG1-CG2 3.86Å; K343-T346 WeakPolarHBondContact O-CB 3.44Å; K343-T346 PolarHBondContact O-OG1 2.95Å; A344-T346 PolarHBondContact O-N 2.87Å; T346-V348 PolarHBondContact O-N 3.28Å; T346-R400 CarbonylContact O-C 3.55Å; T346-R400 VanDerWaalsContact O-CA 3.27Å; T346-R400 WeakPolarHBondContact O-CA 3.44Å; T346-T401 PolarHBondContact N-OG1 3.13Å; T346-T401 PolarHBondContact O-N 2.66Å | ||
| 347 | I | 89.8 | Confident | 89.4 | Confident | 66 Ų | 66 | 67 Ų | 67 | 34% | 0.338 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 112.4 | 176.2 | -59.4 | 154 | 0 | 0 | 0 | 107.9 | K350 E398 M399 R400 | I347-K350 HydrophobicContact CG2-CG 3.94Å; I347-E398 WeakPolarHBondContact CD1-OE1 3.29Å; I347-E398 HydrophobicContact CG1-CG 4.39Å; I347-E398 VanDerWaalsContact CG1-OE1 3.28Å; I347-E398 WeakPolarHBondContact CG1-OE1 3.36Å; I347-E398 HydrophobicContact CG2-CG 3.87Å; I347-M399 CarbonylContact C-O 3.37Å; I347-M399 VanDerWaalsContact CA-O 3.23Å; I347-M399 WeakPolarHBondContact CA-O 3.43Å; I347-R400 HydrophobicContact CB-CG 4.47Å; I347-R400 HydrophobicContact CG1-CG 3.82Å |
| 348 | V | 87.5 | Confident | 89.5 | Confident | 46 Ų | 46 | 64 Ų | 64 | 28% | 0.279 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -39.1 | -179.7 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | T346 M399 T401 | T346-V348 PolarHBondContact O-N 3.28Å; V348-M399 HydrophobicContact CB-CG 4.21Å; V348-M399 HydrophobicContact CB-SD 4.25Å; V348-M399 HydrophobicContact CG1-SD 4.43Å; V348-M399 PolarHBondContact N-O 3.47Å; V348-T401 HydrophobicContact CG2-CG2 3.61Å |
| 349 | M | 87.7 | Confident | 89.5 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 11% | 0.108 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 143 | 176.6 | -63.7 | -173.1 | -73.2 | 0 | 0 | 110.7 | E353 L355 F384 H395 M399 | M349-E353 WeakPolarHBondContact CA-OE2 3.35Å; M349-L355 HydrophobicContact CE-CD2 4.3Å; M349-L355 HydrophobicContact SD-CD2 3.45Å; M349-L355 WeakPolarHBondContact SD-CD2 3.3Å; M349-F384 HydrophobicContact CE-CD2 3.51Å; M349-F384 HydrophobicContact CE-CE2 3.6Å; M349-H395 HydrophobicContact CB-CB 4.48Å; M349-H395 HydrophobicContact SD-CB 4.45Å; M349-M399 HydrophobicContact CB-CB 3.99Å; M349-M399 HydrophobicContact CE-CB 4.38Å; M349-M399 HydrophobicContact CE-CE 3.31Å; M349-M399 HydrophobicContact CE-CG 4.45Å; M349-M399 HydrophobicContact CE-SD 3.24Å; M349-M399 WeakPolarHBondContact CE-SD 3.41Å; M349-M399 PolarHBondContact N-O 2.96Å; M349-M399 PolarHBondContact O-N 3.1Å |
| 350 | K | 89.4 | Confident | 89.6 | Confident | 132 Ų | 132 | 61 Ų | 61 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | trans | -97.6 | 157.5 | 176.8 | -67.3 | 177.9 | -177.4 | 173.2 | 0 | 111.5 | I347 G352 E353 G397 | I347-K350 HydrophobicContact CG2-CG 3.94Å; K350-G352 PolarHBondContact O-N 3.49Å; K350-E353 HydrophobicContact CB-CB 4.42Å; K350-E353 PolarHBondContact N-OE2 2.94Å; K350-E353 WeakPolarHBondContact O-CB 3.4Å; K350-E353 PolarHBondContact O-N 3.3Å; K350-E353 VanDerWaalsContact O-N 3.08Å; K350-G397 CarbonylContact C-O 3.32Å | ||
| 351 | H | 89.5 | Confident | 89.5 | Confident | 114 Ų | 114 | 58.3 Ų | 58.3 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 129.3 | 173.7 | 177 | 72.9 | 0 | 0 | 0 | 110.4 | E353 P371 G397 | H351-E353 VanDerWaalsContact C-N 3.28Å; H351-E353 PolarHBondContact O-N 3.06Å; H351-P371 WeakPolarHBondContact CE1-CG 3.19Å; H351-P371 WeakPolarHBondContact ND1-CG 3.28Å; H351-G397 WeakPolarHBondContact CA-O 3.37Å; H351-G397 WeakPolarHBondContact CB-O 3.39Å; H351-G397 PolarHBondContact N-O 2.68Å; H351-G397 PolarHBondContact ND1-N 2.84Å; H351-G397 VanDerWaalsContact ND1-N 3.14Å |
| 352 | G | 86 | Confident | 89.2 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 6.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K350 F394 H395 | K350-G352 PolarHBondContact O-N 3.49Å; G352-F394 WeakPolarHBondContact O-CD1 3.34Å; G352-H395 PolarHBondContact N-O 2.81Å |
| 353 | E | 90.2 | Very high | 89 | Confident | 91 Ų | 91 | 55.8 Ų | 55.8 | 43% | 0.425 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 138.7 | 172.5 | -173.5 | 166 | -168 | 0 | 0 | 110.6 | M349 K350 H351 L355 F394 H395 | M349-E353 WeakPolarHBondContact CA-OE2 3.35Å; K350-E353 HydrophobicContact CB-CB 4.42Å; K350-E353 PolarHBondContact N-OE2 2.94Å; K350-E353 WeakPolarHBondContact O-CB 3.4Å; K350-E353 PolarHBondContact O-N 3.3Å; K350-E353 VanDerWaalsContact O-N 3.08Å; H351-E353 VanDerWaalsContact C-N 3.28Å; H351-E353 PolarHBondContact O-N 3.06Å; E353-L355 PolarHBondContact O-N 3.15Å; E353-F394 CarbonylContact O-C 3.42Å; E353-F394 VanDerWaalsContact O-CA 3.27Å; E353-F394 WeakPolarHBondContact O-CA 3.4Å; E353-H395 PolarHBondContact O-N 3.03Å |
| 354 | Q | 88.3 | Confident | 88.8 | Confident | 109 Ų | 109 | 49 Ų | 49 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 128.1 | 178.2 | -175 | 179.1 | -17 | 0 | 0 | 109.7 | Q393 F394 | Q354-Q393 WeakPolarHBondContact CA-O 3.1Å; Q354-F394 HydrophobicContact CB-CD1 3.98Å; Q354-F394 HydrophobicContact CB-CE1 3.82Å; Q354-F394 HydrophobicContact CG-CE1 4.19Å |
| 355 | L | 87 | Confident | 88.8 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124.7 | 173.7 | -64.2 | 172.3 | 0 | 0 | 0 | 108.9 | M349 E353 V386 Q393 H395 | M349-L355 HydrophobicContact CE-CD2 4.3Å; M349-L355 HydrophobicContact SD-CD2 3.45Å; M349-L355 WeakPolarHBondContact SD-CD2 3.3Å; E353-L355 PolarHBondContact O-N 3.15Å; L355-V386 HydrophobicContact CB-CG1 3.48Å; L355-V386 VanDerWaalsContact CB-CG1 3.48Å; L355-V386 WeakPolarHBondContact O-CG1 3.07Å; L355-Q393 HydrophobicContact CB-CB 4.32Å; L355-Q393 HydrophobicContact CD1-CB 4.14Å; L355-Q393 PolarHBondContact N-O 3.46Å; L355-H395 HydrophobicContact CD2-CB 3.78Å; L355-H395 HydrophobicContact CG-CB 4.2Å |
| 356 | D | 89.7 | Confident | 88.8 | Confident | 110 Ų | 110 | 47.6 Ų | 47.6 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | trans | -115.3 | -7.9 | -178.8 | 65.9 | -5.9 | 0 | 0 | 0 | 113.2 | Q413 | D356-Q413 WeakPolarHBondContact O-CB 3.41Å; D356-Q413 PolarHBondContact O-N 2.94Å | ||
| 357 | S | 90.3 | Very high | 88.9 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 149.9 | -170.5 | 52 | 0 | 0 | 0 | 0 | 112.1 | G385 V386 V411 | S357-G385 WeakPolarHBondContact O-CA 3.25Å; S357-V386 PolarHBondContact O-N 3.11Å; S357-V411 CarbonylContact C-O 3.34Å; S357-V411 VanDerWaalsContact CA-O 3.23Å; S357-V411 WeakPolarHBondContact CA-O 3.3Å; S357-V411 WeakPolarHBondContact CB-O 3.44Å |
| 358 | W | 92.7 | Very high | 88.9 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 3% | 0.034 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.9 | 167.4 | 176.6 | 76.1 | 0 | 0 | 0 | 107.9 | A320 F321 L332 V360 C383 V386 L410 V411 Y416 | A320-W358 HydrophobicContact CB-CH2 4.28Å; A320-W358 HydrophobicContact CB-CZ2 4.06Å; F321-W358 HydrophobicContact CD2-CH2 4.46Å; F321-W358 HydrophobicContact CE1-CH2 4.45Å; F321-W358 AromaticContact CE2-CH2 3.89Å; F321-W358 HydrophobicContact CE2-CH2 3.89Å; F321-W358 HydrophobicContact CE2-CZ3 4.33Å; F321-W358 AromaticContact CZ-CH2 3.88Å; F321-W358 HydrophobicContact CZ-CH2 3.88Å; F321-W358 AromaticContact CZ-CZ3 3.95Å; F321-W358 HydrophobicContact CZ-CZ3 3.95Å; L332-W358 HydrophobicContact CD1-CH2 4.29Å; L332-W358 HydrophobicContact CD1-CZ3 4.1Å; L332-W358 HydrophobicContact CD2-CE3 4.43Å; L332-W358 HydrophobicContact CD2-CZ3 4.25Å; W358-V360 HydrophobicContact CD2-CG2 4.4Å; W358-V360 HydrophobicContact CE3-CG2 4.11Å; W358-V360 HydrophobicContact CH2-CG2 3.33Å; W358-V360 HydrophobicContact CZ2-CG2 3.63Å; W358-V360 HydrophobicContact CZ3-CG2 3.58Å; W358-C383 HydrophobicContact CZ2-CB 3.71Å; W358-V386 HydrophobicContact CB-CG2 3.89Å; W358-L410 CarbonylContact O-C 3.47Å; W358-L410 WeakPolarHBondContact O-CA 3.34Å; W358-V411 HydrophobicContact CE3-CB 4.27Å; W358-V411 HydrophobicContact CE3-CG2 4.04Å; W358-V411 HydrophobicContact CZ3-CG2 4.4Å; W358-V411 PolarHBondContact N-O 3.45Å; W358-V411 PolarHBondContact O-N 3.2Å; W358-Y416 HydrophobicContact CB-CD1 3.92Å; W358-Y416 HydrophobicContact CB-CD2 3.94Å; W358-Y416 HydrophobicContact CB-CE1 4.11Å; W358-Y416 HydrophobicContact CB-CE2 4.17Å; W358-Y416 HydrophobicContact CB-CG 3.81Å; W358-Y416 AromaticContact CD1-CE1 3.94Å; W358-Y416 AromaticContact CD1-CZ 3.69Å; W358-Y416 HydrophobicContact CD2-CD2 4.01Å; W358-Y416 AromaticContact CD2-CE2 3.59Å; W358-Y416 HydrophobicContact CD2-CE2 3.59Å; W358-Y416 AromaticContact CD2-CZ 3.96Å; W358-Y416 AromaticContact CE2-CE2 3.96Å; W358-Y416 HydrophobicContact CE3-CD2 4.09Å; W358-Y416 AromaticContact CE3-CE2 3.92Å; W358-Y416 HydrophobicContact CE3-CE2 3.92Å; W358-Y416 HydrophobicContact CG-CD1 4.27Å; W358-Y416 AromaticContact CG-CD2 3.97Å; W358-Y416 HydrophobicContact CG-CD2 3.97Å; W358-Y416 AromaticContact CG-CE1 3.99Å; W358-Y416 HydrophobicContact CG-CE1 3.99Å; W358-Y416 AromaticContact CG-CE2 3.71Å; W358-Y416 HydrophobicContact CG-CE2 3.71Å; W358-Y416 HydrophobicContact CG-CG 4.25Å; W358-Y416 AromaticContact CG-CZ 3.71Å; W358-Y416 AromaticContact NE1-CZ 3.9Å |
| 359 | S | 92.4 | Very high | 89 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143.9 | -168.5 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | C383 F384 V409 L410 | S359-C383 CarbonylContact O-C 3.48Å; S359-C383 WeakPolarHBondContact O-CA 3.47Å; S359-C383 WeakPolarHBondContact O-CB 3.25Å; S359-F384 PolarHBondContact N-O 3.43Å; S359-F384 PolarHBondContact O-N 3.42Å; S359-V409 CarbonylContact C-O 3.36Å; S359-V409 WeakPolarHBondContact CA-O 3.38Å; S359-L410 VanDerWaalsContact OG-CD2 3.23Å; S359-L410 WeakPolarHBondContact OG-CD2 3.49Å |
| 360 | V | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 136.3 | 176.7 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | A320 F321 W358 D382 C383 F408 V409 | A320-V360 HydrophobicContact CB-CG1 3.8Å; A320-V360 HydrophobicContact CB-CG2 3.88Å; F321-V360 HydrophobicContact CE2-CG1 4.39Å; F321-V360 HydrophobicContact CE2-CG2 4.03Å; W358-V360 HydrophobicContact CD2-CG2 4.4Å; W358-V360 HydrophobicContact CE3-CG2 4.11Å; W358-V360 HydrophobicContact CH2-CG2 3.33Å; W358-V360 HydrophobicContact CZ2-CG2 3.63Å; W358-V360 HydrophobicContact CZ3-CG2 3.58Å; V360-D382 WeakPolarHBondContact CA-O 3.07Å; V360-C383 HydrophobicContact CG2-CB 3.91Å; V360-F408 CarbonylContact O-C 3.49Å; V360-F408 WeakPolarHBondContact O-CA 3.47Å; V360-V409 PolarHBondContact N-O 2.98Å; V360-V409 PolarHBondContact O-N 3.41Å |
| 361 | I | 88.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 121.9 | 176.8 | -54.8 | -175.2 | 0 | 0 | 0 | 109.5 | M318 G364 V366 G381 D382 F384 F408 | M318-I361 WeakPolarHBondContact CE-O 3.49Å; I361-G364 WeakPolarHBondContact CG2-O 3.26Å; I361-V366 HydrophobicContact CD1-CB 4.16Å; I361-V366 HydrophobicContact CD1-CG2 3.94Å; I361-G381 PolarHBondContact O-N 3.06Å; I361-D382 PolarHBondContact N-O 2.8Å; I361-F384 HydrophobicContact CD1-CE1 4.05Å; I361-F384 HydrophobicContact CG1-CD1 4.33Å; I361-F384 HydrophobicContact CG1-CE1 3.71Å; I361-F408 HydrophobicContact CD1-CE1 4.33Å; I361-F408 HydrophobicContact CG1-CD1 4.03Å; I361-F408 HydrophobicContact CG1-CE1 3.88Å |
| 362 | I | 85.2 | Confident | 88.2 | Confident | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -14.8 | 175.9 | 60.9 | 163.5 | 0 | 0 | 0 | 113.2 | L296 M315 M318 F338 L380 Q407 V409 | L296-I362 HydrophobicContact CD1-CD1 3.64Å; M315-I362 HydrophobicContact CE-CG2 3.58Å; M315-I362 HydrophobicContact SD-CG2 4.25Å; M318-I362 HydrophobicContact CE-CB 4.36Å; M318-I362 HydrophobicContact CE-CG2 4.03Å; F338-I362 HydrophobicContact CD2-CD1 3.73Å; F338-I362 HydrophobicContact CE2-CD1 3.46Å; F338-I362 VanDerWaalsContact CE2-CD1 3.46Å; F338-I362 HydrophobicContact CE2-CG1 4.45Å; I362-L380 WeakPolarHBondContact O-CD1 3.27Å; I362-Q407 HydrophobicContact CD1-CB 4.12Å; I362-Q407 HydrophobicContact CG1-CB 3.69Å; I362-Q407 WeakPolarHBondContact CG1-O 3.09Å; I362-Q407 PolarHBondContact N-O 3.07Å; I362-V409 HydrophobicContact CB-CG2 4.42Å; I362-V409 HydrophobicContact CD1-CG2 3.6Å; I362-V409 HydrophobicContact CG1-CG2 4.04Å; I362-V409 HydrophobicContact CG2-CB 4.25Å; I362-V409 HydrophobicContact CG2-CG2 3.56Å |
| 363 | N | 84.1 | Confident | 88 | Confident | 66 Ų | 66 | 43 Ų | 43 | 35% | 0.353 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 148.6 | 165.2 | -166.2 | 19.2 | 0 | 0 | 0 | 110 | C406 Q407 | N363-C406 CarbonylContact O-C 3.34Å; N363-C406 WeakPolarHBondContact O-CA 3.31Å; N363-Q407 HydrophobicContact CB-CB 3.76Å; N363-Q407 HydrophobicContact CB-CG 3.92Å; N363-Q407 PolarHBondContact N-O 3.28Å; N363-Q407 PolarHBondContact O-N 3.19Å |
| 364 | G | 86.7 | Confident | 87.3 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 87.9 | -172.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I361 | I361-G364 WeakPolarHBondContact CG2-O 3.26Š|
| 365 | E | 88.7 | Confident | 86.9 | Confident | 74 Ų | 74 | 39 Ų | 39 | 35% | 0.346 | 22% | 0.218 | S | C | . | . | trans | -141 | 149 | -175.1 | -60.7 | -177.9 | 174.6 | 0 | 0 | 109.7 | Y378 R379 L402 V403 C406 | E365-Y378 WeakPolarHBondContact CA-O 3.39Å; E365-R379 HydrophobicContact CG-CG 4.38Å; E365-L402 HydrophobicContact CB-CB 4.1Å; E365-L402 HydrophobicContact CB-CD1 4.19Å; E365-L402 PolarHBondContact O-N 3.29Å; E365-V403 HydrophobicContact CB-CG2 4.15Å; E365-V403 HydrophobicContact CG-CG2 4.36Å; E365-C406 PolarHBondContact N-SG 3.14Å; E365-C406 PolarHBondContact O-SG 2.89Å; E365-C406 VanDerWaalsContact O-SG 3.36Å | ||
| 366 | V | 89.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 137.4 | -174.6 | 179 | 0 | 0 | 0 | 0 | 109.5 | I361 E377 Y378 M399 R400 T401 F408 | I361-V366 HydrophobicContact CD1-CB 4.16Å; I361-V366 HydrophobicContact CD1-CG2 3.94Å; V366-E377 CarbonylContact O-C 3.44Å; V366-E377 VanDerWaalsContact O-CA 3.25Å; V366-E377 WeakPolarHBondContact O-CA 3.05Å; V366-Y378 PolarHBondContact N-O 3.37Å; V366-Y378 PolarHBondContact O-N 2.84Å; V366-M399 HydrophobicContact CG1-CE 4.21Å; V366-M399 HydrophobicContact CG1-CG 3.12Å; V366-M399 HydrophobicContact CG1-SD 3.56Å; V366-M399 VanDerWaalsContact CG1-SD 3.56Å; V366-R400 CarbonylContact C-O 3.56Å; V366-R400 WeakPolarHBondContact CA-O 3.24Å; V366-R400 WeakPolarHBondContact CG1-O 3.21Å; V366-T401 HydrophobicContact CG2-CG2 4.43Å; V366-F408 HydrophobicContact CG2-CE1 3.65Å; V366-F408 HydrophobicContact CG2-CZ 3.58Å |
| 367 | E | 92.8 | Very high | 86.3 | Confident | 26 Ų | 26 | 37 Ų | 37 | 12% | 0.121 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 149.1 | 168.9 | 64.5 | 173.4 | 179.4 | 0 | 0 | 111.2 | R375 C376 E377 M399 R400 L402 | E367-R375 IonicContact OE2-NH1 3.47Å; E367-C376 CarbonylContact C-O 3.43Å; E367-C376 WeakPolarHBondContact CA-O 3.3Å; E367-E377 HydrophobicContact CB-CG 4.2Å; E367-M399 CarbonylContact O-C 3.6Å; E367-M399 VanDerWaalsContact O-CA 3.24Å; E367-M399 WeakPolarHBondContact O-CA 3.49Å; E367-R400 HydrophobicContact CG-CB 4.12Å; E367-R400 PolarHBondContact N-O 3.38Å; E367-R400 PolarHBondContact O-N 3.4Å; E367-L402 HydrophobicContact CB-CD1 4.19Å; E367-L402 HydrophobicContact CB-CD2 4.09Å; E367-L402 HydrophobicContact CB-CG 4.13Å; E367-L402 HydrophobicContact CG-CD2 3.71Å; E367-L402 HydrophobicContact CG-CG 4.11Å |
| 368 | V | 89.7 | Confident | 86 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.7 | 171.5 | 177.4 | 0 | 0 | 0 | 0 | 108 | M370 R375 C376 Y378 C396 E398 M399 | V368-M370 HydrophobicContact CG1-SD 4.18Å; V368-R375 CarbonylContact O-C 3.53Å; V368-R375 WeakPolarHBondContact O-CA 3.45Å; V368-C376 HydrophobicContact CB-CB 4.34Å; V368-C376 PolarHBondContact N-O 3.01Å; V368-C376 PolarHBondContact O-N 2.84Å; V368-Y378 HydrophobicContact CB-CE2 4.28Å; V368-Y378 HydrophobicContact CG2-CD2 3.95Å; V368-Y378 HydrophobicContact CG2-CE2 3.51Å; V368-C396 WeakPolarHBondContact CG1-O 3.18Å; V368-E398 WeakPolarHBondContact CA-O 3.46Å; V368-M399 HydrophobicContact CG2-CB 3.88Å; V368-M399 HydrophobicContact CG2-CE 3.26Å; V368-M399 HydrophobicContact CG2-CG 3.77Å; V368-M399 HydrophobicContact CG2-SD 4.38Å |
| 369 | I | 89.6 | Confident | 85.7 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 103.2 | 179.2 | -54.2 | 173.3 | 0 | 0 | 0 | 108.4 | S374 R375 G397 E398 | I369-S374 CarbonylContact C-O 3.5Å; I369-R375 HydrophobicContact CB-CG 4.3Å; I369-R375 HydrophobicContact CG1-CG 3.92Å; I369-R375 HydrophobicContact CG2-CG 4.17Å; I369-G397 CarbonylContact O-C 3.51Å; I369-G397 WeakPolarHBondContact O-CA 3.5Å; I369-E398 PolarHBondContact N-O 3.43Å; I369-E398 PolarHBondContact O-N 3.12Å |
| 370 | M | 85 | Confident | 85.2 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | trans | -65.3 | 157.5 | 177.8 | -59.2 | -64.2 | -73.2 | 0 | 0 | 111.9 | V368 D372 G373 S374 C396 | V368-M370 HydrophobicContact CG1-SD 4.18Å; M370-D372 WeakPolarHBondContact CB-OD1 3.44Å; M370-D372 PolarHBondContact O-N 3.49Å; M370-G373 PolarHBondContact O-N 3.01Å; M370-S374 WeakPolarHBondContact CA-O 3.35Å; M370-S374 VanDerWaalsContact CB-O 3.29Å; M370-S374 WeakPolarHBondContact CB-O 3.34Å; M370-S374 VanDerWaalsContact CB-OG 3.23Å; M370-S374 WeakPolarHBondContact CB-OG 3.44Å; M370-S374 VanDerWaalsContact CG-OG 3.28Å; M370-S374 WeakPolarHBondContact CG-OG 3.49Å; M370-S374 PolarHBondContact N-O 3.43Å; M370-C396 HydrophobicContact CE-CB 4.1Å; M370-C396 WeakPolarHBondContact CE-SG 3.23Å | ||
| 371 | P | 81.3 | Confident | 84.4 | Confident | 88 Ų | 88 | 47.5 Ų | 47.5 | 57% | 0.571 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26 | -179.1 | -23.8 | 34.7 | 0 | 0 | 0 | 114.9 | H351 G373 | H351-P371 WeakPolarHBondContact CE1-CG 3.19Å; H351-P371 WeakPolarHBondContact ND1-CG 3.28Å; P371-G373 PolarHBondContact O-N 2.97Å |
| 372 | D | 84 | Confident | 84.2 | Confident | 128 Ų | 128 | 50 Ų | 50 | 68% | 0.684 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 0.2 | 175.3 | 66.8 | -8.5 | 0 | 0 | 0 | 112.9 | M370 S374 | M370-D372 WeakPolarHBondContact CB-OD1 3.44Å; M370-D372 PolarHBondContact O-N 3.49Å; D372-S374 VanDerWaalsContact C-N 3.32Å; D372-S374 VanDerWaalsContact OD1-CB 3.26Å; D372-S374 WeakPolarHBondContact OD1-CB 3.11Å; D372-S374 PolarHBondContact OD1-N 3.35Å; D372-S374 PolarHBondContact OD1-OG 3.29Å; D372-S374 PolarHBondContact OD2-OG 2.88Å |
| 373 | G | 81.3 | Confident | 84.2 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 86 | -3.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | M370 P371 | M370-G373 PolarHBondContact O-N 3.01Å; P371-G373 PolarHBondContact O-N 2.97Å |
| 374 | S | 75.4 | Confident | 84.5 | Confident | 32 Ų | 32 | 49.4 Ų | 49.4 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | trans | -68.9 | 149.6 | 171.7 | 69.4 | 0 | 0 | 0 | 0 | 110.5 | N110 I369 M370 D372 | N110-S374 VanDerWaalsContact ND2-CA 3.33Å; N110-S374 WeakPolarHBondContact ND2-CA 3.29Å; N110-S374 WeakPolarHBondContact ND2-CB 3.41Å; I369-S374 CarbonylContact C-O 3.5Å; M370-S374 WeakPolarHBondContact CA-O 3.35Å; M370-S374 VanDerWaalsContact CB-O 3.29Å; M370-S374 WeakPolarHBondContact CB-O 3.34Å; M370-S374 VanDerWaalsContact CB-OG 3.23Å; M370-S374 WeakPolarHBondContact CB-OG 3.44Å; M370-S374 VanDerWaalsContact CG-OG 3.28Å; M370-S374 WeakPolarHBondContact CG-OG 3.49Å; M370-S374 PolarHBondContact N-O 3.43Å; D372-S374 VanDerWaalsContact C-N 3.32Å; D372-S374 VanDerWaalsContact OD1-CB 3.26Å; D372-S374 WeakPolarHBondContact OD1-CB 3.11Å; D372-S374 PolarHBondContact OD1-N 3.35Å; D372-S374 PolarHBondContact OD1-OG 3.29Å; D372-S374 PolarHBondContact OD2-OG 2.88Å | ||
| 375 | R | 81.1 | Confident | 84.5 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 32% | 0.321 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132.4 | -179.7 | -44.8 | 177.7 | -175.5 | -177.3 | 16.9 | 109.8 | A109 N110 K114 E367 V368 I369 | A109-R375 HydrophobicContact CB-CB 4.13Å; A109-R375 HydrophobicContact CB-CG 4.21Å; A109-R375 VanDerWaalsContact O-CZ 3.25Å; A109-R375 PolarHBondContact O-NE 3.42Å; A109-R375 PolarHBondContact O-NH2 2.87Å; N110-R375 PolarHBondContact ND2-N 3.33Å; N110-R375 PolarHBondContact ND2-O 3.21Å; N110-R375 VanDerWaalsContact OD1-CA 3.24Å; N110-R375 WeakPolarHBondContact OD1-CA 3.16Å; N110-R375 WeakPolarHBondContact OD1-CB 3.18Å; N110-R375 PolarHBondContact OD1-N 2.87Å; N110-R375 PolarHBondContact OD1-O 3.36Å; N110-R375 VanDerWaalsContact OD1-O 3.06Å; K114-R375 WeakPolarHBondContact CE-O 3.31Å; E367-R375 IonicContact OE2-NH1 3.47Å; V368-R375 CarbonylContact O-C 3.53Å; V368-R375 WeakPolarHBondContact O-CA 3.45Å; I369-R375 HydrophobicContact CB-CG 4.3Å; I369-R375 HydrophobicContact CG1-CG 3.92Å; I369-R375 HydrophobicContact CG2-CG 4.17Å |
| 376 | C | 79.1 | Confident | 84.4 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 32% | 0.324 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 145.2 | 176 | -65.3 | 0 | 0 | 0 | 0 | 108.3 | E367 V368 Y378 | E367-C376 CarbonylContact C-O 3.43Å; E367-C376 WeakPolarHBondContact CA-O 3.3Å; V368-C376 HydrophobicContact CB-CB 4.34Å; V368-C376 PolarHBondContact N-O 3.01Å; V368-C376 PolarHBondContact O-N 2.84Å; C376-Y378 HydrophobicContact CB-CE2 4.35Å |
| 377 | E | 85.3 | Confident | 84.1 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 16% | 0.159 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 141.7 | 174 | -80.1 | 157.6 | -128.8 | 0 | 0 | 109.4 | K114 V366 E367 R379 L402 | K114-E377 VanDerWaalsContact NZ-N 3.13Å; K114-E377 IonicContact NZ-OE1 2.68Å; K114-E377 PolarHBondContact NZ-OE1 3.37Å; K114-E377 IonicContact NZ-OE2 3.28Å; V366-E377 CarbonylContact O-C 3.44Å; V366-E377 VanDerWaalsContact O-CA 3.25Å; V366-E377 WeakPolarHBondContact O-CA 3.05Å; E367-E377 HydrophobicContact CB-CG 4.2Å; E377-R379 IonicContact OE2-CZ 3.13Å; E377-R379 IonicContact OE2-NH2 3.13Å; E377-R379 PolarHBondContact OE2-NH2 3.36Å; E377-L402 HydrophobicContact CG-CD1 3.95Å |
| 378 | Y | 83.7 | Confident | 83.3 | Confident | 66 Ų | 66 | 53.9 Ų | 53.9 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133 | 173.6 | -63.5 | -93.1 | 0 | 0 | 0 | 108.2 | E365 V366 V368 C376 D382 F384 M399 | E365-Y378 WeakPolarHBondContact CA-O 3.39Å; V366-Y378 PolarHBondContact N-O 3.37Å; V366-Y378 PolarHBondContact O-N 2.84Å; V368-Y378 HydrophobicContact CB-CE2 4.28Å; V368-Y378 HydrophobicContact CG2-CD2 3.95Å; V368-Y378 HydrophobicContact CG2-CE2 3.51Å; C376-Y378 HydrophobicContact CB-CE2 4.35Å; Y378-D382 HydrophobicContact CD1-CB 4.03Å; Y378-F384 HydrophobicContact CD1-CB 4.33Å; Y378-F384 HydrophobicContact CD1-CD1 4.36Å; Y378-F384 HydrophobicContact CE1-CB 3.98Å; Y378-F384 HydrophobicContact CG-CD1 4.44Å; Y378-M399 HydrophobicContact CD2-CE 4.3Å; Y378-M399 HydrophobicContact CE2-CE 4.24Å |
| 379 | R | 85.4 | Confident | 82.6 | Confident | 101 Ų | 101 | 56.7 Ų | 56.7 | 38% | 0.381 | 31% | 0.308 | S | S | . | . | trans | -116.9 | 177.1 | -179.9 | -62.2 | -169.9 | -178.3 | 100.3 | 8.3 | 110.6 | E365 E377 G381 D382 | E365-R379 HydrophobicContact CG-CG 4.38Å; E377-R379 IonicContact OE2-CZ 3.13Å; E377-R379 IonicContact OE2-NH2 3.13Å; E377-R379 PolarHBondContact OE2-NH2 3.36Å; R379-G381 PolarHBondContact O-N 3.35Å; R379-G381 VanDerWaalsContact O-N 3.17Å; R379-D382 PolarHBondContact N-OD2 3.1Å; R379-D382 WeakPolarHBondContact O-CB 3.02Å; R379-D382 PolarHBondContact O-N 3.12Å | ||
| 380 | L | 82.2 | Confident | 82.1 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.2 | 120.5 | 172.7 | -179.3 | 70 | 0 | 0 | 0 | 112.3 | M318 I362 | M318-L380 HydrophobicContact CE-CD1 3.73Å; M318-L380 HydrophobicContact CE-CG 4.16Å; I362-L380 WeakPolarHBondContact O-CD1 3.27Å |
| 381 | G | 74.6 | Confident | 82 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -9.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A320 I361 R379 | A320-G381 WeakPolarHBondContact CB-O 3.4Å; A320-G381 PolarHBondContact N-O 2.99Å; I361-G381 PolarHBondContact O-N 3.06Å; R379-G381 PolarHBondContact O-N 3.35Å; R379-G381 VanDerWaalsContact O-N 3.17Å |
| 382 | D | 83.1 | Confident | 82.3 | Confident | 51 Ų | 51 | 60.9 Ų | 60.9 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | trans | -76.1 | 149.8 | 174.2 | -62.7 | -27.4 | 0 | 0 | 0 | 110.9 | V360 I361 Y378 R379 | V360-D382 WeakPolarHBondContact CA-O 3.07Å; I361-D382 PolarHBondContact N-O 2.8Å; Y378-D382 HydrophobicContact CD1-CB 4.03Å; R379-D382 PolarHBondContact N-OD2 3.1Å; R379-D382 WeakPolarHBondContact O-CB 3.02Å; R379-D382 PolarHBondContact O-N 3.12Å | ||
| 383 | C | 86.6 | Confident | 82.4 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 34% | 0.338 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 149.8 | 173.7 | 65 | 0 | 0 | 0 | 0 | 112.4 | A320 W358 S359 V360 | A320-C383 HydrophobicContact CB-CB 3.7Å; W358-C383 HydrophobicContact CZ2-CB 3.71Å; S359-C383 CarbonylContact O-C 3.48Å; S359-C383 WeakPolarHBondContact O-CA 3.47Å; S359-C383 WeakPolarHBondContact O-CB 3.25Å; V360-C383 HydrophobicContact CG2-CB 3.91Å |
| 384 | F | 89.2 | Confident | 82.7 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 9% | 0.088 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 179.8 | 175.6 | 60.6 | -95.9 | 0 | 0 | 0 | 109.9 | M349 S359 I361 Y378 M399 F408 | M349-F384 HydrophobicContact CE-CD2 3.51Å; M349-F384 HydrophobicContact CE-CE2 3.6Å; S359-F384 PolarHBondContact N-O 3.43Å; S359-F384 PolarHBondContact O-N 3.42Å; I361-F384 HydrophobicContact CD1-CE1 4.05Å; I361-F384 HydrophobicContact CG1-CD1 4.33Å; I361-F384 HydrophobicContact CG1-CE1 3.71Å; Y378-F384 HydrophobicContact CD1-CB 4.33Å; Y378-F384 HydrophobicContact CD1-CD1 4.36Å; Y378-F384 HydrophobicContact CE1-CB 3.98Å; Y378-F384 HydrophobicContact CG-CD1 4.44Å; F384-M399 HydrophobicContact CB-CE 4.33Å; F384-M399 HydrophobicContact CD1-CE 4.2Å; F384-M399 HydrophobicContact CD2-CE 3.67Å; F384-M399 HydrophobicContact CD2-SD 4.11Å; F384-M399 HydrophobicContact CE1-CE 4.43Å; F384-M399 HydrophobicContact CE1-SD 4.46Å; F384-M399 HydrophobicContact CE2-CE 3.94Å; F384-M399 HydrophobicContact CE2-SD 3.73Å; F384-M399 HydrophobicContact CG-CE 3.81Å; F384-M399 HydrophobicContact CZ-CE 4.31Å; F384-M399 HydrophobicContact CZ-SD 3.92Å; F384-F408 HydrophobicContact CE1-CD1 4.05Å; F384-F408 HydrophobicContact CE1-CE1 4.01Å; F384-F408 AromaticContact CZ-CD1 3.81Å; F384-F408 HydrophobicContact CZ-CD1 3.81Å; F384-F408 AromaticContact CZ-CE1 3.85Å; F384-F408 HydrophobicContact CZ-CE1 3.85Å |
| 385 | G | 87.7 | Confident | 83.3 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.7 | -144.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S357 | S357-G385 WeakPolarHBondContact O-CA 3.25Å |
| 386 | V | 87.2 | Confident | 83.5 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | trans | -68.3 | 137.7 | -174.1 | -60.1 | 0 | 0 | 0 | 0 | 113 | L355 S357 W358 Q413 Y416 | L355-V386 HydrophobicContact CB-CG1 3.48Å; L355-V386 VanDerWaalsContact CB-CG1 3.48Å; L355-V386 WeakPolarHBondContact O-CG1 3.07Å; S357-V386 PolarHBondContact O-N 3.11Å; W358-V386 HydrophobicContact CB-CG2 3.89Å; V386-Q413 HydrophobicContact CB-CG 4.15Å; V386-Q413 HydrophobicContact CG1-CB 4.08Å; V386-Q413 HydrophobicContact CG1-CG 3.98Å; V386-Q413 HydrophobicContact CG2-CB 4.05Å; V386-Q413 HydrophobicContact CG2-CG 4.01Å; V386-Y416 HydrophobicContact CG2-CD1 3.96Å | ||
| 387 | E | 81.1 | Confident | 83.9 | Confident | 119 Ų | 119 | 56.4 Ų | 56.4 | 56% | 0.556 | 31% | 0.305 | S | S | * | . | trans | -73.3 | 156.6 | 159.6 | -65.8 | -170.2 | 167.4 | 0 | 0 | 110.1 | I389 Q393 | E387-I389 HydrophobicContact CB-CD1 4.16Å; E387-I389 HydrophobicContact CB-CG1 4.3Å; E387-I389 PolarHBondContact O-N 3.45Å; E387-Q393 PolarHBondContact O-NE2 3.44Å | ||
| 388 | P | 77.4 | Confident | 84.2 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 41% | 0.409 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -74.9 | 58.3 | -175.5 | 32.6 | -37.3 | 0 | 0 | 0 | 112.6 | Y416 M420 | P388-Y416 HydrophobicContact CB-CD1 4.24Å; P388-Y416 HydrophobicContact CB-CE1 3.79Å; P388-Y416 HydrophobicContact CG-CE1 4.39Å; P388-M420 HydrophobicContact CB-CB 3.61Å; P388-M420 HydrophobicContact CB-CE 4.32Å; P388-M420 HydrophobicContact CB-CG 3.87Å; P388-M420 HydrophobicContact CG-CE 4.33Å |
| 389 | I | 74.3 | Confident | 84.6 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 32% | 0.323 | 30% | 0.297 | S | S | . | . | trans | -130.9 | 138.3 | -175.1 | -56.4 | 174.9 | 0 | 0 | 0 | 107.6 | E387 E391 Q413 V417 | E387-I389 HydrophobicContact CB-CD1 4.16Å; E387-I389 HydrophobicContact CB-CG1 4.3Å; E387-I389 PolarHBondContact O-N 3.45Å; I389-E391 VanDerWaalsContact C-N 3.31Å; I389-E391 HydrophobicContact CG2-CB 4.18Å; I389-E391 HydrophobicContact CG2-CG 4.49Å; I389-E391 WeakPolarHBondContact CG2-OE2 3.35Å; I389-E391 PolarHBondContact O-N 3.25Å; I389-Q413 PolarHBondContact O-NE2 3.39Å; I389-V417 WeakPolarHBondContact O-CG2 3.19Å | ||
| 390 | A | 79.4 | Confident | 84.9 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 63% | 0.628 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -74.6 | -20.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V417 | A390-V417 HydrophobicContact CB-CG1 4.39Š|
| 391 | E | 83 | Confident | 85.4 | Confident | 134 Ų | 134 | 48.6 Ų | 48.6 | 63% | 0.626 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -66 | 146.1 | 176.3 | -66.6 | 85 | -124.7 | 0 | 0 | 111.8 | I389 Q393 Q413 | I389-E391 VanDerWaalsContact C-N 3.31Å; I389-E391 HydrophobicContact CG2-CB 4.18Å; I389-E391 HydrophobicContact CG2-CG 4.49Å; I389-E391 WeakPolarHBondContact CG2-OE2 3.35Å; I389-E391 PolarHBondContact O-N 3.25Å; E391-Q393 PolarHBondContact O-N 3.13Å; E391-Q413 PolarHBondContact O-NE2 3.41Å; E391-Q413 VanDerWaalsContact O-NE2 3.07Å |
| 392 | A | 86.4 | Confident | 86.2 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | trans | -65.2 | 128.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F394 | A392-F394 HydrophobicContact CB-CE2 4.48Š| ||
| 393 | Q | 86.1 | Confident | 86.4 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 154 | -178.9 | -66.5 | 168.9 | 52.6 | 0 | 0 | 109.8 | Q354 L355 E387 E391 | Q354-Q393 WeakPolarHBondContact CA-O 3.1Å; L355-Q393 HydrophobicContact CB-CB 4.32Å; L355-Q393 HydrophobicContact CD1-CB 4.14Å; L355-Q393 PolarHBondContact N-O 3.46Å; E387-Q393 PolarHBondContact O-NE2 3.44Å; E391-Q393 PolarHBondContact O-N 3.13Å |
| 394 | F | 88.6 | Confident | 86.5 | Confident | 126 Ų | 126 | 54.3 Ų | 54.3 | 55% | 0.553 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 139 | -177 | -60.9 | -88.4 | 0 | 0 | 0 | 110.5 | G352 E353 Q354 A392 C396 | G352-F394 WeakPolarHBondContact O-CD1 3.34Å; E353-F394 CarbonylContact O-C 3.42Å; E353-F394 VanDerWaalsContact O-CA 3.27Å; E353-F394 WeakPolarHBondContact O-CA 3.4Å; Q354-F394 HydrophobicContact CB-CD1 3.98Å; Q354-F394 HydrophobicContact CB-CE1 3.82Å; Q354-F394 HydrophobicContact CG-CE1 4.19Å; A392-F394 HydrophobicContact CB-CE2 4.48Å; F394-C396 PolarHBondContact O-N 2.95Å |
| 395 | H | 89.1 | Confident | 86.4 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | trans | -68.3 | 130.5 | -179.3 | -174 | 54.7 | 0 | 0 | 0 | 110.8 | M349 G352 E353 L355 G397 | M349-H395 HydrophobicContact CB-CB 4.48Å; M349-H395 HydrophobicContact SD-CB 4.45Å; G352-H395 PolarHBondContact N-O 2.81Å; E353-H395 PolarHBondContact O-N 3.03Å; L355-H395 HydrophobicContact CD2-CB 3.78Å; L355-H395 HydrophobicContact CG-CB 4.2Å; H395-G397 PolarHBondContact CD2-O 2.84Å; H395-G397 PolarHBondContact NE2-O 2.79Å | ||
| 396 | C | 84.2 | Confident | 86.4 | Confident | 62 Ų | 62 | 56.7 Ų | 56.7 | 42% | 0.419 | 31% | 0.308 | S | S | . | . | trans | -100 | 110.3 | 173.4 | -165.6 | 0 | 0 | 0 | 0 | 110 | V368 M370 F394 | V368-C396 WeakPolarHBondContact CG1-O 3.18Å; M370-C396 HydrophobicContact CE-CB 4.1Å; M370-C396 WeakPolarHBondContact CE-SG 3.23Å; F394-C396 PolarHBondContact O-N 2.95Å | ||
| 397 | G | 88.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 111 | 174.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K350 H351 I369 H395 | K350-G397 CarbonylContact C-O 3.32Å; H351-G397 WeakPolarHBondContact CA-O 3.37Å; H351-G397 WeakPolarHBondContact CB-O 3.39Å; H351-G397 PolarHBondContact N-O 2.68Å; H351-G397 PolarHBondContact ND1-N 2.84Å; H351-G397 VanDerWaalsContact ND1-N 3.14Å; I369-G397 CarbonylContact O-C 3.51Å; I369-G397 WeakPolarHBondContact O-CA 3.5Å; H395-G397 PolarHBondContact CD2-O 2.84Å; H395-G397 PolarHBondContact NE2-O 2.79Å |
| 398 | E | 90.2 | Very high | 87.1 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 113 | 173.9 | -170.5 | -175.4 | -169.5 | 0 | 0 | 109.5 | I347 V368 I369 R400 | I347-E398 WeakPolarHBondContact CD1-OE1 3.29Å; I347-E398 HydrophobicContact CG1-CG 4.39Å; I347-E398 VanDerWaalsContact CG1-OE1 3.28Å; I347-E398 WeakPolarHBondContact CG1-OE1 3.36Å; I347-E398 HydrophobicContact CG2-CG 3.87Å; V368-E398 WeakPolarHBondContact CA-O 3.46Å; I369-E398 PolarHBondContact N-O 3.43Å; I369-E398 PolarHBondContact O-N 3.12Å; E398-R400 IonicContact OE1-CZ 3.43Å; E398-R400 VanDerWaalsContact OE1-CZ 3.28Å; E398-R400 IonicContact OE1-NE 3.32Å; E398-R400 PolarHBondContact OE1-NE 2.88Å; E398-R400 IonicContact OE1-NH2 2.73Å; E398-R400 PolarHBondContact OE1-NH2 3.35Å; E398-R400 IonicContact OE2-CZ 2.73Å; E398-R400 IonicContact OE2-NE 3.84Å; E398-R400 PolarHBondContact OE2-NE 3.35Å; E398-R400 IonicContact OE2-NH2 3.81Å; E398-R400 PolarHBondContact OE2-NH2 3.03Å |
| 399 | M | 93.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.2 | -178.3 | -173.8 | 176.4 | -82.9 | 0 | 0 | 111.5 | I347 V348 M349 V366 E367 V368 Y378 F384 | I347-M399 CarbonylContact C-O 3.37Å; I347-M399 VanDerWaalsContact CA-O 3.23Å; I347-M399 WeakPolarHBondContact CA-O 3.43Å; V348-M399 HydrophobicContact CB-CG 4.21Å; V348-M399 HydrophobicContact CB-SD 4.25Å; V348-M399 HydrophobicContact CG1-SD 4.43Å; V348-M399 PolarHBondContact N-O 3.47Å; M349-M399 HydrophobicContact CB-CB 3.99Å; M349-M399 HydrophobicContact CE-CB 4.38Å; M349-M399 HydrophobicContact CE-CE 3.31Å; M349-M399 HydrophobicContact CE-CG 4.45Å; M349-M399 HydrophobicContact CE-SD 3.24Å; M349-M399 WeakPolarHBondContact CE-SD 3.41Å; M349-M399 PolarHBondContact N-O 2.96Å; M349-M399 PolarHBondContact O-N 3.1Å; V366-M399 HydrophobicContact CG1-CE 4.21Å; V366-M399 HydrophobicContact CG1-CG 3.12Å; V366-M399 HydrophobicContact CG1-SD 3.56Å; V366-M399 VanDerWaalsContact CG1-SD 3.56Å; E367-M399 CarbonylContact O-C 3.6Å; E367-M399 VanDerWaalsContact O-CA 3.24Å; E367-M399 WeakPolarHBondContact O-CA 3.49Å; V368-M399 HydrophobicContact CG2-CB 3.88Å; V368-M399 HydrophobicContact CG2-CE 3.26Å; V368-M399 HydrophobicContact CG2-CG 3.77Å; V368-M399 HydrophobicContact CG2-SD 4.38Å; Y378-M399 HydrophobicContact CD2-CE 4.3Å; Y378-M399 HydrophobicContact CE2-CE 4.24Å; F384-M399 HydrophobicContact CB-CE 4.33Å; F384-M399 HydrophobicContact CD1-CE 4.2Å; F384-M399 HydrophobicContact CD2-CE 3.67Å; F384-M399 HydrophobicContact CD2-SD 4.11Å; F384-M399 HydrophobicContact CE1-CE 4.43Å; F384-M399 HydrophobicContact CE1-SD 4.46Å; F384-M399 HydrophobicContact CE2-CE 3.94Å; F384-M399 HydrophobicContact CE2-SD 3.73Å; F384-M399 HydrophobicContact CG-CE 3.81Å; F384-M399 HydrophobicContact CZ-CE 4.31Å; F384-M399 HydrophobicContact CZ-SD 3.92Å |
| 400 | R | 91.7 | Very high | 88.7 | Confident | 70 Ų | 70 | 48.7 Ų | 48.7 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 138.7 | -179 | -61 | 177.2 | -178.3 | -119.1 | 2.3 | 111.6 | T346 I347 V366 E367 E398 | T346-R400 CarbonylContact O-C 3.55Å; T346-R400 VanDerWaalsContact O-CA 3.27Å; T346-R400 WeakPolarHBondContact O-CA 3.44Å; I347-R400 HydrophobicContact CB-CG 4.47Å; I347-R400 HydrophobicContact CG1-CG 3.82Å; V366-R400 CarbonylContact C-O 3.56Å; V366-R400 WeakPolarHBondContact CA-O 3.24Å; V366-R400 WeakPolarHBondContact CG1-O 3.21Å; E367-R400 HydrophobicContact CG-CB 4.12Å; E367-R400 PolarHBondContact N-O 3.38Å; E367-R400 PolarHBondContact O-N 3.4Å; E398-R400 IonicContact OE1-CZ 3.43Å; E398-R400 VanDerWaalsContact OE1-CZ 3.28Å; E398-R400 IonicContact OE1-NE 3.32Å; E398-R400 PolarHBondContact OE1-NE 2.88Å; E398-R400 IonicContact OE1-NH2 2.73Å; E398-R400 PolarHBondContact OE1-NH2 3.35Å; E398-R400 IonicContact OE2-CZ 2.73Å; E398-R400 IonicContact OE2-NE 3.84Å; E398-R400 PolarHBondContact OE2-NE 3.35Å; E398-R400 IonicContact OE2-NH2 3.81Å; E398-R400 PolarHBondContact OE2-NH2 3.03Å |
| 401 | T | 92.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 141.2 | 170.1 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | V341 K343 A344 A345 T346 V348 V366 C406 F408 | V341-T401 HydrophobicContact CB-CG2 4.04Å; V341-T401 HydrophobicContact CG1-CG2 3.69Å; K343-T401 PolarHBondContact O-OG1 2.87Å; A344-T401 WeakPolarHBondContact CA-OG1 3.45Å; A345-T401 WeakPolarHBondContact CA-O 3.14Å; A345-T401 PolarHBondContact N-O 2.63Å; A345-T401 PolarHBondContact N-OG1 3.33Å; T346-T401 PolarHBondContact N-OG1 3.13Å; T346-T401 PolarHBondContact O-N 2.66Å; V348-T401 HydrophobicContact CG2-CG2 3.61Å; V366-T401 HydrophobicContact CG2-CG2 4.43Å; T401-C406 HydrophobicContact CG2-CB 3.74Å; T401-F408 HydrophobicContact CG2-CZ 4.31Å |
| 402 | L | 90.3 | Very high | 89.7 | Confident | 61 Ų | 61 | 41.1 Ų | 41.1 | 32% | 0.319 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -96.2 | -26.9 | 175.6 | -72.6 | 175.7 | 0 | 0 | 0 | 112.6 | E365 E367 E377 | E365-L402 HydrophobicContact CB-CB 4.1Å; E365-L402 HydrophobicContact CB-CD1 4.19Å; E365-L402 PolarHBondContact O-N 3.29Å; E367-L402 HydrophobicContact CB-CD1 4.19Å; E367-L402 HydrophobicContact CB-CD2 4.09Å; E367-L402 HydrophobicContact CB-CG 4.13Å; E367-L402 HydrophobicContact CG-CD2 3.71Å; E367-L402 HydrophobicContact CG-CG 4.11Å; E377-L402 HydrophobicContact CG-CD1 3.95Å |
| 403 | V | 87.8 | Confident | 89.9 | Confident | 66 Ų | 66 | 39.7 Ų | 39.7 | 40% | 0.4 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -122.1 | 154.1 | -175.1 | -167.5 | 0 | 0 | 0 | 0 | 109.3 | E365 C406 | E365-V403 HydrophobicContact CB-CG2 4.15Å; E365-V403 HydrophobicContact CG-CG2 4.36Å; V403-C406 PolarHBondContact O-SG 2.78Å |
| 404 | D | 87.9 | Confident | 90 | Very high | 95 Ų | 95 | 46.1 Ų | 46.1 | 51% | 0.508 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 158.7 | 167.9 | -63.8 | -42.8 | 0 | 0 | 0 | 110 | D342 K343 A344 C406 | D342-D404 WeakPolarHBondContact O-CA 3.33Å; D342-D404 WeakPolarHBondContact O-CB 3.13Å; K343-D404 WeakPolarHBondContact CA-OD1 3.41Å; A344-D404 WeakPolarHBondContact CB-OD1 2.99Å; A344-D404 PolarHBondContact N-OD1 3.31Å; D404-C406 VanDerWaalsContact C-N 3.31Å; D404-C406 PolarHBondContact O-N 2.7Å |
| 405 | D | 87.3 | Confident | 90.1 | Very high | 90 Ų | 90 | 42.5 Ų | 42.5 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 40.7 | 179.4 | -57.6 | -39.8 | 0 | 0 | 0 | 114.7 | V341 D342 Q407 | V341-D405 WeakPolarHBondContact O-CA 3.33Å; V341-D405 PolarHBondContact O-N 3.18Å; D342-D405 PolarHBondContact O-N 3.32Å; D405-Q407 PolarHBondContact O-N 3.18Å |
| 406 | C | 89 | Confident | 90.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 132.3 | 172.1 | -78.2 | 0 | 0 | 0 | 0 | 110.3 | V340 V341 N363 E365 T401 V403 D404 F408 | V340-C406 CarbonylContact C-O 3.55Å; V340-C406 WeakPolarHBondContact CA-O 3.06Å; V341-C406 HydrophobicContact CB-CB 4.36Å; V341-C406 PolarHBondContact N-O 3.09Å; V341-C406 PolarHBondContact O-N 3.15Å; N363-C406 CarbonylContact O-C 3.34Å; N363-C406 WeakPolarHBondContact O-CA 3.31Å; E365-C406 PolarHBondContact N-SG 3.14Å; E365-C406 PolarHBondContact O-SG 2.89Å; E365-C406 VanDerWaalsContact O-SG 3.36Å; T401-C406 HydrophobicContact CG2-CB 3.74Å; V403-C406 PolarHBondContact O-SG 2.78Å; D404-C406 VanDerWaalsContact C-N 3.31Å; D404-C406 PolarHBondContact O-N 2.7Å; C406-F408 HydrophobicContact CB-CE2 3.74Å; C406-F408 HydrophobicContact CB-CZ 3.82Å |
| 407 | Q | 91 | Very high | 90.1 | Very high | 30 Ų | 30 | 41 Ų | 41 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.8 | -175.7 | -60.8 | 170 | 13.1 | 0 | 0 | 111 | F338 A339 V340 I362 N363 D405 | F338-Q407 HydrophobicContact CE2-CB 3.85Å; F338-Q407 HydrophobicContact CE2-CG 4.13Å; F338-Q407 HydrophobicContact CZ-CB 4.29Å; F338-Q407 HydrophobicContact CZ-CG 4.05Å; A339-Q407 WeakPolarHBondContact O-CA 3.32Å; V340-Q407 HydrophobicContact CG1-CG 4.24Å; V340-Q407 HydrophobicContact CG2-CG 4.17Å; I362-Q407 HydrophobicContact CD1-CB 4.12Å; I362-Q407 HydrophobicContact CG1-CB 3.69Å; I362-Q407 WeakPolarHBondContact CG1-O 3.09Å; I362-Q407 PolarHBondContact N-O 3.07Å; N363-Q407 HydrophobicContact CB-CB 3.76Å; N363-Q407 HydrophobicContact CB-CG 3.92Å; N363-Q407 PolarHBondContact N-O 3.28Å; N363-Q407 PolarHBondContact O-N 3.19Å; D405-Q407 PolarHBondContact O-N 3.18Å |
| 408 | F | 91.8 | Very high | 89.9 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 152.3 | -174.2 | -53.1 | -85.2 | 0 | 0 | 0 | 110.8 | A339 V341 V360 I361 V366 F384 T401 C406 L410 | A339-F408 HydrophobicContact CB-CB 4.5Å; A339-F408 PolarHBondContact N-O 3.35Å; A339-F408 PolarHBondContact O-N 2.86Å; V341-F408 HydrophobicContact CB-CE2 4.22Å; V341-F408 HydrophobicContact CG2-CD2 4.22Å; V341-F408 HydrophobicContact CG2-CE2 3.7Å; V360-F408 CarbonylContact O-C 3.49Å; V360-F408 WeakPolarHBondContact O-CA 3.47Å; I361-F408 HydrophobicContact CD1-CE1 4.33Å; I361-F408 HydrophobicContact CG1-CD1 4.03Å; I361-F408 HydrophobicContact CG1-CE1 3.88Å; V366-F408 HydrophobicContact CG2-CE1 3.65Å; V366-F408 HydrophobicContact CG2-CZ 3.58Å; F384-F408 HydrophobicContact CE1-CD1 4.05Å; F384-F408 HydrophobicContact CE1-CE1 4.01Å; F384-F408 AromaticContact CZ-CD1 3.81Å; F384-F408 HydrophobicContact CZ-CD1 3.81Å; F384-F408 AromaticContact CZ-CE1 3.85Å; F384-F408 HydrophobicContact CZ-CE1 3.85Å; T401-F408 HydrophobicContact CG2-CZ 4.31Å; C406-F408 HydrophobicContact CB-CE2 3.74Å; C406-F408 HydrophobicContact CB-CZ 3.82Å; F408-L410 HydrophobicContact CB-CD1 4.04Å |
| 409 | V | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.9 | 169.4 | 172.8 | 0 | 0 | 0 | 0 | 107.2 | L296 M336 V337 S359 V360 I362 | L296-V409 HydrophobicContact CD1-CG2 4.07Å; L296-V409 HydrophobicContact CD2-CG2 4.14Å; M336-V409 HydrophobicContact CB-CG1 3.41Å; M336-V409 VanDerWaalsContact CB-CG1 3.41Å; M336-V409 HydrophobicContact CE-CG1 3.71Å; M336-V409 HydrophobicContact CG-CG1 3.68Å; M336-V409 HydrophobicContact SD-CG1 3.36Å; M336-V409 WeakPolarHBondContact SD-CG1 3.3Å; V337-V409 CarbonylContact O-C 3.22Å; V337-V409 VanDerWaalsContact O-CA 3.3Å; V337-V409 WeakPolarHBondContact O-CA 3.34Å; S359-V409 CarbonylContact C-O 3.36Å; S359-V409 WeakPolarHBondContact CA-O 3.38Å; V360-V409 PolarHBondContact N-O 2.98Å; V360-V409 PolarHBondContact O-N 3.41Å; I362-V409 HydrophobicContact CB-CG2 4.42Å; I362-V409 HydrophobicContact CD1-CG2 3.6Å; I362-V409 HydrophobicContact CG1-CG2 4.04Å; I362-V409 HydrophobicContact CG2-CB 4.25Å; I362-V409 HydrophobicContact CG2-CG2 3.56Å |
| 410 | L | 92.7 | Very high | 89 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 23% | 0.225 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.4 | -173.9 | -56.5 | 99.7 | 0 | 0 | 0 | 111.5 | M336 V337 A339 W358 S359 F408 | M336-L410 CarbonylContact C-O 3.49Å; M336-L410 VanDerWaalsContact CA-O 3.24Å; M336-L410 WeakPolarHBondContact CA-O 3.18Å; V337-L410 PolarHBondContact N-O 3.13Å; V337-L410 PolarHBondContact O-N 2.94Å; A339-L410 HydrophobicContact CB-CD1 3.39Å; W358-L410 CarbonylContact O-C 3.47Å; W358-L410 WeakPolarHBondContact O-CA 3.34Å; S359-L410 VanDerWaalsContact OG-CD2 3.23Å; S359-L410 WeakPolarHBondContact OG-CD2 3.49Å; F408-L410 HydrophobicContact CB-CD1 4.04Å |
| 411 | V | 91.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.8 | 170.5 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | L332 M336 S357 W358 D415 I419 | L332-V411 HydrophobicContact CD2-CB 4.47Å; L332-V411 HydrophobicContact CD2-CG1 4.17Å; L332-V411 HydrophobicContact CD2-CG2 4Å; M336-V411 HydrophobicContact CB-CG2 3.81Å; S357-V411 CarbonylContact C-O 3.34Å; S357-V411 VanDerWaalsContact CA-O 3.23Å; S357-V411 WeakPolarHBondContact CA-O 3.3Å; S357-V411 WeakPolarHBondContact CB-O 3.44Å; W358-V411 HydrophobicContact CE3-CB 4.27Å; W358-V411 HydrophobicContact CE3-CG2 4.04Å; W358-V411 HydrophobicContact CZ3-CG2 4.4Å; W358-V411 PolarHBondContact N-O 3.45Å; W358-V411 PolarHBondContact O-N 3.2Å; V411-D415 HydrophobicContact CG1-CB 3.98Å; V411-I419 HydrophobicContact CG1-CD1 4.41Å |
| 412 | A | 91.9 | Very high | 87.1 | Confident | 50 Ų | 50 | 47.1 Ų | 47.1 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 147.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E414 D415 Y416 | A412-E414 VanDerWaalsContact C-N 3.32Å; A412-E414 PolarHBondContact O-N 3.04Å; A412-D415 PolarHBondContact O-N 3.26Å; A412-Y416 WeakPolarHBondContact O-CB 3.32Å; A412-Y416 PolarHBondContact O-N 3.31Å |
| 413 | Q | 90.1 | Very high | 85.8 | Confident | 27 Ų | 27 | 45.3 Ų | 45.3 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.2 | -44.7 | -176.7 | -176.7 | -177.1 | 10.7 | 0 | 0 | 112.1 | D356 V386 I389 E391 D415 Y416 V417 | D356-Q413 WeakPolarHBondContact O-CB 3.41Å; D356-Q413 PolarHBondContact O-N 2.94Å; V386-Q413 HydrophobicContact CB-CG 4.15Å; V386-Q413 HydrophobicContact CG1-CB 4.08Å; V386-Q413 HydrophobicContact CG1-CG 3.98Å; V386-Q413 HydrophobicContact CG2-CB 4.05Å; V386-Q413 HydrophobicContact CG2-CG 4.01Å; I389-Q413 PolarHBondContact O-NE2 3.39Å; E391-Q413 PolarHBondContact O-NE2 3.41Å; E391-Q413 VanDerWaalsContact O-NE2 3.07Å; Q413-D415 VanDerWaalsContact C-N 3.34Å; Q413-D415 PolarHBondContact O-N 3.47Å; Q413-Y416 PolarHBondContact O-N 2.69Å; Q413-V417 HydrophobicContact CG-CG2 4.08Å; Q413-V417 WeakPolarHBondContact O-CB 3.41Å; Q413-V417 VanDerWaalsContact O-CG2 3.23Å; Q413-V417 WeakPolarHBondContact O-CG2 3.39Å; Q413-V417 PolarHBondContact O-N 2.87Å |
| 414 | E | 88.4 | Confident | 84.6 | Confident | 168 Ų | 168 | 46.2 Ų | 46.2 | 79% | 0.785 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -58.8 | -47.2 | 179.5 | -177.2 | 176.7 | -172.2 | 0 | 0 | 111.3 | A412 Q418 | A412-E414 VanDerWaalsContact C-N 3.32Å; A412-E414 PolarHBondContact O-N 3.04Å; E414-Q418 VanDerWaalsContact O-CB 3.25Å; E414-Q418 WeakPolarHBondContact O-CB 3.33Å; E414-Q418 PolarHBondContact O-N 3.31Å |
| 415 | D | 90 | Very high | 83.5 | Confident | 50 Ų | 50 | 47.9 Ų | 47.9 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 176.5 | -83 | -43 | 0 | 0 | 0 | 111.5 | R335 V411 A412 Q413 V417 Q418 I419 | R335-D415 WeakPolarHBondContact CD-OD1 3.45Å; R335-D415 IonicContact NE-OD1 3.63Å; R335-D415 PolarHBondContact NE-OD1 3.04Å; V411-D415 HydrophobicContact CG1-CB 3.98Å; A412-D415 PolarHBondContact O-N 3.26Å; Q413-D415 VanDerWaalsContact C-N 3.34Å; Q413-D415 PolarHBondContact O-N 3.47Å; D415-V417 PolarHBondContact O-N 3.23Å; D415-Q418 PolarHBondContact O-N 2.9Å; D415-I419 WeakPolarHBondContact O-CB 3.38Å; D415-I419 WeakPolarHBondContact O-CD1 3.45Å; D415-I419 WeakPolarHBondContact O-CG1 3.33Å; D415-I419 PolarHBondContact O-N 3.08Å |
| 416 | Y | 89 | Confident | 82.4 | Confident | 17 Ų | 17 | 44 Ų | 44 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 179.8 | -173.9 | -115.9 | 0 | 0 | 0 | 110.9 | L332 W358 V386 P388 A412 Q413 Q418 I419 M420 | L332-Y416 HydrophobicContact CD2-CD2 3.81Å; L332-Y416 HydrophobicContact CD2-CE2 4.2Å; W358-Y416 HydrophobicContact CB-CD1 3.92Å; W358-Y416 HydrophobicContact CB-CD2 3.94Å; W358-Y416 HydrophobicContact CB-CE1 4.11Å; W358-Y416 HydrophobicContact CB-CE2 4.17Å; W358-Y416 HydrophobicContact CB-CG 3.81Å; W358-Y416 AromaticContact CD1-CE1 3.94Å; W358-Y416 AromaticContact CD1-CZ 3.69Å; W358-Y416 HydrophobicContact CD2-CD2 4.01Å; W358-Y416 AromaticContact CD2-CE2 3.59Å; W358-Y416 HydrophobicContact CD2-CE2 3.59Å; W358-Y416 AromaticContact CD2-CZ 3.96Å; W358-Y416 AromaticContact CE2-CE2 3.96Å; W358-Y416 HydrophobicContact CE3-CD2 4.09Å; W358-Y416 AromaticContact CE3-CE2 3.92Å; W358-Y416 HydrophobicContact CE3-CE2 3.92Å; W358-Y416 HydrophobicContact CG-CD1 4.27Å; W358-Y416 AromaticContact CG-CD2 3.97Å; W358-Y416 HydrophobicContact CG-CD2 3.97Å; W358-Y416 AromaticContact CG-CE1 3.99Å; W358-Y416 HydrophobicContact CG-CE1 3.99Å; W358-Y416 AromaticContact CG-CE2 3.71Å; W358-Y416 HydrophobicContact CG-CE2 3.71Å; W358-Y416 HydrophobicContact CG-CG 4.25Å; W358-Y416 AromaticContact CG-CZ 3.71Å; W358-Y416 AromaticContact NE1-CZ 3.9Å; V386-Y416 HydrophobicContact CG2-CD1 3.96Å; P388-Y416 HydrophobicContact CB-CD1 4.24Å; P388-Y416 HydrophobicContact CB-CE1 3.79Å; P388-Y416 HydrophobicContact CG-CE1 4.39Å; A412-Y416 WeakPolarHBondContact O-CB 3.32Å; A412-Y416 PolarHBondContact O-N 3.31Å; Q413-Y416 PolarHBondContact O-N 2.69Å; Y416-Q418 VanDerWaalsContact C-N 3.32Å; Y416-Q418 PolarHBondContact O-N 3.17Å; Y416-I419 PolarHBondContact O-N 3.03Å; Y416-M420 HydrophobicContact CD1-CG 4.27Å; Y416-M420 HydrophobicContact CD2-CG 3.87Å; Y416-M420 HydrophobicContact CE1-CG 4.1Å; Y416-M420 HydrophobicContact CE2-CE 4.49Å; Y416-M420 HydrophobicContact CE2-CG 3.63Å; Y416-M420 HydrophobicContact CE2-SD 3.87Å; Y416-M420 HydrophobicContact CG-CG 4.17Å; Y416-M420 WeakPolarHBondContact O-CB 3.46Å; Y416-M420 WeakPolarHBondContact O-CG 3.39Å; Y416-M420 PolarHBondContact O-N 3.03Å |
| 417 | V | 85 | Confident | 81.6 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 175.4 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | I389 A390 Q413 D415 S421 | I389-V417 WeakPolarHBondContact O-CG2 3.19Å; A390-V417 HydrophobicContact CB-CG1 4.39Å; Q413-V417 HydrophobicContact CG-CG2 4.08Å; Q413-V417 WeakPolarHBondContact O-CB 3.41Å; Q413-V417 VanDerWaalsContact O-CG2 3.23Å; Q413-V417 WeakPolarHBondContact O-CG2 3.39Å; Q413-V417 PolarHBondContact O-N 2.87Å; D415-V417 PolarHBondContact O-N 3.23Å; V417-S421 WeakPolarHBondContact O-CB 3.44Å; V417-S421 PolarHBondContact O-N 3.38Å; V417-S421 PolarHBondContact O-OG 3.37Å |
| 418 | Q | 83.9 | Confident | 80.9 | Confident | 81 Ų | 81 | 49.8 Ų | 49.8 | 38% | 0.379 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 176.3 | -172.7 | -176.4 | 63.5 | 0 | 0 | 112.3 | E414 D415 Y416 S421 R422 | E414-Q418 VanDerWaalsContact O-CB 3.25Å; E414-Q418 WeakPolarHBondContact O-CB 3.33Å; E414-Q418 PolarHBondContact O-N 3.31Å; D415-Q418 PolarHBondContact O-N 2.9Å; Y416-Q418 VanDerWaalsContact C-N 3.32Å; Y416-Q418 PolarHBondContact O-N 3.17Å; Q418-S421 WeakPolarHBondContact CA-OG 3.45Å; Q418-S421 PolarHBondContact O-OG 2.72Å; Q418-R422 WeakPolarHBondContact O-CG 3.28Å; Q418-R422 PolarHBondContact O-N 2.99Å |
| 419 | I | 84 | Confident | 80.3 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 178.7 | -63.7 | 161.1 | 0 | 0 | 0 | 110.1 | V328 E331 L332 V411 D415 Y416 R422 | V328-I419 HydrophobicContact CB-CG2 4.32Å; V328-I419 HydrophobicContact CG1-CG2 3.8Å; V328-I419 HydrophobicContact CG2-CG2 4.2Å; E331-I419 HydrophobicContact CB-CD1 4.23Å; E331-I419 HydrophobicContact CB-CG1 4.04Å; E331-I419 HydrophobicContact CB-CG2 3.86Å; L332-I419 HydrophobicContact CD2-CD1 3.82Å; L332-I419 HydrophobicContact CD2-CG2 4.39Å; L332-I419 HydrophobicContact CG-CD1 4.43Å; L332-I419 HydrophobicContact CG-CG2 4.37Å; V411-I419 HydrophobicContact CG1-CD1 4.41Å; D415-I419 WeakPolarHBondContact O-CB 3.38Å; D415-I419 WeakPolarHBondContact O-CD1 3.45Å; D415-I419 WeakPolarHBondContact O-CG1 3.33Å; D415-I419 PolarHBondContact O-N 3.08Å; Y416-I419 PolarHBondContact O-N 3.03Å; I419-R422 WeakPolarHBondContact O-CB 3.31Å; I419-R422 PolarHBondContact O-N 2.97Å |
| 420 | M | 81.4 | Confident | 79.9 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 14% | 0.138 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.9 | -32.1 | -177.6 | -63 | -65.6 | -73.3 | 0 | 0 | 112 | L324 V328 P388 Y416 R422 L423 | L324-M420 HydrophobicContact CD2-CE 4.07Å; L324-M420 HydrophobicContact CD2-SD 4.2Å; V328-M420 HydrophobicContact CG1-SD 4.19Å; P388-M420 HydrophobicContact CB-CB 3.61Å; P388-M420 HydrophobicContact CB-CE 4.32Å; P388-M420 HydrophobicContact CB-CG 3.87Å; P388-M420 HydrophobicContact CG-CE 4.33Å; Y416-M420 HydrophobicContact CD1-CG 4.27Å; Y416-M420 HydrophobicContact CD2-CG 3.87Å; Y416-M420 HydrophobicContact CE1-CG 4.1Å; Y416-M420 HydrophobicContact CE2-CE 4.49Å; Y416-M420 HydrophobicContact CE2-CG 3.63Å; Y416-M420 HydrophobicContact CE2-SD 3.87Å; Y416-M420 HydrophobicContact CG-CG 4.17Å; Y416-M420 WeakPolarHBondContact O-CB 3.46Å; Y416-M420 WeakPolarHBondContact O-CG 3.39Å; Y416-M420 PolarHBondContact O-N 3.03Å; M420-R422 VanDerWaalsContact C-N 3.29Å; M420-R422 PolarHBondContact O-N 3.42Å; M420-L423 HydrophobicContact CB-CD1 4.24Å; M420-L423 HydrophobicContact CE-CD1 3.39Å; M420-L423 HydrophobicContact CG-CD1 4.42Å; M420-L423 WeakPolarHBondContact O-CA 3.36Å; M420-L423 WeakPolarHBondContact O-CB 3.46Å; M420-L423 PolarHBondContact O-N 3.28Å; M420-L423 HydrophobicContact SD-CD1 3.35Å; M420-L423 WeakPolarHBondContact SD-CD1 3.26Å; M420-L423 HydrophobicContact SD-CG 4.44Å |
| 421 | S | 72.7 | Confident | 79.4 | Confident | 56 Ų | 56 | 62.2 Ų | 62.2 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.1 | -34.8 | 172.5 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | V417 Q418 L423 S424 | V417-S421 WeakPolarHBondContact O-CB 3.44Å; V417-S421 PolarHBondContact O-N 3.38Å; V417-S421 PolarHBondContact O-OG 3.37Å; Q418-S421 WeakPolarHBondContact CA-OG 3.45Å; Q418-S421 PolarHBondContact O-OG 2.72Å; S421-L423 PolarHBondContact O-N 3.48Å; S421-S424 WeakPolarHBondContact O-CB 3.39Å; S421-S424 PolarHBondContact O-N 3.27Å; S421-S424 PolarHBondContact O-OG 2.92Å |
| 422 | R | 70.6 | Confident | 78.7 | Confident | 88 Ų | 88 | 64.6 Ų | 64.6 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.2 | -18.3 | 170.5 | -66 | 173.5 | -172.8 | 175.8 | 6 | 113.5 | Y327 E331 Q418 I419 M420 S424 E425 S426 | Y327-R422 PolarHBondContact OH-O 3.47Å; E331-R422 IonicContact OE2-NH1 3.02Å; E331-R422 PolarHBondContact OE2-NH1 3.02Å; Q418-R422 WeakPolarHBondContact O-CG 3.28Å; Q418-R422 PolarHBondContact O-N 2.99Å; I419-R422 WeakPolarHBondContact O-CB 3.31Å; I419-R422 PolarHBondContact O-N 2.97Å; M420-R422 VanDerWaalsContact C-N 3.29Å; M420-R422 PolarHBondContact O-N 3.42Å; R422-S424 VanDerWaalsContact C-N 3.33Å; R422-E425 PolarHBondContact O-N 3.23Å; R422-S426 PolarHBondContact O-N 3.4Å; R422-S426 PolarHBondContact O-OG 3.2Å; R422-S426 VanDerWaalsContact O-OG 3.1Å |
| 423 | L | 64.3 | Low | 77.9 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 12% | 0.12 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 167.4 | -67.7 | 165.5 | 0 | 0 | 0 | 110.3 | L324 P325 Y327 V328 M420 S421 E425 S426 Y427 | L324-L423 HydrophobicContact CD2-CD1 4.45Å; P325-L423 VanDerWaalsContact CD-CD2 3.46Å; P325-L423 HydrophobicContact CG-CD2 3.57Å; Y327-L423 VanDerWaalsContact OH-CA 3.26Å; Y327-L423 WeakPolarHBondContact OH-CA 3.16Å; Y327-L423 WeakPolarHBondContact OH-CD2 3.34Å; V328-L423 HydrophobicContact CB-CD2 4.15Å; V328-L423 HydrophobicContact CG1-CD2 4.49Å; V328-L423 HydrophobicContact CG2-CD1 4.46Å; V328-L423 HydrophobicContact CG2-CD2 3.26Å; V328-L423 HydrophobicContact CG2-CG 3.71Å; M420-L423 HydrophobicContact CB-CD1 4.24Å; M420-L423 HydrophobicContact CE-CD1 3.39Å; M420-L423 HydrophobicContact CG-CD1 4.42Å; M420-L423 WeakPolarHBondContact O-CA 3.36Å; M420-L423 WeakPolarHBondContact O-CB 3.46Å; M420-L423 PolarHBondContact O-N 3.28Å; M420-L423 HydrophobicContact SD-CD1 3.35Å; M420-L423 WeakPolarHBondContact SD-CD1 3.26Å; M420-L423 HydrophobicContact SD-CG 4.44Å; S421-L423 PolarHBondContact O-N 3.48Å; L423-E425 PolarHBondContact O-N 2.86Å; L423-S426 WeakPolarHBondContact O-CA 3.47Å; L423-S426 WeakPolarHBondContact O-CB 3.4Å; L423-S426 PolarHBondContact O-N 3.24Å; L423-Y427 WeakPolarHBondContact O-CD2 3.42Å; L423-Y427 PolarHBondContact O-N 3.44Å |
| 424 | S | 62.5 | Low | 77.3 | Confident | 85 Ų | 85 | 78 Ų | 78 | 59% | 0.594 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59 | -33.6 | 179.5 | 75.9 | 0 | 0 | 0 | 0 | 112 | S421 R422 S426 Y427 | S421-S424 WeakPolarHBondContact O-CB 3.39Å; S421-S424 PolarHBondContact O-N 3.27Å; S421-S424 PolarHBondContact O-OG 2.92Å; R422-S424 VanDerWaalsContact C-N 3.33Å; S424-S426 VanDerWaalsContact C-N 3.3Å; S424-S426 PolarHBondContact O-N 3.27Å; S424-Y427 PolarHBondContact O-N 3.25Å; S424-Y427 VanDerWaalsContact O-O 3.05Å |
| 425 | E | 63.4 | Low | 76.7 | Confident | 130 Ų | 130 | 73.6 Ų | 73.6 | 61% | 0.607 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -71.5 | -23 | 174.6 | -59.7 | -176.5 | 166.5 | 0 | 0 | 113.6 | R422 L423 | R422-E425 PolarHBondContact O-N 3.23Å; L423-E425 PolarHBondContact O-N 2.86Å |
| 426 | S | 66.1 | Low | 75.9 | Confident | 9 Ų | 9 | 73.7 Ų | 73.7 | 6% | 0.063 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -84.3 | -16.1 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | Y327 R422 L423 S424 E443 R444 | Y327-S426 VanDerWaalsContact CZ-OG 3.28Å; Y327-S426 VanDerWaalsContact OH-CB 3.31Å; Y327-S426 WeakPolarHBondContact OH-CB 3.19Å; Y327-S426 PolarHBondContact OH-OG 2.92Å; R422-S426 PolarHBondContact O-N 3.4Å; R422-S426 PolarHBondContact O-OG 3.2Å; R422-S426 VanDerWaalsContact O-OG 3.1Å; L423-S426 WeakPolarHBondContact O-CA 3.47Å; L423-S426 WeakPolarHBondContact O-CB 3.4Å; L423-S426 PolarHBondContact O-N 3.24Å; S424-S426 VanDerWaalsContact C-N 3.3Å; S424-S426 PolarHBondContact O-N 3.27Å; S426-E443 CarbonylContact O-C 3.6Å; S426-E443 WeakPolarHBondContact O-CA 3.27Å; S426-R444 WeakPolarHBondContact O-CB 3.27Å; S426-R444 PolarHBondContact O-N 3.09Å |
| 427 | Y | 71.6 | Confident | 75.4 | Confident | 67 Ų | 67 | 79.3 Ų | 79.3 | 26% | 0.263 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.8 | 174 | -66.2 | -81.5 | 0 | 0 | 0 | 111.5 | L423 S424 E441 K442 E443 | L423-Y427 WeakPolarHBondContact O-CD2 3.42Å; L423-Y427 PolarHBondContact O-N 3.44Å; S424-Y427 PolarHBondContact O-N 3.25Å; S424-Y427 VanDerWaalsContact O-O 3.05Å; Y427-E441 HydrophobicContact CD1-CG 4.08Å; Y427-K442 CarbonylContact C-O 3.55Å; Y427-K442 WeakPolarHBondContact CA-O 3.45Å; Y427-E443 HydrophobicContact CD1-CB 3.94Å; Y427-E443 HydrophobicContact CD1-CG 4.17Å; Y427-E443 HydrophobicContact CE1-CB 3.71Å; Y427-E443 HydrophobicContact CE1-CG 3.65Å |
| 428 | L | 75.8 | Confident | 75.2 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 44% | 0.44 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 109.7 | 169.8 | -178.7 | 67.7 | 0 | 0 | 0 | 109.4 | E441 K442 Y453 | L428-E441 WeakPolarHBondContact O-CA 3.45Å; L428-K442 HydrophobicContact CB-CB 4.36Å; L428-K442 PolarHBondContact N-O 2.75Å; L428-K442 PolarHBondContact O-N 3.01Å; L428-Y453 HydrophobicContact CB-CD1 4.17Å; L428-Y453 HydrophobicContact CB-CE1 3.89Å |
| 429 | R | 80.2 | Confident | 75.3 | Confident | 160 Ų | 160 | 77.2 Ų | 77.2 | 60% | 0.604 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121.7 | 171.5 | -66.4 | -179.1 | -175.1 | 172.2 | 4.5 | 110 | V438 E441 | R429-V438 HydrophobicContact CB-CG1 4.31Å; R429-E441 HydrophobicContact CG-CB 4.39Å; R429-E441 HydrophobicContact CG-CG 4.03Å; R429-E441 IonicContact CZ-OE1 2.73Å; R429-E441 IonicContact NE-OE1 3.72Å; R429-E441 PolarHBondContact NE-OE1 3.29Å; R429-E441 IonicContact NH2-OE1 3.46Å; R429-E441 PolarHBondContact NH2-OE1 2.88Å |
| 430 | Q | 81.8 | Confident | 75.5 | Confident | 74 Ų | 74 | 77.3 Ų | 77.3 | 35% | 0.346 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123.7 | 173.6 | -174.6 | 173.1 | -6.7 | 0 | 0 | 108.7 | V439 C440 | Q430-V439 HydrophobicContact CB-CG2 4.41Å; Q430-V439 HydrophobicContact CG-CG2 4.14Å; Q430-V439 WeakPolarHBondContact O-CG2 3.34Å; Q430-V439 PolarHBondContact O-N 3.22Å; Q430-C440 VanDerWaalsContact CB-SG 3.59Å; Q430-C440 PolarHBondContact N-O 3.37Å; Q430-C440 PolarHBondContact O-N 3.28Å; Q430-C440 PolarHBondContact OE1-SG 3.37Å |
| 431 | T | 82.8 | Confident | 75.7 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 151.1 | 173.2 | 51.7 | 0 | 0 | 0 | 0 | 110.7 | S433 G436 H437 V438 | T431-S433 PolarHBondContact O-N 3.04Å; T431-G436 WeakPolarHBondContact CG2-O 2.89Å; T431-H437 CarbonylContact C-O 3.56Å; T431-H437 WeakPolarHBondContact CA-O 3.38Å; T431-V438 HydrophobicContact CG2-CG2 4.02Å |
| 432 | D | 76.7 | Confident | 76.4 | Confident | 52 Ų | 52 | 75.4 Ų | 75.4 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 124.5 | 169 | 172.9 | 13.2 | 0 | 0 | 0 | 109.2 | R434 T435 G436 H437 V439 | D432-R434 PolarHBondContact O-N 2.62Å; D432-R434 VanDerWaalsContact O-N 3.14Å; D432-R434 PolarHBondContact OD1-N 3.07Å; D432-T435 WeakPolarHBondContact CB-OG1 3.41Å; D432-T435 PolarHBondContact O-N 3.2Å; D432-T435 WeakPolarHBondContact OD2-CG2 3.45Å; D432-T435 PolarHBondContact OD2-OG1 3.34Å; D432-G436 WeakPolarHBondContact O-CA 3.34Å; D432-G436 PolarHBondContact O-N 2.57Å; D432-H437 PolarHBondContact N-O 3.44Å; D432-V439 HydrophobicContact CB-CG1 3.7Å |
| 433 | S | 76 | Confident | 77 | Confident | 129 Ų | 129 | 72.1 Ų | 72.1 | 90% | 0.902 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27 | 177.6 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | T431 | T431-S433 PolarHBondContact O-N 3.04Š|
| 434 | R | 77.6 | Confident | 77.6 | Confident | 230 Ų | 230 | 75.4 Ų | 75.4 | 87% | 0.868 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -38.8 | -176.2 | -171.9 | 176.1 | -178.9 | 178.6 | 0.7 | 112.9 | D432 | D432-R434 PolarHBondContact O-N 2.62Å; D432-R434 VanDerWaalsContact O-N 3.14Å; D432-R434 PolarHBondContact OD1-N 3.07Å |
| 435 | T | 74.8 | Confident | 78.4 | Confident | 74 Ų | 74 | 74.4 Ų | 74.4 | 45% | 0.454 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -16.3 | -172.6 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | D432 H437 | D432-T435 WeakPolarHBondContact CB-OG1 3.41Å; D432-T435 PolarHBondContact O-N 3.2Å; D432-T435 WeakPolarHBondContact OD2-CG2 3.45Å; D432-T435 PolarHBondContact OD2-OG1 3.34Å; T435-H437 PolarHBondContact O-N 3.44Å |
| 436 | G | 73.3 | Confident | 78.7 | Confident | 52 Ų | 52 | 72.3 Ų | 72.3 | 54% | 0.536 | 37% | 0.365 | S | S | . | . | trans | 73.8 | -6.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T431 D432 | T431-G436 WeakPolarHBondContact CG2-O 2.89Å; D432-G436 WeakPolarHBondContact O-CA 3.34Å; D432-G436 PolarHBondContact O-N 2.57Å | ||
| 437 | H | 79.1 | Confident | 78.8 | Confident | 136 Ų | 136 | 74.8 Ų | 74.8 | 63% | 0.63 | 38% | 0.38 | S | S | * | . | trans | -73.6 | 144.8 | 179.8 | -67.3 | -60.4 | 0 | 0 | 0 | 111.9 | T431 D432 T435 V439 | T431-H437 CarbonylContact C-O 3.56Å; T431-H437 WeakPolarHBondContact CA-O 3.38Å; D432-H437 PolarHBondContact N-O 3.44Å; T435-H437 PolarHBondContact O-N 3.44Å; H437-V439 PolarHBondContact O-N 2.76Å | ||
| 438 | V | 81.7 | Confident | 78.6 | Confident | 46 Ų | 46 | 78.1 Ų | 78.1 | 28% | 0.279 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 124 | 172.5 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | R429 T431 L1115 | R429-V438 HydrophobicContact CB-CG1 4.31Å; T431-V438 HydrophobicContact CG2-CG2 4.02Å; V438-L1115 HydrophobicContact CB-CD1 4.47Å; V438-L1115 HydrophobicContact CG1-CD1 3.95Å |
| 439 | V | 85.5 | Confident | 78.2 | Confident | 20 Ų | 20 | 82 Ų | 82 | 12% | 0.121 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -24.5 | 179.2 | -75.8 | 0 | 0 | 0 | 0 | 112.9 | Q430 D432 H437 A458 T459 K462 | Q430-V439 HydrophobicContact CB-CG2 4.41Å; Q430-V439 HydrophobicContact CG-CG2 4.14Å; Q430-V439 WeakPolarHBondContact O-CG2 3.34Å; Q430-V439 PolarHBondContact O-N 3.22Å; D432-V439 HydrophobicContact CB-CG1 3.7Å; H437-V439 PolarHBondContact O-N 2.76Å; V439-A458 WeakPolarHBondContact O-CA 3.4Å; V439-T459 HydrophobicContact CB-CG2 4.45Å; V439-T459 HydrophobicContact CG1-CG2 4.41Å; V439-T459 PolarHBondContact O-N 3.24Å; V439-T459 PolarHBondContact O-OG1 2.92Å; V439-K462 HydrophobicContact CB-CG 4.07Å; V439-K462 HydrophobicContact CG2-CG 4.43Å |
| 440 | C | 87.7 | Confident | 77.7 | Confident | 3 Ų | 3 | 80.7 Ų | 80.7 | 2% | 0.02 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 154.1 | 167.1 | 65.7 | 0 | 0 | 0 | 0 | 113.6 | Q430 L455 K457 A458 | Q430-C440 VanDerWaalsContact CB-SG 3.59Å; Q430-C440 PolarHBondContact N-O 3.37Å; Q430-C440 PolarHBondContact O-N 3.28Å; Q430-C440 PolarHBondContact OE1-SG 3.37Å; C440-L455 HydrophobicContact CB-CD1 3.74Å; C440-K457 CarbonylContact C-O 3.55Å; C440-K457 VanDerWaalsContact CA-O 3.24Å; C440-K457 WeakPolarHBondContact CA-O 3.42Å; C440-K457 WeakPolarHBondContact CB-O 3.22Å; C440-A458 HydrophobicContact CB-CB 3.58Å |
| 441 | E | 86.7 | Confident | 77.1 | Confident | 10 Ų | 10 | 83 Ų | 83 | 5% | 0.047 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.1 | 173 | -174.1 | 167.1 | -136.8 | 0 | 0 | 108.8 | Y427 L428 R429 T456 K457 | Y427-E441 HydrophobicContact CD1-CG 4.08Å; L428-E441 WeakPolarHBondContact O-CA 3.45Å; R429-E441 HydrophobicContact CG-CB 4.39Å; R429-E441 HydrophobicContact CG-CG 4.03Å; R429-E441 IonicContact CZ-OE1 2.73Å; R429-E441 IonicContact NE-OE1 3.72Å; R429-E441 PolarHBondContact NE-OE1 3.29Å; R429-E441 IonicContact NH2-OE1 3.46Å; R429-E441 PolarHBondContact NH2-OE1 2.88Å; E441-T456 PolarHBondContact O-N 2.95Å; E441-T456 PolarHBondContact O-OG1 2.97Å; E441-T456 VanDerWaalsContact O-OG1 3.11Å; E441-K457 HydrophobicContact CB-CB 4.19Å; E441-K457 PolarHBondContact N-O 3.25Å; E441-K457 PolarHBondContact O-N 2.79Å; E441-K457 WeakPolarHBondContact OE2-CD 3.17Å; E441-K457 WeakPolarHBondContact OE2-CE 3.35Å; E441-K457 IonicContact OE2-NZ 2.85Å; E441-K457 PolarHBondContact OE2-NZ 2.8Å |
| 442 | K | 85.5 | Confident | 76.8 | Confident | 35 Ų | 35 | 79.8 Ų | 79.8 | 15% | 0.152 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134 | 178.4 | -63.6 | 174.8 | -179.9 | 174.2 | 0 | 109.5 | Y427 L428 Y453 V454 L455 | Y427-K442 CarbonylContact C-O 3.55Å; Y427-K442 WeakPolarHBondContact CA-O 3.45Å; L428-K442 HydrophobicContact CB-CB 4.36Å; L428-K442 PolarHBondContact N-O 2.75Å; L428-K442 PolarHBondContact O-N 3.01Å; K442-Y453 HydrophobicContact CB-CD1 4.22Å; K442-V454 CarbonylContact C-O 3.53Å; K442-V454 WeakPolarHBondContact CA-O 3.42Å; K442-L455 HydrophobicContact CG-CD1 3.68Å |
| 443 | E | 83.5 | Confident | 77 | Confident | 19 Ų | 19 | 81.6 Ų | 81.6 | 9% | 0.089 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.6 | 175.8 | -173.9 | -169.4 | 168.5 | 0 | 0 | 110.6 | S426 Y427 R445 Y453 V454 T456 | S426-E443 CarbonylContact O-C 3.6Å; S426-E443 WeakPolarHBondContact O-CA 3.27Å; Y427-E443 HydrophobicContact CD1-CB 3.94Å; Y427-E443 HydrophobicContact CD1-CG 4.17Å; Y427-E443 HydrophobicContact CE1-CB 3.71Å; Y427-E443 HydrophobicContact CE1-CG 3.65Å; E443-R445 HydrophobicContact CG-CG 4.21Å; E443-R445 PolarHBondContact O-N 3.13Å; E443-R445 IonicContact OE1-NE 3.66Å; E443-R445 IonicContact OE2-CZ 3.81Å; E443-R445 IonicContact OE2-NE 2.69Å; E443-R445 PolarHBondContact OE2-NE 3.31Å; E443-R445 IonicContact OE2-NH2 2.86Å; E443-R445 PolarHBondContact OE2-NH2 3.29Å; E443-Y453 CarbonylContact O-C 3.51Å; E443-Y453 WeakPolarHBondContact O-CA 3.39Å; E443-V454 PolarHBondContact N-O 3.04Å; E443-V454 PolarHBondContact O-N 3.35Å; E443-T456 HydrophobicContact CB-CG2 3.63Å |
| 444 | R | 76.7 | Confident | 77.5 | Confident | 92 Ų | 92 | 75.6 Ų | 75.6 | 35% | 0.347 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 116.1 | 173.6 | -165 | 172.7 | 116.4 | -153.6 | 2.1 | 109.3 | S426 E451 Y453 | S426-R444 WeakPolarHBondContact O-CB 3.27Å; S426-R444 PolarHBondContact O-N 3.09Å; R444-E451 IonicContact NE-OE2 3.49Å; R444-Y453 HydrophobicContact CB-CD1 4.05Å; R444-Y453 HydrophobicContact CB-CE1 3.74Å; R444-Y453 HydrophobicContact CG-CE1 4.13Å |
| 445 | R | 79 | Confident | 77.9 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 24% | 0.242 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 150.3 | 178.7 | -62.3 | -172.4 | -178.6 | 173.5 | -4.5 | 110.8 | E443 G452 V454 V476 E1119 | E443-R445 HydrophobicContact CG-CG 4.21Å; E443-R445 PolarHBondContact O-N 3.13Å; E443-R445 IonicContact OE1-NE 3.66Å; E443-R445 IonicContact OE2-CZ 3.81Å; E443-R445 IonicContact OE2-NE 2.69Å; E443-R445 PolarHBondContact OE2-NE 3.31Å; E443-R445 IonicContact OE2-NH2 2.86Å; E443-R445 PolarHBondContact OE2-NH2 3.29Å; R445-G452 PolarHBondContact N-O 2.98Å; R445-G452 PolarHBondContact O-N 3.45Å; R445-V454 HydrophobicContact CB-CG2 4.13Å; R445-V454 HydrophobicContact CG-CB 4.48Å; R445-V454 HydrophobicContact CG-CG2 4.1Å; R445-V476 HydrophobicContact CB-CG1 3.98Å; R445-E1119 IonicContact CZ-OE1 3.53Å; R445-E1119 IonicContact CZ-OE2 2.99Å; R445-E1119 IonicContact NH1-OE1 3.75Å; R445-E1119 PolarHBondContact NH1-OE1 2.82Å; R445-E1119 VanDerWaalsContact NH1-OE1 3.08Å; R445-E1119 IonicContact NH1-OE2 3.96Å; R445-E1119 IonicContact NH2-OE1 3.46Å; R445-E1119 PolarHBondContact NH2-OE1 3.5Å; R445-E1119 IonicContact NH2-OE2 2.61Å; R445-E1119 PolarHBondContact NH2-OE2 3.05Å |
| 446 | V | 70.9 | Confident | 78.6 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125 | 176.4 | -170.4 | 0 | 0 | 0 | 0 | 108.8 | R450 E451 | V446-R450 WeakPolarHBondContact CA-O 3.45Å; V446-E451 HydrophobicContact CB-CG 4.45Å; V446-E451 HydrophobicContact CG1-CG 4.13Å; V446-E451 HydrophobicContact CG2-CB 4.32Å; V446-E451 HydrophobicContact CG2-CG 3.7Å; V446-E451 WeakPolarHBondContact CG2-OE1 3.47Å |
| 447 | V | 67.7 | Low | 79.3 | Confident | 61 Ų | 61 | 62 Ų | 62 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 123.6 | 177.5 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | D449 R450 V476 | V447-D449 PolarHBondContact O-N 3.27Å; V447-R450 PolarHBondContact N-O 3.15Å; V447-R450 WeakPolarHBondContact O-CB 3.4Å; V447-R450 PolarHBondContact O-N 3.44Å; V447-V476 HydrophobicContact CG2-CG1 3.89Å |
| 448 | D | 66.9 | Low | 79.9 | Confident | 138 Ų | 138 | 55.5 Ų | 55.5 | 74% | 0.738 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 52.8 | 180 | -57.4 | -27.7 | 0 | 0 | 0 | 113.5 | R450 | D448-R450 PolarHBondContact O-N 3.26Š|
| 449 | D | 67.9 | Low | 80.5 | Confident | 164 Ų | 164 | 55 Ų | 55 | 88% | 0.877 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 9 | -174.8 | -63.4 | -32.4 | 0 | 0 | 0 | 115.8 | V447 | V447-D449 PolarHBondContact O-N 3.27Š|
| 450 | R | 69.7 | Low | 80.7 | Confident | 133 Ų | 133 | 55.9 Ų | 55.9 | 50% | 0.502 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.3 | 174.5 | -59.9 | 179.8 | -176 | -157.9 | -3.2 | 109.9 | V446 V447 D448 H475 | V446-R450 WeakPolarHBondContact CA-O 3.45Å; V447-R450 PolarHBondContact N-O 3.15Å; V447-R450 WeakPolarHBondContact O-CB 3.4Å; V447-R450 PolarHBondContact O-N 3.44Å; D448-R450 PolarHBondContact O-N 3.26Å; R450-H475 PolarHBondContact NH1-CD2 3.45Å; R450-H475 VanDerWaalsContact NH1-CD2 3.35Å; R450-H475 PolarHBondContact NH1-CE1 3.42Å; R450-H475 VanDerWaalsContact NH1-CE1 3.26Å; R450-H475 PolarHBondContact NH1-ND1 2.97Å; R450-H475 VanDerWaalsContact NH1-ND1 3.17Å; R450-H475 PolarHBondContact NH1-NE2 3.29Å |
| 451 | E | 69.6 | Low | 80.9 | Confident | 122 Ų | 122 | 58.9 Ų | 58.9 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 144.5 | 171.9 | -52.4 | -155.4 | 138.5 | 0 | 0 | 111.2 | R444 V446 | R444-E451 IonicContact NE-OE2 3.49Å; V446-E451 HydrophobicContact CB-CG 4.45Å; V446-E451 HydrophobicContact CG1-CG 4.13Å; V446-E451 HydrophobicContact CG2-CB 4.32Å; V446-E451 HydrophobicContact CG2-CG 3.7Å; V446-E451 WeakPolarHBondContact CG2-OE1 3.47Å |
| 452 | G | 75.8 | Confident | 81.1 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | 167.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R445 | R445-G452 PolarHBondContact N-O 2.98Å; R445-G452 PolarHBondContact O-N 3.45Å |
| 453 | Y | 81.6 | Confident | 81.4 | Confident | 89 Ų | 89 | 59 Ų | 59 | 35% | 0.349 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 131.5 | -179.1 | -72.3 | -84.4 | 0 | 0 | 0 | 111.9 | L428 K442 E443 R444 S473 | L428-Y453 HydrophobicContact CB-CD1 4.17Å; L428-Y453 HydrophobicContact CB-CE1 3.89Å; K442-Y453 HydrophobicContact CB-CD1 4.22Å; E443-Y453 CarbonylContact O-C 3.51Å; E443-Y453 WeakPolarHBondContact O-CA 3.39Å; R444-Y453 HydrophobicContact CB-CD1 4.05Å; R444-Y453 HydrophobicContact CB-CE1 3.74Å; R444-Y453 HydrophobicContact CG-CE1 4.13Å; Y453-S473 WeakPolarHBondContact O-CB 3.38Å |
| 454 | V | 85.3 | Confident | 81.7 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | K442 E443 R445 T456 V476 D477 | K442-V454 CarbonylContact C-O 3.53Å; K442-V454 WeakPolarHBondContact CA-O 3.42Å; E443-V454 PolarHBondContact N-O 3.04Å; E443-V454 PolarHBondContact O-N 3.35Å; R445-V454 HydrophobicContact CB-CG2 4.13Å; R445-V454 HydrophobicContact CG-CB 4.48Å; R445-V454 HydrophobicContact CG-CG2 4.1Å; V454-T456 PolarHBondContact O-N 2.82Å; V454-V476 HydrophobicContact CG2-CG1 3.69Å; V454-D477 HydrophobicContact CG1-CB 4.36Å; V454-D477 HydrophobicContact CG2-CB 4.17Å |
| 455 | L | 87.8 | Confident | 82.3 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 117.2 | 179.3 | -167.9 | 64.2 | 0 | 0 | 0 | 109.7 | C440 K442 A458 L463 A466 Y480 | C440-L455 HydrophobicContact CB-CD1 3.74Å; K442-L455 HydrophobicContact CG-CD1 3.68Å; L455-A458 HydrophobicContact CD1-CB 4.14Å; L455-A458 HydrophobicContact CD2-CB 4.19Å; L455-A458 HydrophobicContact CG-CB 4.28Å; L455-L463 HydrophobicContact CD2-CD2 3.65Å; L455-L463 HydrophobicContact CG-CD2 4.34Å; L455-A466 HydrophobicContact CD2-CB 3.81Å; L455-Y480 HydrophobicContact CB-CE2 4.49Å; L455-Y480 HydrophobicContact CD2-CE2 4.09Å |
| 456 | T | 88 | Confident | 82.7 | Confident | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -42.2 | -177.7 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | E441 E443 V454 F1118 E1119 | E441-T456 PolarHBondContact O-N 2.95Å; E441-T456 PolarHBondContact O-OG1 2.97Å; E441-T456 VanDerWaalsContact O-OG1 3.11Å; E443-T456 HydrophobicContact CB-CG2 3.63Å; V454-T456 PolarHBondContact O-N 2.82Å; T456-F1118 WeakPolarHBondContact O-CA 3.48Å; T456-F1118 WeakPolarHBondContact O-CB 3.25Å; T456-F1118 PolarHBondContact O-N 3.35Å; T456-E1119 PolarHBondContact O-N 2.88Å |
| 457 | K | 89.1 | Confident | 83.5 | Confident | 58 Ų | 58 | 50 Ų | 50 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 142.6 | 176.9 | -53.4 | 174.5 | -169.2 | 150.5 | 0 | 111.3 | C440 E441 C1111 L1115 V1116 | C440-K457 CarbonylContact C-O 3.55Å; C440-K457 VanDerWaalsContact CA-O 3.24Å; C440-K457 WeakPolarHBondContact CA-O 3.42Å; C440-K457 WeakPolarHBondContact CB-O 3.22Å; E441-K457 HydrophobicContact CB-CB 4.19Å; E441-K457 PolarHBondContact N-O 3.25Å; E441-K457 PolarHBondContact O-N 2.79Å; E441-K457 WeakPolarHBondContact OE2-CD 3.17Å; E441-K457 WeakPolarHBondContact OE2-CE 3.35Å; E441-K457 IonicContact OE2-NZ 2.85Å; E441-K457 PolarHBondContact OE2-NZ 2.8Å; K457-C1111 HydrophobicContact CD-CB 4.4Å; K457-C1111 VanDerWaalsContact CD-SG 3.53Å; K457-L1115 HydrophobicContact CB-CB 4.08Å; K457-L1115 HydrophobicContact CB-CD1 4.16Å; K457-V1116 VanDerWaalsContact CA-O 3.26Å; K457-V1116 WeakPolarHBondContact CA-O 3.32Å |
| 458 | A | 92 | Very high | 84.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 160.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | V439 C440 L455 K462 L463 V1116 | V439-A458 WeakPolarHBondContact O-CA 3.4Å; C440-A458 HydrophobicContact CB-CB 3.58Å; L455-A458 HydrophobicContact CD1-CB 4.14Å; L455-A458 HydrophobicContact CD2-CB 4.19Å; L455-A458 HydrophobicContact CG-CB 4.28Å; A458-K462 HydrophobicContact CB-CB 4.12Å; A458-L463 HydrophobicContact CB-CD2 3.81Å; A458-L463 HydrophobicContact CB-CG 3.79Å; A458-V1116 PolarHBondContact N-O 3Å; A458-V1116 WeakPolarHBondContact O-CB 3.26Å; A458-V1116 PolarHBondContact O-N 3.26Å |
| 459 | T | 92.8 | Very high | 84.9 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 23% | 0.227 | 22% | 0.217 | C | C | . | . | trans | -64.4 | 149.6 | 165.5 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | V439 S461 K462 L463 L1115 | V439-T459 HydrophobicContact CB-CG2 4.45Å; V439-T459 HydrophobicContact CG1-CG2 4.41Å; V439-T459 PolarHBondContact O-N 3.24Å; V439-T459 PolarHBondContact O-OG1 2.92Å; T459-S461 PolarHBondContact O-N 2.94Å; T459-S461 VanDerWaalsContact O-N 3.17Å; T459-K462 PolarHBondContact O-N 3.22Å; T459-K462 WeakPolarHBondContact OG1-CB 3.36Å; T459-K462 WeakPolarHBondContact OG1-CG 3.42Å; T459-L463 PolarHBondContact O-N 3.24Å; T459-L1115 HydrophobicContact CG2-CD2 3.57Å | ||
| 460 | P | 91.6 | Very high | 84.6 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 24% | 0.24 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -51.7 | -41 | 177.8 | -30.3 | 36.5 | 0 | 0 | 0 | 113.5 | K462 L463 I464 F491 W1110 V1116 | P460-K462 PolarHBondContact O-N 3.35Å; P460-L463 PolarHBondContact O-N 3.47Å; P460-I464 WeakPolarHBondContact O-CG1 3.27Å; P460-I464 PolarHBondContact O-N 2.99Å; P460-F491 HydrophobicContact CB-CD2 3.91Å; P460-F491 HydrophobicContact CB-CE2 4.24Å; P460-F491 HydrophobicContact CG-CD2 4.08Å; P460-W1110 HydrophobicContact CG-CH2 4.01Å; P460-W1110 HydrophobicContact CG-CZ3 4.35Å; P460-V1116 HydrophobicContact CG-CG2 4.03Å |
| 461 | S | 89.9 | Confident | 84.2 | Confident | 67 Ų | 67 | 38.4 Ų | 38.4 | 47% | 0.469 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 177.6 | -68.6 | 0 | 0 | 0 | 0 | 113 | T459 I464 E465 K501 | T459-S461 PolarHBondContact O-N 2.94Å; T459-S461 VanDerWaalsContact O-N 3.17Å; S461-I464 PolarHBondContact O-N 3.32Å; S461-E465 PolarHBondContact O-N 3.5Å; S461-E465 VanDerWaalsContact O-N 3.08Å; S461-K501 PolarHBondContact O-NZ 3.03Å |
| 462 | K | 91 | Very high | 83.4 | Confident | 48 Ų | 48 | 40.3 Ų | 40.3 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.5 | -34.2 | 177.3 | -76.7 | -70.1 | 172 | -157.4 | 0 | 112.6 | V439 A458 T459 P460 I464 E465 A466 | V439-K462 HydrophobicContact CB-CG 4.07Å; V439-K462 HydrophobicContact CG2-CG 4.43Å; A458-K462 HydrophobicContact CB-CB 4.12Å; T459-K462 PolarHBondContact O-N 3.22Å; T459-K462 WeakPolarHBondContact OG1-CB 3.36Å; T459-K462 WeakPolarHBondContact OG1-CG 3.42Å; P460-K462 PolarHBondContact O-N 3.35Å; K462-I464 VanDerWaalsContact C-N 3.29Å; K462-I464 PolarHBondContact O-N 3.04Å; K462-E465 WeakPolarHBondContact CD-OE2 3.49Å; K462-E465 WeakPolarHBondContact CE-OE2 3.21Å; K462-E465 IonicContact NZ-OE2 2.78Å; K462-E465 PolarHBondContact NZ-OE2 2.96Å; K462-E465 PolarHBondContact O-N 2.84Å; K462-A466 VanDerWaalsContact O-CB 3.23Å; K462-A466 WeakPolarHBondContact O-CB 3.25Å; K462-A466 PolarHBondContact O-N 2.96Å |
| 463 | L | 92.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -37.9 | 172.6 | -70.9 | 172.6 | 0 | 0 | 0 | 112 | L455 A458 T459 P460 A466 Y480 M484 F491 V1116 F1118 | L455-L463 HydrophobicContact CD2-CD2 3.65Å; L455-L463 HydrophobicContact CG-CD2 4.34Å; A458-L463 HydrophobicContact CB-CD2 3.81Å; A458-L463 HydrophobicContact CB-CG 3.79Å; T459-L463 PolarHBondContact O-N 3.24Å; P460-L463 PolarHBondContact O-N 3.47Å; L463-A466 WeakPolarHBondContact O-CB 3.29Å; L463-Y480 WeakPolarHBondContact CA-OH 3.32Å; L463-Y480 HydrophobicContact CD2-CE2 4.48Å; L463-Y480 PolarHBondContact O-OH 3.41Å; L463-M484 HydrophobicContact CB-CE 4.26Å; L463-M484 HydrophobicContact CB-SD 4.45Å; L463-F491 HydrophobicContact CB-CE2 4.34Å; L463-F491 HydrophobicContact CB-CZ 4.37Å; L463-F491 HydrophobicContact CD1-CD2 4.3Å; L463-F491 HydrophobicContact CD1-CE1 4.14Å; L463-F491 HydrophobicContact CD1-CE2 3.58Å; L463-F491 HydrophobicContact CD1-CZ 3.46Å; L463-F491 VanDerWaalsContact CD1-CZ 3.46Å; L463-V1116 HydrophobicContact CD1-CB 3.84Å; L463-V1116 HydrophobicContact CD1-CG1 3.98Å; L463-V1116 HydrophobicContact CD1-CG2 4.26Å; L463-F1118 HydrophobicContact CD1-CD2 4.16Å; L463-F1118 HydrophobicContact CD2-CB 4.15Å; L463-F1118 HydrophobicContact CD2-CD2 3.71Å; L463-F1118 HydrophobicContact CD2-CE2 4.33Å; L463-F1118 HydrophobicContact CD2-CG 3.98Å |
| 464 | I | 90.7 | Very high | 81.6 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.046 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.2 | -43.4 | 176.6 | -54.6 | 164.1 | 0 | 0 | 0 | 111 | P460 S461 K462 A466 L467 M484 I492 M498 K501 I502 W505 | P460-I464 WeakPolarHBondContact O-CG1 3.27Å; P460-I464 PolarHBondContact O-N 2.99Å; S461-I464 PolarHBondContact O-N 3.32Å; K462-I464 VanDerWaalsContact C-N 3.29Å; K462-I464 PolarHBondContact O-N 3.04Å; I464-A466 PolarHBondContact O-N 2.91Å; I464-L467 HydrophobicContact CG2-CD1 4.38Å; I464-L467 VanDerWaalsContact O-CB 3.29Å; I464-L467 WeakPolarHBondContact O-CB 3.43Å; I464-L467 PolarHBondContact O-N 3.07Å; I464-L467 VanDerWaalsContact O-N 3.09Å; I464-M484 HydrophobicContact CG1-CE 4.04Å; I464-I492 HydrophobicContact CD1-CD1 3.73Å; I464-I492 HydrophobicContact CG1-CD1 4.01Å; I464-M498 HydrophobicContact CD1-CG 4.48Å; I464-M498 HydrophobicContact CG1-CG 4.35Å; I464-M498 HydrophobicContact CG2-CG 4.38Å; I464-K501 HydrophobicContact CB-CD 4.15Å; I464-K501 HydrophobicContact CD1-CD 4.21Å; I464-K501 HydrophobicContact CG2-CB 4.28Å; I464-K501 HydrophobicContact CG2-CD 3.83Å; I464-K501 HydrophobicContact CG2-CG 4.12Å; I464-I502 HydrophobicContact CG2-CG1 4.37Å; I464-W505 HydrophobicContact CG2-CH2 3.95Å; I464-W505 HydrophobicContact CG2-CZ3 4.03Å |
| 465 | E | 89.1 | Confident | 80.8 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.8 | -39.3 | 175.8 | -80.5 | 158 | -140.1 | 0 | 0 | 112.2 | S461 K462 L467 V468 E469 K501 W505 | S461-E465 PolarHBondContact O-N 3.5Å; S461-E465 VanDerWaalsContact O-N 3.08Å; K462-E465 WeakPolarHBondContact CD-OE2 3.49Å; K462-E465 WeakPolarHBondContact CE-OE2 3.21Å; K462-E465 IonicContact NZ-OE2 2.78Å; K462-E465 PolarHBondContact NZ-OE2 2.96Å; K462-E465 PolarHBondContact O-N 2.84Å; E465-L467 PolarHBondContact O-N 2.91Å; E465-V468 PolarHBondContact O-N 2.9Å; E465-E469 PolarHBondContact O-N 3.49Å; E465-K501 IonicContact OE1-NZ 2.71Å; E465-K501 PolarHBondContact OE1-NZ 3.46Å; E465-W505 HydrophobicContact CG-CH2 4.24Å; E465-W505 HydrophobicContact CG-CZ2 3.9Å |
| 466 | A | 88 | Confident | 80.1 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -15.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L455 K462 L463 I464 V468 R471 Y480 | L455-A466 HydrophobicContact CD2-CB 3.81Å; K462-A466 VanDerWaalsContact O-CB 3.23Å; K462-A466 WeakPolarHBondContact O-CB 3.25Å; K462-A466 PolarHBondContact O-N 2.96Å; L463-A466 WeakPolarHBondContact O-CB 3.29Å; I464-A466 PolarHBondContact O-N 2.91Å; A466-V468 VanDerWaalsContact C-N 3.34Å; A466-R471 PolarHBondContact O-NE 2.74Å; A466-Y480 HydrophobicContact CB-CE1 3.81Å; A466-Y480 WeakPolarHBondContact CB-OH 3.16Å |
| 467 | L | 87.3 | Confident | 79.8 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -26.8 | 174 | -67 | 170 | 0 | 0 | 0 | 113.1 | I464 E465 Y480 V481 M484 M498 I502 K514 L518 | I464-L467 HydrophobicContact CG2-CD1 4.38Å; I464-L467 VanDerWaalsContact O-CB 3.29Å; I464-L467 WeakPolarHBondContact O-CB 3.43Å; I464-L467 PolarHBondContact O-N 3.07Å; I464-L467 VanDerWaalsContact O-N 3.09Å; E465-L467 PolarHBondContact O-N 2.91Å; L467-Y480 HydrophobicContact CD2-CD1 4.15Å; L467-Y480 HydrophobicContact CD2-CE1 3.83Å; L467-Y480 HydrophobicContact CG-CE1 4.27Å; L467-V481 HydrophobicContact CD2-CB 4.47Å; L467-V481 HydrophobicContact CD2-CG1 4.48Å; L467-V481 HydrophobicContact CD2-CG2 4.16Å; L467-M484 HydrophobicContact CD1-CG 4.24Å; L467-M484 HydrophobicContact CD2-CB 4.11Å; L467-M484 HydrophobicContact CD2-CG 3.9Å; L467-M484 HydrophobicContact CG-CG 4.31Å; L467-M498 HydrophobicContact CD1-CE 3.58Å; L467-I502 HydrophobicContact CD1-CD1 3.93Å; L467-I502 HydrophobicContact CD1-CG1 4.34Å; L467-K514 WeakPolarHBondContact O-CE 3.45Å; L467-L518 HydrophobicContact CB-CD1 4.09Å; L467-L518 HydrophobicContact CD2-CD2 4.47Å |
| 468 | V | 83.3 | Confident | 79.5 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -23.6 | -172.1 | -178.5 | 0 | 0 | 0 | 0 | 112.7 | E465 A466 D470 W505 F511 K514 L518 | E465-V468 PolarHBondContact O-N 2.9Å; A466-V468 VanDerWaalsContact C-N 3.34Å; V468-D470 PolarHBondContact O-N 3.45Å; V468-W505 HydrophobicContact CB-CD2 4.3Å; V468-W505 HydrophobicContact CB-CE3 4.22Å; V468-W505 HydrophobicContact CG1-CB 4.47Å; V468-W505 HydrophobicContact CG1-CD2 4.44Å; V468-W505 HydrophobicContact CG1-CG 4.31Å; V468-W505 HydrophobicContact CG2-CD2 3.87Å; V468-W505 HydrophobicContact CG2-CE3 3.37Å; V468-W505 HydrophobicContact CG2-CG 4.41Å; V468-W505 HydrophobicContact CG2-CZ3 3.76Å; V468-F511 HydrophobicContact CG1-CB 3.96Å; V468-F511 HydrophobicContact CG1-CD1 3.14Å; V468-F511 HydrophobicContact CG1-CD2 4.07Å; V468-F511 HydrophobicContact CG1-CE1 3.53Å; V468-F511 HydrophobicContact CG1-CE2 4.41Å; V468-F511 HydrophobicContact CG1-CG 3.45Å; V468-F511 VanDerWaalsContact CG1-CG 3.45Å; V468-F511 HydrophobicContact CG1-CZ 4.16Å; V468-K514 PolarHBondContact O-NZ 2.8Å; V468-L518 HydrophobicContact CG2-CD1 4.22Å |
| 469 | E | 79.1 | Confident | 79.3 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 29% | 0.285 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -46.2 | 129.8 | 172.6 | -72.2 | 177.1 | 169.6 | 0 | 0 | 112 | E465 R471 K514 | E465-E469 PolarHBondContact O-N 3.49Å; E469-R471 HydrophobicContact CB-CG 4.24Å; E469-R471 PolarHBondContact O-N 3.27Å; E469-R471 IonicContact OE2-CZ 2.87Å; E469-R471 IonicContact OE2-NE 3.61Å; E469-R471 PolarHBondContact OE2-NE 3.35Å; E469-R471 IonicContact OE2-NH2 3.3Å; E469-R471 PolarHBondContact OE2-NH2 3.09Å; E469-K514 PolarHBondContact O-NZ 3.25Å |
| 470 | D | 63.2 | Low | 79.3 | Confident | 159 Ų | 159 | 51.2 Ų | 51.2 | 85% | 0.85 | 27% | 0.266 | S | S | * | . | trans | -71.6 | 115.8 | 176.6 | -135.1 | 2.7 | 0 | 0 | 0 | 108.2 | V468 | V468-D470 PolarHBondContact O-N 3.45Š| ||
| 471 | R | 61.5 | Low | 79.2 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 11% | 0.109 | 26% | 0.262 | C | S | . | . | trans | -126 | 106.5 | -164 | -82.6 | 179.8 | -179.2 | -149 | -3.6 | 109.5 | A466 E469 S473 H474 | A466-R471 PolarHBondContact O-NE 2.74Å; E469-R471 HydrophobicContact CB-CG 4.24Å; E469-R471 PolarHBondContact O-N 3.27Å; E469-R471 IonicContact OE2-CZ 2.87Å; E469-R471 IonicContact OE2-NE 3.61Å; E469-R471 PolarHBondContact OE2-NE 3.35Å; E469-R471 IonicContact OE2-NH2 3.3Å; E469-R471 PolarHBondContact OE2-NH2 3.09Å; R471-S473 WeakPolarHBondContact CB-OG 3.43Å; R471-S473 WeakPolarHBondContact CG-OG 3.49Å; R471-S473 PolarHBondContact O-N 3.23Å; R471-H474 WeakPolarHBondContact CB-ND1 3.43Å; R471-H474 WeakPolarHBondContact O-CB 3.37Å; R471-H474 PolarHBondContact O-N 3.25Å; R471-H474 PolarHBondContact O-ND1 3.38Å | ||
| 472 | D | 52 | Low | 79.4 | Confident | 162 Ų | 162 | 48.6 Ų | 48.6 | 87% | 0.866 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -53.2 | -27.8 | 158.3 | -66.3 | -37.5 | 0 | 0 | 0 | 110.7 | H474 | D472-H474 PolarHBondContact O-N 3.34Š|
| 473 | S | 56.5 | Low | 79.6 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -70.9 | -0.5 | 175.5 | 53.3 | 0 | 0 | 0 | 0 | 115.5 | Y453 R471 H475 V476 D477 | Y453-S473 WeakPolarHBondContact O-CB 3.38Å; R471-S473 WeakPolarHBondContact CB-OG 3.43Å; R471-S473 WeakPolarHBondContact CG-OG 3.49Å; R471-S473 PolarHBondContact O-N 3.23Å; S473-H475 PolarHBondContact O-N 3.01Å; S473-H475 VanDerWaalsContact O-N 3.08Å; S473-V476 PolarHBondContact O-N 3.27Å; S473-D477 PolarHBondContact O-N 2.83Å |
| 474 | H | 63.3 | Low | 79.7 | Confident | 79 Ų | 79 | 46.4 Ų | 46.4 | 37% | 0.366 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -54.8 | -27.2 | 170.8 | -93.7 | 80.6 | 0 | 0 | 0 | 112.7 | R471 D472 S478 | R471-H474 WeakPolarHBondContact CB-ND1 3.43Å; R471-H474 WeakPolarHBondContact O-CB 3.37Å; R471-H474 PolarHBondContact O-N 3.25Å; R471-H474 PolarHBondContact O-ND1 3.38Å; D472-H474 PolarHBondContact O-N 3.34Å; H474-S478 WeakPolarHBondContact O-CA 3.45Å; H474-S478 WeakPolarHBondContact O-CB 3.26Å; H474-S478 PolarHBondContact O-N 2.89Å |
| 475 | H | 67.7 | Low | 79.8 | Confident | 120 Ų | 120 | 46 Ų | 46 | 56% | 0.556 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -71.8 | -34.4 | 176.7 | -66.7 | -57.5 | 0 | 0 | 0 | 113 | R450 S473 | R450-H475 PolarHBondContact NH1-CD2 3.45Å; R450-H475 VanDerWaalsContact NH1-CD2 3.35Å; R450-H475 PolarHBondContact NH1-CE1 3.42Å; R450-H475 VanDerWaalsContact NH1-CE1 3.26Å; R450-H475 PolarHBondContact NH1-ND1 2.97Å; R450-H475 VanDerWaalsContact NH1-ND1 3.17Å; R450-H475 PolarHBondContact NH1-NE2 3.29Å; S473-H475 PolarHBondContact O-N 3.01Å; S473-H475 VanDerWaalsContact O-N 3.08Å |
| 476 | V | 74.3 | Confident | 80.2 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 13% | 0.127 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -37.2 | -177 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | R445 V447 V454 S473 | R445-V476 HydrophobicContact CB-CG1 3.98Å; V447-V476 HydrophobicContact CG2-CG1 3.89Å; V454-V476 HydrophobicContact CG2-CG1 3.69Å; S473-V476 PolarHBondContact O-N 3.27Å |
| 477 | D | 80.5 | Confident | 80.5 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.064 | 22% | 0.221 | C | C | . | . | trans | -120.6 | 58.6 | 177.7 | -167.9 | 1.2 | 0 | 0 | 0 | 112.2 | V454 S473 R479 Y480 R1122 | V454-D477 HydrophobicContact CG1-CB 4.36Å; V454-D477 HydrophobicContact CG2-CB 4.17Å; S473-D477 PolarHBondContact O-N 2.83Å; D477-R479 PolarHBondContact O-N 3.15Å; D477-Y480 PolarHBondContact O-N 2.54Å; D477-Y480 PolarHBondContact OD1-N 3.17Å; D477-Y480 VanDerWaalsContact OD1-N 3.08Å; D477-Y480 WeakPolarHBondContact OD2-CB 3.41Å; D477-R1122 VanDerWaalsContact CG-NH1 3.29Å; D477-R1122 IonicContact OD1-CZ 2.95Å; D477-R1122 IonicContact OD1-NH1 3.55Å; D477-R1122 PolarHBondContact OD1-NH1 3.28Å; D477-R1122 IonicContact OD1-NH2 2.65Å; D477-R1122 IonicContact OD2-CZ 2.92Å; D477-R1122 IonicContact OD2-NH1 3.67Å; D477-R1122 PolarHBondContact OD2-NH1 3.43Å; D477-R1122 IonicContact OD2-NH2 2.65Å; D477-R1122 PolarHBondContact OD2-NH2 2.89Å | ||
| 478 | S | 82.5 | Confident | 80.9 | Confident | 70 Ų | 70 | 44 Ų | 44 | 49% | 0.49 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -12.2 | -179.5 | 176.2 | 0 | 0 | 0 | 0 | 113.9 | H474 | H474-S478 WeakPolarHBondContact O-CA 3.45Å; H474-S478 WeakPolarHBondContact O-CB 3.26Å; H474-S478 PolarHBondContact O-N 2.89Å |
| 479 | R | 89.1 | Confident | 81.3 | Confident | 109 Ų | 109 | 45.2 Ų | 45.2 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -8.6 | -171.6 | -67.9 | -57.2 | -172 | 139 | 8.2 | 114.2 | D477 V481 E482 D483 R1129 | D477-R479 PolarHBondContact O-N 3.15Å; R479-V481 VanDerWaalsContact C-N 3.28Å; R479-V481 PolarHBondContact O-N 2.84Å; R479-V481 VanDerWaalsContact O-N 3.14Å; R479-E482 WeakPolarHBondContact CD-OE2 3.17Å; R479-E482 IonicContact CZ-OE2 2.57Å; R479-E482 IonicContact NE-OE2 2.68Å; R479-E482 IonicContact NH1-OE1 3.31Å; R479-E482 IonicContact NH1-OE2 3.75Å; R479-E482 PolarHBondContact NH1-OE2 3.38Å; R479-E482 PolarHBondContact O-N 3.47Å; R479-D483 PolarHBondContact O-N 3.16Å; R479-R1129 VanDerWaalsContact CB-NH1 3.28Å; R479-R1129 VanDerWaalsContact CD-NH1 3.33Å; R479-R1129 VanDerWaalsContact CG-NH1 3.34Å |
| 480 | Y | 91.5 | Very high | 82 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -43.6 | -50.3 | 179.4 | -177.3 | -106 | 0 | 0 | 0 | 113.9 | L455 L463 A466 L467 D477 E482 D483 M484 F1118 | L455-Y480 HydrophobicContact CB-CE2 4.49Å; L455-Y480 HydrophobicContact CD2-CE2 4.09Å; L463-Y480 WeakPolarHBondContact CA-OH 3.32Å; L463-Y480 HydrophobicContact CD2-CE2 4.48Å; L463-Y480 PolarHBondContact O-OH 3.41Å; A466-Y480 HydrophobicContact CB-CE1 3.81Å; A466-Y480 WeakPolarHBondContact CB-OH 3.16Å; L467-Y480 HydrophobicContact CD2-CD1 4.15Å; L467-Y480 HydrophobicContact CD2-CE1 3.83Å; L467-Y480 HydrophobicContact CG-CE1 4.27Å; D477-Y480 PolarHBondContact O-N 2.54Å; D477-Y480 PolarHBondContact OD1-N 3.17Å; D477-Y480 VanDerWaalsContact OD1-N 3.08Å; D477-Y480 WeakPolarHBondContact OD2-CB 3.41Å; Y480-E482 PolarHBondContact O-N 2.99Å; Y480-D483 PolarHBondContact O-N 2.86Å; Y480-M484 HydrophobicContact CE1-CB 4.48Å; Y480-M484 WeakPolarHBondContact O-CB 3.42Å; Y480-M484 PolarHBondContact O-N 3.27Å; Y480-F1118 HydrophobicContact CD2-CD1 4.22Å; Y480-F1118 AromaticContact CD2-CE1 3.48Å; Y480-F1118 HydrophobicContact CD2-CE1 3.48Å; Y480-F1118 VanDerWaalsContact CD2-CE1 3.48Å; Y480-F1118 AromaticContact CD2-CZ 3.9Å; Y480-F1118 HydrophobicContact CD2-CZ 3.9Å; Y480-F1118 AromaticContact CE2-CD1 3.97Å; Y480-F1118 HydrophobicContact CE2-CD1 3.97Å; Y480-F1118 AromaticContact CE2-CE1 3.47Å; Y480-F1118 HydrophobicContact CE2-CE1 3.47Å; Y480-F1118 VanDerWaalsContact CE2-CE1 3.47Å; Y480-F1118 HydrophobicContact CE2-CE2 4.29Å; Y480-F1118 AromaticContact CE2-CZ 3.65Å; Y480-F1118 HydrophobicContact CE2-CZ 3.65Å |
| 481 | V | 91.3 | Very high | 83.4 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 15% | 0.152 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | -177.4 | 175 | 0 | 0 | 0 | 0 | 111.6 | L467 R479 L485 L518 L521 | L467-V481 HydrophobicContact CD2-CB 4.47Å; L467-V481 HydrophobicContact CD2-CG1 4.48Å; L467-V481 HydrophobicContact CD2-CG2 4.16Å; R479-V481 VanDerWaalsContact C-N 3.28Å; R479-V481 PolarHBondContact O-N 2.84Å; R479-V481 VanDerWaalsContact O-N 3.14Å; V481-L485 HydrophobicContact CG1-CD1 3.9Å; V481-L485 HydrophobicContact CG1-CG 4.37Å; V481-L485 WeakPolarHBondContact O-CB 3.41Å; V481-L485 WeakPolarHBondContact O-CG 3.13Å; V481-L485 PolarHBondContact O-N 2.88Å; V481-L518 HydrophobicContact CB-CD2 4.3Å; V481-L518 HydrophobicContact CG1-CD2 3.34Å; V481-L518 HydrophobicContact CG2-CD2 3.92Å; V481-L521 HydrophobicContact CG1-CD2 3.7Å |
| 482 | E | 92.6 | Very high | 84.8 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.3 | -43.1 | 179.6 | -63.7 | -178.3 | 143.3 | 0 | 0 | 111.3 | R479 Y480 M484 L485 L486 L521 R751 R1129 | R479-E482 WeakPolarHBondContact CD-OE2 3.17Å; R479-E482 IonicContact CZ-OE2 2.57Å; R479-E482 IonicContact NE-OE2 2.68Å; R479-E482 IonicContact NH1-OE1 3.31Å; R479-E482 IonicContact NH1-OE2 3.75Å; R479-E482 PolarHBondContact NH1-OE2 3.38Å; R479-E482 PolarHBondContact O-N 3.47Å; Y480-E482 PolarHBondContact O-N 2.99Å; E482-M484 VanDerWaalsContact C-N 3.32Å; E482-L485 PolarHBondContact O-N 3.07Å; E482-L486 WeakPolarHBondContact O-CB 3.43Å; E482-L486 PolarHBondContact O-N 3.14Å; E482-L521 HydrophobicContact CG-CD2 4.3Å; E482-R751 VanDerWaalsContact CD-NH1 3.28Å; E482-R751 IonicContact OE1-CZ 2.72Å; E482-R751 IonicContact OE1-NH1 2.7Å; E482-R751 PolarHBondContact OE1-NH1 2.67Å; E482-R751 IonicContact OE1-NH2 3.1Å; E482-R751 PolarHBondContact OE1-NH2 2.56Å; E482-R751 IonicContact OE2-NH1 3.72Å; E482-R1129 IonicContact OE2-NH1 3.44Å |
| 483 | D | 95 | Very high | 86.4 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.4 | -38.8 | -178 | -62 | -8.9 | 0 | 0 | 0 | 109.6 | R479 Y480 L486 M487 F1118 R1122 A1125 R1129 | R479-D483 PolarHBondContact O-N 3.16Å; Y480-D483 PolarHBondContact O-N 2.86Å; D483-L486 PolarHBondContact O-N 3.44Å; D483-M487 WeakPolarHBondContact O-CB 3.48Å; D483-M487 VanDerWaalsContact O-CG 3.23Å; D483-M487 WeakPolarHBondContact O-CG 3.24Å; D483-M487 PolarHBondContact O-N 3.06Å; D483-F1118 HydrophobicContact CB-CE1 4.47Å; D483-F1118 HydrophobicContact CB-CZ 4.25Å; D483-R1122 IonicContact OD2-NH1 2.87Å; D483-A1125 HydrophobicContact CB-CB 4.05Å; D483-R1129 IonicContact OD1-CZ 2.96Å; D483-R1129 IonicContact OD1-NE 3.29Å; D483-R1129 IonicContact OD1-NH1 3.04Å; D483-R1129 PolarHBondContact OD1-NH1 2.7Å; D483-R1129 IonicContact OD1-NH2 2.77Å; D483-R1129 PolarHBondContact OD1-NH2 3.39Å; D483-R1129 VanDerWaalsContact OD1-NH2 3.13Å; D483-R1129 IonicContact OD2-CZ 3.92Å; D483-R1129 IonicContact OD2-NH1 3.87Å; D483-R1129 IonicContact OD2-NH2 2.68Å; D483-R1129 PolarHBondContact OD2-NH2 2.86Å; D483-R1129 VanDerWaalsContact OD2-NH2 3.13Å |
| 484 | M | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.4 | -47.9 | 173.8 | 179.2 | 50.2 | -173.9 | 0 | 0 | 111.8 | L463 I464 L467 Y480 E482 L486 M487 Y488 F491 I492 M498 F1118 | L463-M484 HydrophobicContact CB-CE 4.26Å; L463-M484 HydrophobicContact CB-SD 4.45Å; I464-M484 HydrophobicContact CG1-CE 4.04Å; L467-M484 HydrophobicContact CD1-CG 4.24Å; L467-M484 HydrophobicContact CD2-CB 4.11Å; L467-M484 HydrophobicContact CD2-CG 3.9Å; L467-M484 HydrophobicContact CG-CG 4.31Å; Y480-M484 HydrophobicContact CE1-CB 4.48Å; Y480-M484 WeakPolarHBondContact O-CB 3.42Å; Y480-M484 PolarHBondContact O-N 3.27Å; E482-M484 VanDerWaalsContact C-N 3.32Å; M484-L486 PolarHBondContact O-N 3.42Å; M484-M487 PolarHBondContact O-N 3.06Å; M484-Y488 WeakPolarHBondContact O-CB 3.41Å; M484-Y488 PolarHBondContact O-N 3.41Å; M484-F491 HydrophobicContact CE-CE2 3.95Å; M484-F491 HydrophobicContact CE-CZ 3.59Å; M484-F491 HydrophobicContact SD-CE1 4.32Å; M484-F491 HydrophobicContact SD-CE2 4.46Å; M484-F491 HydrophobicContact SD-CZ 3.55Å; M484-F491 VanDerWaalsContact SD-CZ 3.55Å; M484-I492 HydrophobicContact CE-CD1 4.18Å; M484-M498 HydrophobicContact CE-CE 3.62Å; M484-M498 HydrophobicContact CE-SD 4.12Å; M484-M498 HydrophobicContact CG-CE 3.97Å; M484-F1118 HydrophobicContact CB-CE2 4.24Å; M484-F1118 HydrophobicContact CB-CZ 3.99Å; M484-F1118 HydrophobicContact SD-CE2 4.02Å |
| 485 | L | 94.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.6 | -25.9 | 178.8 | -69.4 | 177 | 0 | 0 | 0 | 113.2 | V481 E482 Y488 M498 L521 W522 | V481-L485 HydrophobicContact CG1-CD1 3.9Å; V481-L485 HydrophobicContact CG1-CG 4.37Å; V481-L485 WeakPolarHBondContact O-CB 3.41Å; V481-L485 WeakPolarHBondContact O-CG 3.13Å; V481-L485 PolarHBondContact O-N 2.88Å; E482-L485 PolarHBondContact O-N 3.07Å; L485-Y488 VanDerWaalsContact O-CD1 3.26Å; L485-Y488 WeakPolarHBondContact O-CD1 3.41Å; L485-Y488 WeakPolarHBondContact O-CE1 3.19Å; L485-M498 HydrophobicContact CD2-CE 3.89Å; L485-L521 HydrophobicContact CD1-CD2 4.29Å; L485-L521 HydrophobicContact CD1-CG 4.3Å; L485-W522 HydrophobicContact CD1-CB 3.93Å; L485-W522 HydrophobicContact CD1-CG 4.37Å; L485-W522 HydrophobicContact CD2-CB 4.06Å; L485-W522 HydrophobicContact CD2-CD2 3.55Å; L485-W522 HydrophobicContact CD2-CE3 3.59Å; L485-W522 HydrophobicContact CD2-CG 3.78Å; L485-W522 HydrophobicContact CD2-CZ3 4.21Å |
| 486 | L | 95.5 | Very high | 90.4 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -79.8 | -44.1 | 173.7 | 177.8 | 58.4 | 0 | 0 | 0 | 111.9 | E482 D483 M484 P961 T962 V965 A1125 I1128 | E482-L486 WeakPolarHBondContact O-CB 3.43Å; E482-L486 PolarHBondContact O-N 3.14Å; D483-L486 PolarHBondContact O-N 3.44Å; M484-L486 PolarHBondContact O-N 3.42Å; L486-P961 HydrophobicContact CD1-CB 3.78Å; L486-T962 HydrophobicContact CD1-CG2 4.12Å; L486-V965 HydrophobicContact CD1-CG2 3.94Å; L486-V965 HydrophobicContact CG-CG2 4.09Å; L486-A1125 HydrophobicContact CD2-CB 4.09Å; L486-I1128 HydrophobicContact CD2-CD1 4.32Å; L486-I1128 HydrophobicContact CD2-CG2 4.31Å |
| 487 | M | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -99.6 | -8.8 | -166.3 | -58.9 | -59.9 | -60.3 | 0 | 0 | 114.8 | D483 M484 R489 T490 V965 F969 L1121 I1124 A1125 | D483-M487 WeakPolarHBondContact O-CB 3.48Å; D483-M487 VanDerWaalsContact O-CG 3.23Å; D483-M487 WeakPolarHBondContact O-CG 3.24Å; D483-M487 PolarHBondContact O-N 3.06Å; M484-M487 PolarHBondContact O-N 3.06Å; M487-R489 PolarHBondContact O-N 3.02Å; M487-T490 HydrophobicContact CE-CG2 3.88Å; M487-T490 PolarHBondContact O-N 2.96Å; M487-T490 PolarHBondContact O-OG1 3.42Å; M487-V965 HydrophobicContact CE-CG1 4.02Å; M487-V965 HydrophobicContact CE-CG2 4.4Å; M487-V965 HydrophobicContact SD-CG1 4.11Å; M487-V965 HydrophobicContact SD-CG2 3.59Å; M487-V965 VanDerWaalsContact SD-CG2 3.59Å; M487-F969 HydrophobicContact CE-CE2 3.84Å; M487-F969 HydrophobicContact CE-CZ 4.21Å; M487-L1121 HydrophobicContact CB-CB 3.95Å; M487-L1121 HydrophobicContact CB-CD1 4.13Å; M487-L1121 HydrophobicContact CB-CG 4.45Å; M487-L1121 HydrophobicContact CE-CB 4.11Å; M487-L1121 HydrophobicContact CE-CD2 3.6Å; M487-L1121 HydrophobicContact CE-CG 4.38Å; M487-L1121 HydrophobicContact CG-CB 3.98Å; M487-I1124 HydrophobicContact CE-CB 4.22Å; M487-I1124 HydrophobicContact CE-CD1 4.41Å; M487-I1124 HydrophobicContact CE-CG2 3.96Å; M487-I1124 HydrophobicContact SD-CG2 4.22Å; M487-A1125 HydrophobicContact CG-CB 4.2Å |
| 488 | Y | 94.5 | Very high | 91.8 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -52 | -34.8 | -178.4 | 79.7 | -86.5 | 0 | 0 | 0 | 113 | M484 L485 T490 F491 I492 A495 M498 W522 D529 | M484-Y488 WeakPolarHBondContact O-CB 3.41Å; M484-Y488 PolarHBondContact O-N 3.41Å; L485-Y488 VanDerWaalsContact O-CD1 3.26Å; L485-Y488 WeakPolarHBondContact O-CD1 3.41Å; L485-Y488 WeakPolarHBondContact O-CE1 3.19Å; Y488-T490 PolarHBondContact O-N 3.19Å; Y488-F491 PolarHBondContact O-N 3.33Å; Y488-I492 HydrophobicContact CD2-CB 4.06Å; Y488-I492 HydrophobicContact CD2-CD1 4.45Å; Y488-I492 HydrophobicContact CD2-CG2 4.38Å; Y488-I492 WeakPolarHBondContact O-CB 3.43Å; Y488-I492 PolarHBondContact O-N 2.88Å; Y488-A495 HydrophobicContact CE2-CB 3.68Å; Y488-A495 WeakPolarHBondContact OH-CB 3.33Å; Y488-M498 HydrophobicContact CD1-SD 4.06Å; Y488-M498 HydrophobicContact CD2-SD 3.81Å; Y488-M498 HydrophobicContact CG-SD 3.55Å; Y488-M498 VanDerWaalsContact CG-SD 3.55Å; Y488-W522 HydrophobicContact CD1-CZ2 4.23Å; Y488-W522 HydrophobicContact CE1-CH2 4.41Å; Y488-W522 AromaticContact CE1-CZ2 3.54Å; Y488-W522 HydrophobicContact CE1-CZ2 3.54Å; Y488-W522 HydrophobicContact CE2-CZ2 4.37Å; Y488-W522 AromaticContact CZ-CZ2 3.64Å; Y488-D529 PolarHBondContact OH-OD2 2.95Å |
| 489 | R | 93 | Very high | 92.4 | Very high | 30 Ų | 30 | 28.5 Ų | 28.5 | 11% | 0.113 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -58.7 | -15.9 | 179.6 | 66.6 | 177.3 | 68.8 | -133.9 | -14.5 | 114.8 | M487 F491 D529 V965 D966 L971 | M487-R489 PolarHBondContact O-N 3.02Å; R489-F491 VanDerWaalsContact C-N 3.34Å; R489-D529 IonicContact CZ-OD1 3.64Å; R489-D529 IonicContact NH2-OD1 2.88Å; R489-D529 PolarHBondContact NH2-OD1 3.25Å; R489-D529 IonicContact NH2-OD2 3.41Å; R489-D529 PolarHBondContact NH2-OD2 3.01Å; R489-V965 HydrophobicContact CG-CG1 3.89Å; R489-D966 WeakPolarHBondContact CD-OD1 3.37Å; R489-D966 IonicContact CZ-OD1 3.73Å; R489-D966 IonicContact NE-OD1 3.86Å; R489-D966 IonicContact NH1-OD1 3.51Å; R489-D966 PolarHBondContact NH1-OD1 2.84Å; R489-D966 IonicContact NH1-OD2 2.8Å; R489-D966 PolarHBondContact NH1-OD2 3.12Å; R489-L971 HydrophobicContact CB-CD1 4.23Å; R489-L971 HydrophobicContact CG-CD1 3.76Å |
| 490 | T | 92.6 | Very high | 92.6 | Very high | 17 Ų | 17 | 27.2 Ų | 27.2 | 10% | 0.104 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -83.9 | -11.7 | 178.1 | 69.3 | 0 | 0 | 0 | 0 | 112.9 | M487 Y488 V965 F969 L971 | M487-T490 HydrophobicContact CE-CG2 3.88Å; M487-T490 PolarHBondContact O-N 2.96Å; M487-T490 PolarHBondContact O-OG1 3.42Å; Y488-T490 PolarHBondContact O-N 3.19Å; T490-V965 HydrophobicContact CG2-CG1 3.57Å; T490-F969 HydrophobicContact CG2-CD1 3.93Å; T490-F969 HydrophobicContact CG2-CD2 3.74Å; T490-F969 HydrophobicContact CG2-CE1 3.91Å; T490-F969 HydrophobicContact CG2-CE2 3.73Å; T490-F969 HydrophobicContact CG2-CG 3.85Å; T490-F969 HydrophobicContact CG2-CZ 3.81Å; T490-L971 HydrophobicContact CG2-CD1 4.47Å |
| 491 | F | 93 | Very high | 92.6 | Very high | 18 Ų | 18 | 29.2 Ų | 29.2 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.5 | 1.5 | -178.9 | 62.6 | -92.8 | 0 | 0 | 0 | 114.2 | P460 L463 M484 Y488 R489 W1110 V1116 L1121 | P460-F491 HydrophobicContact CB-CD2 3.91Å; P460-F491 HydrophobicContact CB-CE2 4.24Å; P460-F491 HydrophobicContact CG-CD2 4.08Å; L463-F491 HydrophobicContact CB-CE2 4.34Å; L463-F491 HydrophobicContact CB-CZ 4.37Å; L463-F491 HydrophobicContact CD1-CD2 4.3Å; L463-F491 HydrophobicContact CD1-CE1 4.14Å; L463-F491 HydrophobicContact CD1-CE2 3.58Å; L463-F491 HydrophobicContact CD1-CZ 3.46Å; L463-F491 VanDerWaalsContact CD1-CZ 3.46Å; M484-F491 HydrophobicContact CE-CE2 3.95Å; M484-F491 HydrophobicContact CE-CZ 3.59Å; M484-F491 HydrophobicContact SD-CE1 4.32Å; M484-F491 HydrophobicContact SD-CE2 4.46Å; M484-F491 HydrophobicContact SD-CZ 3.55Å; M484-F491 VanDerWaalsContact SD-CZ 3.55Å; Y488-F491 PolarHBondContact O-N 3.33Å; R489-F491 VanDerWaalsContact C-N 3.34Å; F491-W1110 HydrophobicContact CB-CH2 4.06Å; F491-W1110 HydrophobicContact CB-CZ2 3.67Å; F491-V1116 HydrophobicContact CB-CG1 4.41Å; F491-V1116 HydrophobicContact CB-CG2 3.89Å; F491-V1116 HydrophobicContact CD1-CG1 3.83Å; F491-V1116 HydrophobicContact CD2-CG2 4.09Å; F491-V1116 HydrophobicContact CE1-CG1 4.21Å; F491-V1116 HydrophobicContact CG-CG1 4.07Å; F491-V1116 HydrophobicContact CG-CG2 3.93Å; F491-L1121 HydrophobicContact CD1-CD1 3.76Å; F491-L1121 HydrophobicContact CE1-CD1 3.63Å |
| 492 | I | 90.6 | Very high | 92.7 | Very high | 18 Ų | 18 | 28.1 Ų | 28.1 | 9% | 0.092 | 15% | 0.146 | C | C | . | . | trans | -129.4 | 118.2 | 171.3 | -57.7 | 178.1 | 0 | 0 | 0 | 107.9 | I464 M484 Y488 D494 M498 | I464-I492 HydrophobicContact CD1-CD1 3.73Å; I464-I492 HydrophobicContact CG1-CD1 4.01Å; M484-I492 HydrophobicContact CE-CD1 4.18Å; Y488-I492 HydrophobicContact CD2-CB 4.06Å; Y488-I492 HydrophobicContact CD2-CD1 4.45Å; Y488-I492 HydrophobicContact CD2-CG2 4.38Å; Y488-I492 WeakPolarHBondContact O-CB 3.43Å; Y488-I492 PolarHBondContact O-N 2.88Å; I492-D494 WeakPolarHBondContact CG2-O 3.25Å; I492-M498 HydrophobicContact CD1-CB 4.34Å; I492-M498 HydrophobicContact CD1-SD 4.42Å | ||
| 493 | D | 86.8 | Confident | 92.7 | Very high | 174 Ų | 174 | 28.4 Ų | 28.4 | 93% | 0.93 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -74.5 | -40.2 | -176.5 | -57.7 | -44.7 | 0 | 0 | 0 | 113.3 | ||
| 494 | D | 88.1 | Confident | 92.6 | Very high | 64 Ų | 64 | 31.9 Ų | 31.9 | 34% | 0.342 | 17% | 0.172 | S | C | . | . | trans | -111.2 | 108.9 | -179.5 | -175.3 | 9.1 | 0 | 0 | 0 | 111.4 | I492 A496 V497 K535 | I492-D494 WeakPolarHBondContact CG2-O 3.25Å; D494-A496 PolarHBondContact O-N 2.87Å; D494-A496 VanDerWaalsContact O-N 3.12Å; D494-A496 VanDerWaalsContact OD1-CB 3.27Å; D494-A496 WeakPolarHBondContact OD1-CB 3.35Å; D494-A496 PolarHBondContact OD1-N 3.02Å; D494-V497 HydrophobicContact CB-CG2 4.05Å; D494-V497 WeakPolarHBondContact O-CB 3.42Å; D494-V497 PolarHBondContact O-N 2.72Å; D494-K535 IonicContact OD2-NZ 2.95Å | ||
| 495 | A | 90.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.9 | -28.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y488 V497 M498 L499 W522 M536 | Y488-A495 HydrophobicContact CE2-CB 3.68Å; Y488-A495 WeakPolarHBondContact OH-CB 3.33Å; A495-V497 VanDerWaalsContact C-N 3.28Å; A495-V497 PolarHBondContact O-N 3.04Å; A495-M498 PolarHBondContact O-N 3.31Å; A495-L499 PolarHBondContact O-N 3.07Å; A495-W522 HydrophobicContact CB-CZ2 4.37Å; A495-M536 VanDerWaalsContact C-SD 3.58Å; A495-M536 HydrophobicContact CB-CE 3.86Å; A495-M536 HydrophobicContact CB-CG 4.41Å; A495-M536 HydrophobicContact CB-SD 3.87Å |
| 496 | A | 91.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.7 | -31.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D494 M498 L499 E500 K535 M536 L539 | D494-A496 PolarHBondContact O-N 2.87Å; D494-A496 VanDerWaalsContact O-N 3.12Å; D494-A496 VanDerWaalsContact OD1-CB 3.27Å; D494-A496 WeakPolarHBondContact OD1-CB 3.35Å; D494-A496 PolarHBondContact OD1-N 3.02Å; A496-M498 VanDerWaalsContact C-N 3.33Å; A496-M498 PolarHBondContact O-N 3.35Å; A496-L499 PolarHBondContact O-N 3.2Å; A496-E500 VanDerWaalsContact O-CB 3.3Å; A496-E500 WeakPolarHBondContact O-CB 3.26Å; A496-E500 VanDerWaalsContact O-CG 3.24Å; A496-E500 WeakPolarHBondContact O-CG 3.41Å; A496-E500 PolarHBondContact O-N 2.95Å; A496-K535 HydrophobicContact CB-CD 3.56Å; A496-K535 HydrophobicContact CB-CG 3.95Å; A496-M536 VanDerWaalsContact CA-SD 3.58Å; A496-M536 HydrophobicContact CB-SD 4.14Å; A496-L539 HydrophobicContact CB-CD1 3.92Å |
| 497 | V | 91.7 | Very high | 91.9 | Very high | 77 Ų | 77 | 39 Ų | 39 | 47% | 0.467 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 176.5 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | D494 A495 K501 | D494-V497 HydrophobicContact CB-CG2 4.05Å; D494-V497 WeakPolarHBondContact O-CB 3.42Å; D494-V497 PolarHBondContact O-N 2.72Å; A495-V497 VanDerWaalsContact C-N 3.28Å; A495-V497 PolarHBondContact O-N 3.04Å; V497-K501 WeakPolarHBondContact O-CB 3.48Å; V497-K501 PolarHBondContact O-N 3.22Å |
| 498 | M | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 176.5 | -178.6 | -177.6 | -178.8 | 0 | 0 | 111.3 | I464 L467 M484 L485 Y488 I492 A495 A496 K501 I502 W522 | I464-M498 HydrophobicContact CD1-CG 4.48Å; I464-M498 HydrophobicContact CG1-CG 4.35Å; I464-M498 HydrophobicContact CG2-CG 4.38Å; L467-M498 HydrophobicContact CD1-CE 3.58Å; M484-M498 HydrophobicContact CE-CE 3.62Å; M484-M498 HydrophobicContact CE-SD 4.12Å; M484-M498 HydrophobicContact CG-CE 3.97Å; L485-M498 HydrophobicContact CD2-CE 3.89Å; Y488-M498 HydrophobicContact CD1-SD 4.06Å; Y488-M498 HydrophobicContact CD2-SD 3.81Å; Y488-M498 HydrophobicContact CG-SD 3.55Å; Y488-M498 VanDerWaalsContact CG-SD 3.55Å; I492-M498 HydrophobicContact CD1-CB 4.34Å; I492-M498 HydrophobicContact CD1-SD 4.42Å; A495-M498 PolarHBondContact O-N 3.31Å; A496-M498 VanDerWaalsContact C-N 3.33Å; A496-M498 PolarHBondContact O-N 3.35Å; M498-K501 PolarHBondContact O-N 3.13Å; M498-I502 HydrophobicContact CE-CD1 4.06Å; M498-I502 HydrophobicContact CG-CD1 3.95Å; M498-I502 VanDerWaalsContact O-CG1 3.29Å; M498-I502 WeakPolarHBondContact O-CG1 3.13Å; M498-I502 PolarHBondContact O-N 3.27Å; M498-W522 HydrophobicContact CB-CH2 4.16Å; M498-W522 HydrophobicContact CE-CH2 4.46Å; M498-W522 HydrophobicContact CE-CZ3 4.37Å; M498-W522 HydrophobicContact CG-CH2 3.97Å; M498-W522 HydrophobicContact CG-CZ3 4.08Å; M498-W522 HydrophobicContact SD-CH2 3.59Å; M498-W522 VanDerWaalsContact SD-CH2 3.59Å; M498-W522 HydrophobicContact SD-CZ2 4.34Å; M498-W522 HydrophobicContact SD-CZ3 3.99Å |
| 499 | L | 94.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 178.4 | -176.9 | 59.9 | 0 | 0 | 0 | 112.1 | A495 A496 K501 I502 L503 V519 W522 F530 M536 L539 | A495-L499 PolarHBondContact O-N 3.07Å; A496-L499 PolarHBondContact O-N 3.2Å; L499-K501 VanDerWaalsContact C-N 3.33Å; L499-K501 PolarHBondContact O-N 3.34Å; L499-I502 PolarHBondContact O-N 2.86Å; L499-L503 HydrophobicContact CD1-CD1 4.17Å; L499-L503 HydrophobicContact CD1-CD2 4.42Å; L499-L503 HydrophobicContact CD1-CG 4.01Å; L499-L503 HydrophobicContact CG-CD1 3.97Å; L499-L503 HydrophobicContact CG-CG 4.23Å; L499-L503 WeakPolarHBondContact O-CB 3.12Å; L499-L503 VanDerWaalsContact O-CG 3.25Å; L499-L503 WeakPolarHBondContact O-CG 3.4Å; L499-L503 PolarHBondContact O-N 2.99Å; L499-V519 HydrophobicContact CD1-CG2 4.09Å; L499-W522 HydrophobicContact CB-CZ3 4.24Å; L499-W522 HydrophobicContact CD1-CZ3 4.43Å; L499-F530 HydrophobicContact CD2-CD1 4.5Å; L499-F530 HydrophobicContact CD2-CE1 3.78Å; L499-M536 HydrophobicContact CB-CE 4.37Å; L499-M536 HydrophobicContact CB-SD 4.01Å; L499-M536 HydrophobicContact CD2-CE 3.96Å; L499-M536 HydrophobicContact CD2-SD 3.73Å; L499-L539 HydrophobicContact CB-CD1 4.33Å; L499-L539 HydrophobicContact CD2-CB 3.6Å; L499-L539 HydrophobicContact CD2-CD1 4Å; L499-L539 HydrophobicContact CD2-CG 4.47Å; L499-L539 HydrophobicContact CG-CB 4.28Å; L499-L539 HydrophobicContact CG-CD1 4.28Å |
| 500 | E | 94.1 | Very high | 90.8 | Very high | 83 Ų | 83 | 48.1 Ų | 48.1 | 39% | 0.388 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.1 | -45 | 175.1 | -77.2 | 168.7 | -166.5 | 0 | 0 | 111.3 | A496 L503 S504 K535 L539 | A496-E500 VanDerWaalsContact O-CB 3.3Å; A496-E500 WeakPolarHBondContact O-CB 3.26Å; A496-E500 VanDerWaalsContact O-CG 3.24Å; A496-E500 WeakPolarHBondContact O-CG 3.41Å; A496-E500 PolarHBondContact O-N 2.95Å; E500-L503 PolarHBondContact O-N 3.3Å; E500-S504 PolarHBondContact O-N 3.47Å; E500-K535 WeakPolarHBondContact OE1-CE 3.43Å; E500-K535 IonicContact OE1-NZ 3.13Å; E500-K535 PolarHBondContact OE1-NZ 3.39Å; E500-L539 HydrophobicContact CG-CD1 3.77Å; E500-L539 HydrophobicContact CG-CD2 3.81Å; E500-L539 HydrophobicContact CG-CG 4.47Å |
| 501 | K | 91.3 | Very high | 90.6 | Very high | 49 Ų | 49 | 50.1 Ų | 50.1 | 21% | 0.213 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 175.6 | -168.5 | 171.4 | -179.2 | -177.7 | 0 | 111.2 | S461 I464 E465 V497 M498 L499 L503 S504 W505 | S461-K501 PolarHBondContact O-NZ 3.03Å; I464-K501 HydrophobicContact CB-CD 4.15Å; I464-K501 HydrophobicContact CD1-CD 4.21Å; I464-K501 HydrophobicContact CG2-CB 4.28Å; I464-K501 HydrophobicContact CG2-CD 3.83Å; I464-K501 HydrophobicContact CG2-CG 4.12Å; E465-K501 IonicContact OE1-NZ 2.71Å; E465-K501 PolarHBondContact OE1-NZ 3.46Å; V497-K501 WeakPolarHBondContact O-CB 3.48Å; V497-K501 PolarHBondContact O-N 3.22Å; M498-K501 PolarHBondContact O-N 3.13Å; L499-K501 VanDerWaalsContact C-N 3.33Å; L499-K501 PolarHBondContact O-N 3.34Å; K501-L503 PolarHBondContact O-N 2.86Å; K501-S504 WeakPolarHBondContact O-CB 3.37Å; K501-S504 PolarHBondContact O-N 2.91Å; K501-S504 PolarHBondContact O-OG 2.94Å; K501-W505 HydrophobicContact CD-CH2 4.09Å; K501-W505 HydrophobicContact CG-CH2 3.69Å; K501-W505 HydrophobicContact CG-CZ2 4.13Å; K501-W505 HydrophobicContact CG-CZ3 4.08Å; K501-W505 VanDerWaalsContact O-CE3 3.22Å |
| 502 | I | 93.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.8 | -71.4 | 167.4 | 0 | 0 | 0 | 112 | I464 L467 M498 L499 S504 W505 V515 V519 W522 | I464-I502 HydrophobicContact CG2-CG1 4.37Å; L467-I502 HydrophobicContact CD1-CD1 3.93Å; L467-I502 HydrophobicContact CD1-CG1 4.34Å; M498-I502 HydrophobicContact CE-CD1 4.06Å; M498-I502 HydrophobicContact CG-CD1 3.95Å; M498-I502 VanDerWaalsContact O-CG1 3.29Å; M498-I502 WeakPolarHBondContact O-CG1 3.13Å; M498-I502 PolarHBondContact O-N 3.27Å; L499-I502 PolarHBondContact O-N 2.86Å; I502-S504 VanDerWaalsContact C-N 3.28Å; I502-S504 PolarHBondContact O-N 3.02Å; I502-W505 HydrophobicContact CG1-CZ3 4.19Å; I502-W505 PolarHBondContact O-N 3.45Å; I502-V515 HydrophobicContact CG2-CG1 3.89Å; I502-V519 HydrophobicContact CG2-CG2 4.18Å; I502-W522 HydrophobicContact CD1-CE3 4.38Å; I502-W522 HydrophobicContact CD1-CZ3 3.98Å |
| 503 | L | 93 | Very high | 90.4 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.6 | -25.1 | -179.5 | -67.7 | -179.7 | 0 | 0 | 0 | 112.8 | L499 E500 K501 W505 F506 V515 V519 L539 F543 | L499-L503 HydrophobicContact CD1-CD1 4.17Å; L499-L503 HydrophobicContact CD1-CD2 4.42Å; L499-L503 HydrophobicContact CD1-CG 4.01Å; L499-L503 HydrophobicContact CG-CD1 3.97Å; L499-L503 HydrophobicContact CG-CG 4.23Å; L499-L503 WeakPolarHBondContact O-CB 3.12Å; L499-L503 VanDerWaalsContact O-CG 3.25Å; L499-L503 WeakPolarHBondContact O-CG 3.4Å; L499-L503 PolarHBondContact O-N 2.99Å; E500-L503 PolarHBondContact O-N 3.3Å; K501-L503 PolarHBondContact O-N 2.86Å; L503-W505 PolarHBondContact O-N 3.49Å; L503-F506 WeakPolarHBondContact O-CB 3.36Å; L503-F506 PolarHBondContact O-N 3.35Å; L503-V515 HydrophobicContact CD2-CG1 4.43Å; L503-V519 HydrophobicContact CD2-CG2 4.19Å; L503-L539 HydrophobicContact CD1-CB 4.26Å; L503-F543 HydrophobicContact CD1-CB 4.25Å; L503-F543 HydrophobicContact CD2-CB 3.83Å; L503-F543 HydrophobicContact CD2-CD2 3.33Å; L503-F543 HydrophobicContact CD2-CE2 4.09Å; L503-F543 HydrophobicContact CD2-CG 3.67Å |
| 504 | S | 92.4 | Very high | 90.6 | Very high | 73 Ų | 73 | 48.5 Ų | 48.5 | 51% | 0.51 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.9 | -32.6 | 175.6 | 78 | 0 | 0 | 0 | 0 | 112.7 | E500 K501 I502 F506 | E500-S504 PolarHBondContact O-N 3.47Å; K501-S504 WeakPolarHBondContact O-CB 3.37Å; K501-S504 PolarHBondContact O-N 2.91Å; K501-S504 PolarHBondContact O-OG 2.94Å; I502-S504 VanDerWaalsContact C-N 3.28Å; I502-S504 PolarHBondContact O-N 3.02Å; S504-F506 VanDerWaalsContact C-N 3.27Å; S504-F506 PolarHBondContact O-N 3.35Å |
| 505 | W | 90.9 | Very high | 90.8 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 20% | 0.201 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -75.5 | -13.2 | 174.9 | -64.9 | -59.4 | 0 | 0 | 0 | 113.4 | I464 E465 V468 K501 I502 L503 A507 D508 F511 V515 | I464-W505 HydrophobicContact CG2-CH2 3.95Å; I464-W505 HydrophobicContact CG2-CZ3 4.03Å; E465-W505 HydrophobicContact CG-CH2 4.24Å; E465-W505 HydrophobicContact CG-CZ2 3.9Å; V468-W505 HydrophobicContact CB-CD2 4.3Å; V468-W505 HydrophobicContact CB-CE3 4.22Å; V468-W505 HydrophobicContact CG1-CB 4.47Å; V468-W505 HydrophobicContact CG1-CD2 4.44Å; V468-W505 HydrophobicContact CG1-CG 4.31Å; V468-W505 HydrophobicContact CG2-CD2 3.87Å; V468-W505 HydrophobicContact CG2-CE3 3.37Å; V468-W505 HydrophobicContact CG2-CG 4.41Å; V468-W505 HydrophobicContact CG2-CZ3 3.76Å; K501-W505 HydrophobicContact CD-CH2 4.09Å; K501-W505 HydrophobicContact CG-CH2 3.69Å; K501-W505 HydrophobicContact CG-CZ2 4.13Å; K501-W505 HydrophobicContact CG-CZ3 4.08Å; K501-W505 VanDerWaalsContact O-CE3 3.22Å; I502-W505 HydrophobicContact CG1-CZ3 4.19Å; I502-W505 PolarHBondContact O-N 3.45Å; L503-W505 PolarHBondContact O-N 3.49Å; W505-A507 PolarHBondContact O-N 3.41Å; W505-D508 PolarHBondContact O-N 3.32Å; W505-D508 VanDerWaalsContact O-N 3.16Å; W505-F511 HydrophobicContact CB-CB 4.22Å; W505-F511 HydrophobicContact CB-CD2 4.4Å; W505-V515 HydrophobicContact CB-CG2 3.97Å |
| 506 | F | 91.4 | Very high | 90.9 | Very high | 16 Ų | 16 | 45 Ų | 45 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -65.9 | -20.3 | 176.9 | -167.7 | -103.3 | 0 | 0 | 0 | 112.6 | L503 S504 D508 K512 V515 F543 L547 E550 M552 | L503-F506 WeakPolarHBondContact O-CB 3.36Å; L503-F506 PolarHBondContact O-N 3.35Å; S504-F506 VanDerWaalsContact C-N 3.27Å; S504-F506 PolarHBondContact O-N 3.35Å; F506-D508 PolarHBondContact O-N 3.5Å; F506-K512 HydrophobicContact CD2-CB 4.29Å; F506-K512 HydrophobicContact CD2-CG 4.07Å; F506-K512 HydrophobicContact CE2-CB 4.02Å; F506-K512 HydrophobicContact CE2-CG 3.97Å; F506-K512 HydrophobicContact CG-CG 4.46Å; F506-K512 HydrophobicContact CZ-CG 4.28Å; F506-K512 VanDerWaalsContact O-CE 3.25Å; F506-K512 WeakPolarHBondContact O-CE 2.91Å; F506-K512 WeakPolarHBondContact O-CG 3.23Å; F506-V515 HydrophobicContact CB-CG1 4.09Å; F506-V515 HydrophobicContact CD2-CB 4.18Å; F506-V515 HydrophobicContact CD2-CG1 4Å; F506-V515 HydrophobicContact CG-CG1 4.49Å; F506-F543 AromaticContact CD2-CE2 3.82Å; F506-F543 HydrophobicContact CD2-CE2 3.82Å; F506-F543 AromaticContact CE2-CE2 3.8Å; F506-F543 HydrophobicContact CE2-CE2 3.8Å; F506-F543 HydrophobicContact CG-CE2 4.28Å; F506-F543 HydrophobicContact CZ-CE2 4.26Å; F506-L547 HydrophobicContact CE2-CD2 4.11Å; F506-L547 HydrophobicContact CZ-CD2 3.95Å; F506-E550 HydrophobicContact CE1-CG 3.97Å; F506-E550 HydrophobicContact CZ-CG 4.24Å; F506-M552 HydrophobicContact CE2-SD 4.06Å; F506-M552 HydrophobicContact CZ-SD 3.99Å |
| 507 | A | 88.3 | Confident | 90.8 | Very high | 90 Ų | 90 | 47.7 Ų | 47.7 | 74% | 0.744 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -64.5 | -27.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | W505 | W505-A507 PolarHBondContact O-N 3.41Š|
| 508 | D | 88.2 | Confident | 90.9 | Very high | 79 Ų | 79 | 44.5 Ų | 44.5 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -89.7 | 124.7 | 179.1 | -171.5 | -19.4 | 0 | 0 | 0 | 110.8 | W505 F506 A510 F511 K512 | W505-D508 PolarHBondContact O-N 3.32Å; W505-D508 VanDerWaalsContact O-N 3.16Å; F506-D508 PolarHBondContact O-N 3.5Å; D508-A510 PolarHBondContact O-N 2.96Å; D508-A510 VanDerWaalsContact O-N 3.15Å; D508-A510 PolarHBondContact OD1-N 3.04Å; D508-F511 HydrophobicContact CB-CD2 3.82Å; D508-F511 HydrophobicContact CB-CE2 4.46Å; D508-F511 PolarHBondContact O-N 3.39Å; D508-K512 WeakPolarHBondContact O-CG 3.24Å; D508-K512 PolarHBondContact O-N 2.84Å |
| 509 | A | 85.6 | Confident | 90.9 | Very high | 76 Ų | 76 | 44.6 Ų | 44.6 | 63% | 0.628 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -31.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F511 | A509-F511 VanDerWaalsContact C-N 3.29Å; A509-F511 PolarHBondContact O-N 3.39Å |
| 510 | A | 86.5 | Confident | 90.9 | Very high | 77 Ų | 77 | 44.8 Ų | 44.8 | 64% | 0.636 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -30.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D508 | D508-A510 PolarHBondContact O-N 2.96Å; D508-A510 VanDerWaalsContact O-N 3.15Å; D508-A510 PolarHBondContact OD1-N 3.04Å |
| 511 | F | 88 | Confident | 90.8 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 26% | 0.259 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -11 | -174.3 | -57.5 | -56.3 | 0 | 0 | 0 | 114 | V468 W505 D508 A509 E513 K514 V515 | V468-F511 HydrophobicContact CG1-CB 3.96Å; V468-F511 HydrophobicContact CG1-CD1 3.14Å; V468-F511 HydrophobicContact CG1-CD2 4.07Å; V468-F511 HydrophobicContact CG1-CE1 3.53Å; V468-F511 HydrophobicContact CG1-CE2 4.41Å; V468-F511 HydrophobicContact CG1-CG 3.45Å; V468-F511 VanDerWaalsContact CG1-CG 3.45Å; V468-F511 HydrophobicContact CG1-CZ 4.16Å; W505-F511 HydrophobicContact CB-CB 4.22Å; W505-F511 HydrophobicContact CB-CD2 4.4Å; D508-F511 HydrophobicContact CB-CD2 3.82Å; D508-F511 HydrophobicContact CB-CE2 4.46Å; D508-F511 PolarHBondContact O-N 3.39Å; A509-F511 VanDerWaalsContact C-N 3.29Å; A509-F511 PolarHBondContact O-N 3.39Å; F511-E513 PolarHBondContact O-N 2.7Å; F511-K514 PolarHBondContact O-N 2.99Å; F511-K514 VanDerWaalsContact O-N 3.1Å; F511-V515 HydrophobicContact CB-CG2 4.26Å; F511-V515 WeakPolarHBondContact O-CG2 3.37Å; F511-V515 PolarHBondContact O-N 3.3Å |
| 512 | K | 90.8 | Very high | 91 | Very high | 35 Ų | 35 | 39.4 Ų | 39.4 | 15% | 0.152 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -47.8 | -53.2 | -177 | -80 | 178.9 | -177.3 | 176.8 | 0 | 114.2 | F506 D508 K514 A516 E550 M552 | F506-K512 HydrophobicContact CD2-CB 4.29Å; F506-K512 HydrophobicContact CD2-CG 4.07Å; F506-K512 HydrophobicContact CE2-CB 4.02Å; F506-K512 HydrophobicContact CE2-CG 3.97Å; F506-K512 HydrophobicContact CG-CG 4.46Å; F506-K512 HydrophobicContact CZ-CG 4.28Å; F506-K512 VanDerWaalsContact O-CE 3.25Å; F506-K512 WeakPolarHBondContact O-CE 2.91Å; F506-K512 WeakPolarHBondContact O-CG 3.23Å; D508-K512 WeakPolarHBondContact O-CG 3.24Å; D508-K512 PolarHBondContact O-N 2.84Å; K512-K514 PolarHBondContact O-N 3.49Å; K512-A516 WeakPolarHBondContact O-CB 3.42Å; K512-A516 PolarHBondContact O-N 3.26Å; K512-E550 IonicContact NZ-OE1 3.81Å; K512-E550 PolarHBondContact NZ-OE1 3.15Å; K512-E550 IonicContact NZ-OE2 2.8Å; K512-E550 PolarHBondContact NZ-OE2 3.37Å; K512-M552 HydrophobicContact CB-SD 4.36Å |
| 513 | E | 88.4 | Confident | 90.9 | Very high | 99 Ų | 99 | 39.3 Ų | 39.3 | 46% | 0.463 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.6 | -43.6 | -179.3 | -164.6 | -164.9 | 141.2 | 0 | 0 | 111.6 | F511 A516 R517 | F511-E513 PolarHBondContact O-N 2.7Å; E513-A516 PolarHBondContact O-N 3.22Å; E513-R517 WeakPolarHBondContact O-CB 3.2Å; E513-R517 VanDerWaalsContact O-CD 3.31Å; E513-R517 WeakPolarHBondContact O-CD 3.29Å; E513-R517 VanDerWaalsContact O-CG 3.22Å; E513-R517 WeakPolarHBondContact O-CG 3.29Å; E513-R517 PolarHBondContact O-N 3.38Å; E513-R517 IonicContact OE1-NH1 3.96Å; E513-R517 PolarHBondContact OE1-NH1 3.19Å |
| 514 | K | 89.7 | Confident | 90.8 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 18% | 0.183 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -47.4 | -178.8 | -167.1 | 171.1 | -175.8 | 175.5 | 0 | 111.2 | L467 V468 E469 F511 K512 A516 R517 L518 | L467-K514 WeakPolarHBondContact O-CE 3.45Å; V468-K514 PolarHBondContact O-NZ 2.8Å; E469-K514 PolarHBondContact O-NZ 3.25Å; F511-K514 PolarHBondContact O-N 2.99Å; F511-K514 VanDerWaalsContact O-N 3.1Å; K512-K514 PolarHBondContact O-N 3.49Å; K514-A516 VanDerWaalsContact C-N 3.34Å; K514-A516 PolarHBondContact O-N 3.02Å; K514-R517 PolarHBondContact O-N 3.25Å; K514-L518 WeakPolarHBondContact O-CG 3.35Å; K514-L518 PolarHBondContact O-N 3.32Å |
| 515 | V | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | I502 L503 W505 F506 F511 R517 L518 V519 | I502-V515 HydrophobicContact CG2-CG1 3.89Å; L503-V515 HydrophobicContact CD2-CG1 4.43Å; W505-V515 HydrophobicContact CB-CG2 3.97Å; F506-V515 HydrophobicContact CB-CG1 4.09Å; F506-V515 HydrophobicContact CD2-CB 4.18Å; F506-V515 HydrophobicContact CD2-CG1 4Å; F506-V515 HydrophobicContact CG-CG1 4.49Å; F511-V515 HydrophobicContact CB-CG2 4.26Å; F511-V515 WeakPolarHBondContact O-CG2 3.37Å; F511-V515 PolarHBondContact O-N 3.3Å; V515-R517 VanDerWaalsContact C-N 3.27Å; V515-R517 PolarHBondContact O-N 3.24Å; V515-L518 WeakPolarHBondContact O-CB 3.47Å; V515-L518 PolarHBondContact O-N 3.16Å; V515-V519 HydrophobicContact CG1-CG2 4.44Å; V515-V519 WeakPolarHBondContact O-CG2 3.44Å; V515-V519 PolarHBondContact O-N 3.42Å |
| 516 | A | 92.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -38.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K512 E513 K514 L520 F543 L547 M552 H555 | K512-A516 WeakPolarHBondContact O-CB 3.42Å; K512-A516 PolarHBondContact O-N 3.26Å; E513-A516 PolarHBondContact O-N 3.22Å; K514-A516 VanDerWaalsContact C-N 3.34Å; K514-A516 PolarHBondContact O-N 3.02Å; A516-L520 VanDerWaalsContact O-CB 3.24Å; A516-L520 WeakPolarHBondContact O-CB 3.37Å; A516-L520 PolarHBondContact O-N 2.85Å; A516-F543 HydrophobicContact CB-CZ 3.95Å; A516-L547 HydrophobicContact CB-CD2 4.12Å; A516-M552 HydrophobicContact CB-CE 4.04Å; A516-H555 HydrophobicContact CB-CB 4.38Å |
| 517 | R | 91 | Very high | 90.7 | Very high | 57 Ų | 57 | 34.7 Ų | 34.7 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.5 | -37.4 | 177 | -69.9 | 161.5 | 49.9 | 140.8 | -2.2 | 112.8 | E513 K514 V515 L521 L750 | E513-R517 WeakPolarHBondContact O-CB 3.2Å; E513-R517 VanDerWaalsContact O-CD 3.31Å; E513-R517 WeakPolarHBondContact O-CD 3.29Å; E513-R517 VanDerWaalsContact O-CG 3.22Å; E513-R517 WeakPolarHBondContact O-CG 3.29Å; E513-R517 PolarHBondContact O-N 3.38Å; E513-R517 IonicContact OE1-NH1 3.96Å; E513-R517 PolarHBondContact OE1-NH1 3.19Å; K514-R517 PolarHBondContact O-N 3.25Å; V515-R517 VanDerWaalsContact C-N 3.27Å; V515-R517 PolarHBondContact O-N 3.24Å; R517-L521 VanDerWaalsContact O-CB 3.29Å; R517-L521 WeakPolarHBondContact O-CB 3.28Å; R517-L521 PolarHBondContact O-N 3.13Å; R517-L750 PolarHBondContact NH1-O 3.31Å; R517-L750 PolarHBondContact NH2-O 2.83Å |
| 518 | L | 92.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 31 Ų | 31 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -51.9 | 174 | -72.8 | 172.5 | 0 | 0 | 0 | 110.8 | L467 V468 V481 K514 V515 L520 L521 W522 | L467-L518 HydrophobicContact CB-CD1 4.09Å; L467-L518 HydrophobicContact CD2-CD2 4.47Å; V468-L518 HydrophobicContact CG2-CD1 4.22Å; V481-L518 HydrophobicContact CB-CD2 4.3Å; V481-L518 HydrophobicContact CG1-CD2 3.34Å; V481-L518 HydrophobicContact CG2-CD2 3.92Å; K514-L518 WeakPolarHBondContact O-CG 3.35Å; K514-L518 PolarHBondContact O-N 3.32Å; V515-L518 WeakPolarHBondContact O-CB 3.47Å; V515-L518 PolarHBondContact O-N 3.16Å; L518-L520 VanDerWaalsContact C-N 3.35Å; L518-L520 PolarHBondContact O-N 3.32Å; L518-L521 PolarHBondContact O-N 3.46Å; L518-W522 PolarHBondContact O-N 2.84Å |
| 519 | V | 94.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 179 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | L499 I502 L503 V515 L521 W522 V523 L540 F543 | L499-V519 HydrophobicContact CD1-CG2 4.09Å; I502-V519 HydrophobicContact CG2-CG2 4.18Å; L503-V519 HydrophobicContact CD2-CG2 4.19Å; V515-V519 HydrophobicContact CG1-CG2 4.44Å; V515-V519 WeakPolarHBondContact O-CG2 3.44Å; V515-V519 PolarHBondContact O-N 3.42Å; V519-L521 VanDerWaalsContact C-N 3.34Å; V519-L521 PolarHBondContact O-N 3.03Å; V519-W522 PolarHBondContact O-N 3.49Å; V519-V523 HydrophobicContact CG1-CG2 4.21Å; V519-V523 WeakPolarHBondContact O-CB 3.31Å; V519-V523 VanDerWaalsContact O-CG2 3.28Å; V519-V523 WeakPolarHBondContact O-CG2 3.35Å; V519-V523 PolarHBondContact O-N 3.18Å; V519-L540 HydrophobicContact CG1-CD1 3.77Å; V519-F543 HydrophobicContact CB-CD1 4.24Å; V519-F543 HydrophobicContact CB-CE1 3.84Å; V519-F543 HydrophobicContact CB-CZ 4.34Å; V519-F543 HydrophobicContact CG1-CD1 3.68Å; V519-F543 HydrophobicContact CG1-CE1 3.71Å; V519-F543 HydrophobicContact CG2-CE1 4.31Å; V519-F543 HydrophobicContact CG2-CZ 4.49Å |
| 520 | L | 93.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 176.7 | -177.7 | 65.4 | 0 | 0 | 0 | 112.3 | A516 L518 N524 L558 L559 A562 | A516-L520 VanDerWaalsContact O-CB 3.24Å; A516-L520 WeakPolarHBondContact O-CB 3.37Å; A516-L520 PolarHBondContact O-N 2.85Å; L518-L520 VanDerWaalsContact C-N 3.35Å; L518-L520 PolarHBondContact O-N 3.32Å; L520-N524 VanDerWaalsContact O-CB 3.23Å; L520-N524 WeakPolarHBondContact O-CB 3.49Å; L520-N524 PolarHBondContact O-N 3.07Å; L520-L558 HydrophobicContact CD1-CB 3.94Å; L520-L558 HydrophobicContact CD2-CB 3.75Å; L520-L558 HydrophobicContact CD2-CD1 3.91Å; L520-L558 HydrophobicContact CD2-CG 4.46Å; L520-L559 HydrophobicContact CD1-CB 4.39Å; L520-A562 HydrophobicContact CD1-CB 4.11Å |
| 521 | L | 92.6 | Very high | 90.8 | Very high | 17 Ų | 17 | 23.2 Ų | 23.2 | 9% | 0.089 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 176.9 | -176.8 | 64.4 | 0 | 0 | 0 | 111.2 | V481 E482 L485 R517 L518 V519 N524 N525 I747 | V481-L521 HydrophobicContact CG1-CD2 3.7Å; E482-L521 HydrophobicContact CG-CD2 4.3Å; L485-L521 HydrophobicContact CD1-CD2 4.29Å; L485-L521 HydrophobicContact CD1-CG 4.3Å; R517-L521 VanDerWaalsContact O-CB 3.29Å; R517-L521 WeakPolarHBondContact O-CB 3.28Å; R517-L521 PolarHBondContact O-N 3.13Å; L518-L521 PolarHBondContact O-N 3.46Å; V519-L521 VanDerWaalsContact C-N 3.34Å; V519-L521 PolarHBondContact O-N 3.03Å; L521-N524 PolarHBondContact O-N 2.99Å; L521-N525 WeakPolarHBondContact CD1-ND2 3.33Å; L521-N525 WeakPolarHBondContact O-CB 3.46Å; L521-N525 PolarHBondContact O-N 3.15Å; L521-I747 HydrophobicContact CD1-CG2 3.84Å |
| 522 | W | 94.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.5 | -51.7 | 177.1 | -164.6 | -7.7 | 0 | 0 | 0 | 111.3 | L485 Y488 A495 M498 L499 I502 L518 V519 N524 N525 H526 D529 F530 M536 | L485-W522 HydrophobicContact CD1-CB 3.93Å; L485-W522 HydrophobicContact CD1-CG 4.37Å; L485-W522 HydrophobicContact CD2-CB 4.06Å; L485-W522 HydrophobicContact CD2-CD2 3.55Å; L485-W522 HydrophobicContact CD2-CE3 3.59Å; L485-W522 HydrophobicContact CD2-CG 3.78Å; L485-W522 HydrophobicContact CD2-CZ3 4.21Å; Y488-W522 HydrophobicContact CD1-CZ2 4.23Å; Y488-W522 HydrophobicContact CE1-CH2 4.41Å; Y488-W522 AromaticContact CE1-CZ2 3.54Å; Y488-W522 HydrophobicContact CE1-CZ2 3.54Å; Y488-W522 HydrophobicContact CE2-CZ2 4.37Å; Y488-W522 AromaticContact CZ-CZ2 3.64Å; A495-W522 HydrophobicContact CB-CZ2 4.37Å; M498-W522 HydrophobicContact CB-CH2 4.16Å; M498-W522 HydrophobicContact CE-CH2 4.46Å; M498-W522 HydrophobicContact CE-CZ3 4.37Å; M498-W522 HydrophobicContact CG-CH2 3.97Å; M498-W522 HydrophobicContact CG-CZ3 4.08Å; M498-W522 HydrophobicContact SD-CH2 3.59Å; M498-W522 VanDerWaalsContact SD-CH2 3.59Å; M498-W522 HydrophobicContact SD-CZ2 4.34Å; M498-W522 HydrophobicContact SD-CZ3 3.99Å; L499-W522 HydrophobicContact CB-CZ3 4.24Å; L499-W522 HydrophobicContact CD1-CZ3 4.43Å; I502-W522 HydrophobicContact CD1-CE3 4.38Å; I502-W522 HydrophobicContact CD1-CZ3 3.98Å; L518-W522 PolarHBondContact O-N 2.84Å; V519-W522 PolarHBondContact O-N 3.49Å; W522-N524 VanDerWaalsContact C-N 3.26Å; W522-N524 PolarHBondContact O-N 3.31Å; W522-N525 PolarHBondContact O-N 3.29Å; W522-H526 CarbonylContact O-C 3.5Å; W522-H526 WeakPolarHBondContact O-CA 3.45Å; W522-H526 PolarHBondContact O-N 2.83Å; W522-D529 PolarHBondContact NE1-OD2 3.32Å; W522-F530 HydrophobicContact CB-CE2 4.18Å; W522-F530 HydrophobicContact CB-CZ 4.25Å; W522-F530 AromaticContact CD1-CE2 3.67Å; W522-F530 HydrophobicContact CD2-CE2 4.08Å; W522-F530 AromaticContact CD2-CZ 3.96Å; W522-F530 HydrophobicContact CD2-CZ 3.96Å; W522-F530 HydrophobicContact CE3-CZ 4.34Å; W522-F530 AromaticContact CG-CE2 3.7Å; W522-F530 HydrophobicContact CG-CE2 3.7Å; W522-F530 AromaticContact CG-CZ 3.91Å; W522-F530 HydrophobicContact CG-CZ 3.91Å; W522-M536 HydrophobicContact CH2-CE 4.15Å; W522-M536 HydrophobicContact CZ2-CE 4Å |
| 523 | V | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.5 | -40.9 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | V519 F527 F530 L540 L559 A562 | V519-V523 HydrophobicContact CG1-CG2 4.21Å; V519-V523 WeakPolarHBondContact O-CB 3.31Å; V519-V523 VanDerWaalsContact O-CG2 3.28Å; V519-V523 WeakPolarHBondContact O-CG2 3.35Å; V519-V523 PolarHBondContact O-N 3.18Å; V523-F527 HydrophobicContact CG1-CD2 3.82Å; V523-F527 HydrophobicContact CG1-CE2 4.21Å; V523-F527 WeakPolarHBondContact O-CB 3.39Å; V523-F527 PolarHBondContact O-N 3.05Å; V523-F530 HydrophobicContact CB-CE2 4.47Å; V523-F530 HydrophobicContact CG2-CD1 4.46Å; V523-F530 HydrophobicContact CG2-CD2 4.16Å; V523-F530 HydrophobicContact CG2-CE1 4.06Å; V523-F530 HydrophobicContact CG2-CE2 3.74Å; V523-F530 HydrophobicContact CG2-CZ 3.69Å; V523-L540 HydrophobicContact CG2-CD1 3.76Å; V523-L540 HydrophobicContact CG2-CD2 3.99Å; V523-L559 HydrophobicContact CB-CD1 4.27Å; V523-L559 HydrophobicContact CG1-CD1 4Å; V523-L559 HydrophobicContact CG2-CD1 3.98Å; V523-A562 HydrophobicContact CG1-CB 4.01Å |
| 524 | N | 89.7 | Confident | 90.1 | Very high | 11 Ų | 11 | 22.7 Ų | 22.7 | 6% | 0.059 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.5 | -37.5 | -179.9 | -178 | 73.9 | 0 | 0 | 0 | 112.9 | L520 L521 W522 K566 L743 I747 | L520-N524 VanDerWaalsContact O-CB 3.23Å; L520-N524 WeakPolarHBondContact O-CB 3.49Å; L520-N524 PolarHBondContact O-N 3.07Å; L521-N524 PolarHBondContact O-N 2.99Å; W522-N524 VanDerWaalsContact C-N 3.26Å; W522-N524 PolarHBondContact O-N 3.31Å; N524-K566 WeakPolarHBondContact O-CD 3.34Å; N524-K566 WeakPolarHBondContact O-CE 3.35Å; N524-K566 PolarHBondContact O-NZ 3.03Å; N524-L743 WeakPolarHBondContact OD1-CD2 3.39Å; N524-I747 HydrophobicContact CB-CD1 4.15Å |
| 525 | N | 89.9 | Confident | 90 | Very high | 45 Ų | 45 | 24.9 Ų | 24.9 | 24% | 0.241 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -93.9 | -35.6 | -173.1 | -69.5 | -5.3 | 0 | 0 | 0 | 113.3 | L521 W522 | L521-N525 WeakPolarHBondContact CD1-ND2 3.33Å; L521-N525 WeakPolarHBondContact O-CB 3.46Å; L521-N525 PolarHBondContact O-N 3.15Å; W522-N525 PolarHBondContact O-N 3.29Å |
| 526 | H | 91.8 | Very high | 89.9 | Confident | 11 Ų | 11 | 24.9 Ų | 24.9 | 5% | 0.051 | 13% | 0.134 | C | C | . | . | trans | -133.6 | 53.9 | -175.6 | -48.8 | -60.9 | 0 | 0 | 0 | 111.2 | W522 N528 D529 T962 | W522-H526 CarbonylContact O-C 3.5Å; W522-H526 WeakPolarHBondContact O-CA 3.45Å; W522-H526 PolarHBondContact O-N 2.83Å; H526-N528 PolarHBondContact O-N 3.05Å; H526-N528 VanDerWaalsContact O-N 3.08Å; H526-D529 VanDerWaalsContact CB-OD2 3.31Å; H526-D529 WeakPolarHBondContact CB-OD2 3.14Å; H526-D529 WeakPolarHBondContact O-CB 3.43Å; H526-D529 PolarHBondContact O-N 3.47Å; H526-T962 HydrophobicContact CB-CG2 4.44Å; H526-T962 WeakPolarHBondContact ND1-CG2 3.43Å | ||
| 527 | F | 91.1 | Very high | 89.7 | Confident | 10 Ų | 10 | 26.4 Ų | 26.4 | 4% | 0.044 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -27.2 | 178.1 | -169.5 | -114.1 | 0 | 0 | 0 | 113.4 | V523 D529 F530 E531 C563 K566 | V523-F527 HydrophobicContact CG1-CD2 3.82Å; V523-F527 HydrophobicContact CG1-CE2 4.21Å; V523-F527 WeakPolarHBondContact O-CB 3.39Å; V523-F527 PolarHBondContact O-N 3.05Å; F527-D529 PolarHBondContact O-N 3.16Å; F527-F530 WeakPolarHBondContact O-CB 3.33Å; F527-F530 PolarHBondContact O-N 3.38Å; F527-E531 HydrophobicContact CD1-CB 4.17Å; F527-E531 HydrophobicContact CE1-CB 3.91Å; F527-E531 HydrophobicContact CE1-CG 4.43Å; F527-E531 PolarHBondContact O-N 3.18Å; F527-C563 HydrophobicContact CE2-CB 4.32Å; F527-K566 HydrophobicContact CB-CB 3.76Å; F527-K566 HydrophobicContact CB-CG 4.49Å; F527-K566 HydrophobicContact CD1-CB 4.04Å; F527-K566 HydrophobicContact CD2-CB 4.32Å; F527-K566 HydrophobicContact CG-CB 3.76Å |
| 528 | N | 87.1 | Confident | 89.6 | Confident | 13 Ų | 13 | 26 Ų | 26 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.3 | -28.8 | 177.8 | -63.8 | -30.3 | 0 | 0 | 0 | 112.7 | H526 F530 S532 R568 E960 | H526-N528 PolarHBondContact O-N 3.05Å; H526-N528 VanDerWaalsContact O-N 3.08Å; N528-F530 PolarHBondContact O-N 2.8Å; N528-S532 WeakPolarHBondContact O-CB 3.31Å; N528-S532 PolarHBondContact O-N 3Å; N528-S532 PolarHBondContact O-OG 2.95Å; N528-R568 PolarHBondContact ND2-NH2 2.96Å; N528-E960 WeakPolarHBondContact ND2-CG 3.37Å |
| 529 | D | 89.9 | Confident | 89.6 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 7% | 0.07 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.3 | -28.4 | 176.2 | -62.3 | -18 | 0 | 0 | 0 | 111.5 | Y488 R489 W522 H526 F527 M536 | Y488-D529 PolarHBondContact OH-OD2 2.95Å; R489-D529 IonicContact CZ-OD1 3.64Å; R489-D529 IonicContact NH2-OD1 2.88Å; R489-D529 PolarHBondContact NH2-OD1 3.25Å; R489-D529 IonicContact NH2-OD2 3.41Å; R489-D529 PolarHBondContact NH2-OD2 3.01Å; W522-D529 PolarHBondContact NE1-OD2 3.32Å; H526-D529 VanDerWaalsContact CB-OD2 3.31Å; H526-D529 WeakPolarHBondContact CB-OD2 3.14Å; H526-D529 WeakPolarHBondContact O-CB 3.43Å; H526-D529 PolarHBondContact O-N 3.47Å; F527-D529 PolarHBondContact O-N 3.16Å; D529-M536 HydrophobicContact CB-CE 4.46Å; D529-M536 WeakPolarHBondContact O-CG 3.33Å |
| 530 | F | 90.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -85.8 | -54.1 | 175.2 | -60.1 | -96.2 | 0 | 0 | 0 | 110.8 | L499 W522 V523 F527 N528 S532 S533 M536 M537 L540 | L499-F530 HydrophobicContact CD2-CD1 4.5Å; L499-F530 HydrophobicContact CD2-CE1 3.78Å; W522-F530 HydrophobicContact CB-CE2 4.18Å; W522-F530 HydrophobicContact CB-CZ 4.25Å; W522-F530 AromaticContact CD1-CE2 3.67Å; W522-F530 HydrophobicContact CD2-CE2 4.08Å; W522-F530 AromaticContact CD2-CZ 3.96Å; W522-F530 HydrophobicContact CD2-CZ 3.96Å; W522-F530 HydrophobicContact CE3-CZ 4.34Å; W522-F530 AromaticContact CG-CE2 3.7Å; W522-F530 HydrophobicContact CG-CE2 3.7Å; W522-F530 AromaticContact CG-CZ 3.91Å; W522-F530 HydrophobicContact CG-CZ 3.91Å; V523-F530 HydrophobicContact CB-CE2 4.47Å; V523-F530 HydrophobicContact CG2-CD1 4.46Å; V523-F530 HydrophobicContact CG2-CD2 4.16Å; V523-F530 HydrophobicContact CG2-CE1 4.06Å; V523-F530 HydrophobicContact CG2-CE2 3.74Å; V523-F530 HydrophobicContact CG2-CZ 3.69Å; F527-F530 WeakPolarHBondContact O-CB 3.33Å; F527-F530 PolarHBondContact O-N 3.38Å; N528-F530 PolarHBondContact O-N 2.8Å; F530-S532 VanDerWaalsContact C-N 3.26Å; F530-S532 PolarHBondContact O-N 3.11Å; F530-S533 PolarHBondContact O-N 2.78Å; F530-S533 VanDerWaalsContact O-N 3.08Å; F530-M536 HydrophobicContact CB-CB 4.5Å; F530-M536 HydrophobicContact CD1-CB 4.18Å; F530-M536 HydrophobicContact CD1-CE 4Å; F530-M536 HydrophobicContact CE1-CE 3.83Å; F530-M536 HydrophobicContact CE2-CE 4.38Å; F530-M536 HydrophobicContact CG-CE 4.37Å; F530-M536 HydrophobicContact CZ-CE 4.03Å; F530-M537 HydrophobicContact CB-SD 4.03Å; F530-M537 WeakPolarHBondContact O-CG 3.48Å; F530-L540 HydrophobicContact CD1-CB 4.06Å; F530-L540 HydrophobicContact CD1-CD1 4.35Å; F530-L540 HydrophobicContact CD1-CD2 3.86Å; F530-L540 HydrophobicContact CD1-CG 4.32Å; F530-L540 HydrophobicContact CE1-CB 4.37Å; F530-L540 HydrophobicContact CE1-CD1 4.05Å; F530-L540 HydrophobicContact CE1-CD2 4.36Å; F530-L540 HydrophobicContact CG-CD2 4.32Å |
| 531 | E | 84.3 | Confident | 89.2 | Confident | 55 Ų | 55 | 31.5 Ų | 31.5 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.2 | -28.5 | -174 | -172.8 | 166 | -138.7 | 0 | 0 | 113.3 | F527 S533 | F527-E531 HydrophobicContact CD1-CB 4.17Å; F527-E531 HydrophobicContact CE1-CB 3.91Å; F527-E531 HydrophobicContact CE1-CG 4.43Å; F527-E531 PolarHBondContact O-N 3.18Å; E531-S533 VanDerWaalsContact C-N 3.33Å |
| 532 | S | 83.5 | Confident | 89.1 | Confident | 47 Ų | 47 | 36.7 Ų | 36.7 | 33% | 0.329 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -10.6 | 177.4 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | N528 F530 | N528-S532 WeakPolarHBondContact O-CB 3.31Å; N528-S532 PolarHBondContact O-N 3Å; N528-S532 PolarHBondContact O-OG 2.95Å; F530-S532 VanDerWaalsContact C-N 3.26Å; F530-S532 PolarHBondContact O-N 3.11Å |
| 533 | S | 85.5 | Confident | 89 | Confident | 25 Ų | 25 | 36.9 Ų | 36.9 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | trans | -131.2 | 118.8 | -176.1 | 177.6 | 0 | 0 | 0 | 0 | 112.7 | F530 E531 K535 M536 M537 | F530-S533 PolarHBondContact O-N 2.78Å; F530-S533 VanDerWaalsContact O-N 3.08Å; E531-S533 VanDerWaalsContact C-N 3.33Å; S533-K535 VanDerWaalsContact C-N 3.25Å; S533-K535 PolarHBondContact O-N 3.38Å; S533-M536 PolarHBondContact O-N 2.95Å; S533-M537 PolarHBondContact O-N 2.84Å; S533-M537 VanDerWaalsContact O-N 3.12Å | ||
| 534 | P | 83.4 | Confident | 88.9 | Confident | 110 Ų | 110 | 38.3 Ų | 38.3 | 71% | 0.714 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -64.7 | -30.1 | 178.5 | 26.4 | -33.8 | 0 | 0 | 0 | 112.6 | M537 S538 | P534-M537 PolarHBondContact O-N 3.24Å; P534-S538 PolarHBondContact O-N 3.46Å |
| 535 | K | 88 | Confident | 88.8 | Confident | 88 Ų | 88 | 40 Ų | 40 | 38% | 0.383 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 176.5 | -171 | -180 | 175.5 | -159.6 | 0 | 111 | D494 A496 E500 S533 S538 L539 | D494-K535 IonicContact OD2-NZ 2.95Å; A496-K535 HydrophobicContact CB-CD 3.56Å; A496-K535 HydrophobicContact CB-CG 3.95Å; E500-K535 WeakPolarHBondContact OE1-CE 3.43Å; E500-K535 IonicContact OE1-NZ 3.13Å; E500-K535 PolarHBondContact OE1-NZ 3.39Å; S533-K535 VanDerWaalsContact C-N 3.25Å; S533-K535 PolarHBondContact O-N 3.38Å; K535-S538 PolarHBondContact O-N 3.33Å; K535-L539 WeakPolarHBondContact O-CG 3.33Å; K535-L539 PolarHBondContact O-N 3.24Å |
| 536 | M | 90.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 176.5 | -71.8 | -73.2 | -77.9 | 0 | 0 | 111.9 | A495 A496 L499 W522 D529 F530 S533 S538 L539 L540 | A495-M536 VanDerWaalsContact C-SD 3.58Å; A495-M536 HydrophobicContact CB-CE 3.86Å; A495-M536 HydrophobicContact CB-CG 4.41Å; A495-M536 HydrophobicContact CB-SD 3.87Å; A496-M536 VanDerWaalsContact CA-SD 3.58Å; A496-M536 HydrophobicContact CB-SD 4.14Å; L499-M536 HydrophobicContact CB-CE 4.37Å; L499-M536 HydrophobicContact CB-SD 4.01Å; L499-M536 HydrophobicContact CD2-CE 3.96Å; L499-M536 HydrophobicContact CD2-SD 3.73Å; W522-M536 HydrophobicContact CH2-CE 4.15Å; W522-M536 HydrophobicContact CZ2-CE 4Å; D529-M536 HydrophobicContact CB-CE 4.46Å; D529-M536 WeakPolarHBondContact O-CG 3.33Å; F530-M536 HydrophobicContact CB-CB 4.5Å; F530-M536 HydrophobicContact CD1-CB 4.18Å; F530-M536 HydrophobicContact CD1-CE 4Å; F530-M536 HydrophobicContact CE1-CE 3.83Å; F530-M536 HydrophobicContact CE2-CE 4.38Å; F530-M536 HydrophobicContact CG-CE 4.37Å; F530-M536 HydrophobicContact CZ-CE 4.03Å; S533-M536 PolarHBondContact O-N 2.95Å; M536-S538 PolarHBondContact O-N 3.04Å; M536-L539 PolarHBondContact O-N 2.83Å; M536-L540 WeakPolarHBondContact O-CB 3.44Å; M536-L540 PolarHBondContact O-N 3.23Å |
| 537 | M | 87.7 | Confident | 88.9 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 16% | 0.163 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -43.4 | 173.5 | -74.9 | -59.9 | -51.2 | 0 | 0 | 112.3 | F530 S533 P534 L539 L540 E541 | F530-M537 HydrophobicContact CB-SD 4.03Å; F530-M537 WeakPolarHBondContact O-CG 3.48Å; S533-M537 PolarHBondContact O-N 2.84Å; S533-M537 VanDerWaalsContact O-N 3.12Å; P534-M537 PolarHBondContact O-N 3.24Å; M537-L539 VanDerWaalsContact C-N 3.34Å; M537-L539 PolarHBondContact O-N 3.06Å; M537-L540 PolarHBondContact O-N 2.85Å; M537-E541 WeakPolarHBondContact O-CG 3.36Å; M537-E541 PolarHBondContact O-N 2.99Å |
| 538 | S | 88.3 | Confident | 88.8 | Confident | 50 Ų | 50 | 43.8 Ų | 43.8 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 176.9 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | P534 K535 M536 E541 K542 | P534-S538 PolarHBondContact O-N 3.46Å; K535-S538 PolarHBondContact O-N 3.33Å; M536-S538 PolarHBondContact O-N 3.04Å; S538-E541 PolarHBondContact O-N 2.83Å; S538-K542 WeakPolarHBondContact O-CG 3.46Å; S538-K542 PolarHBondContact O-N 3.4Å |
| 539 | L | 93.1 | Very high | 88.9 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 174.5 | -69.8 | 169.9 | 0 | 0 | 0 | 111.9 | A496 L499 E500 L503 K535 M536 M537 K542 F543 | A496-L539 HydrophobicContact CB-CD1 3.92Å; L499-L539 HydrophobicContact CB-CD1 4.33Å; L499-L539 HydrophobicContact CD2-CB 3.6Å; L499-L539 HydrophobicContact CD2-CD1 4Å; L499-L539 HydrophobicContact CD2-CG 4.47Å; L499-L539 HydrophobicContact CG-CB 4.28Å; L499-L539 HydrophobicContact CG-CD1 4.28Å; E500-L539 HydrophobicContact CG-CD1 3.77Å; E500-L539 HydrophobicContact CG-CD2 3.81Å; E500-L539 HydrophobicContact CG-CG 4.47Å; L503-L539 HydrophobicContact CD1-CB 4.26Å; K535-L539 WeakPolarHBondContact O-CG 3.33Å; K535-L539 PolarHBondContact O-N 3.24Å; M536-L539 PolarHBondContact O-N 2.83Å; M537-L539 VanDerWaalsContact C-N 3.34Å; M537-L539 PolarHBondContact O-N 3.06Å; L539-K542 PolarHBondContact O-N 3.02Å; L539-F543 WeakPolarHBondContact O-CB 3.5Å; L539-F543 PolarHBondContact O-N 2.82Å |
| 540 | L | 91.5 | Very high | 88.9 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 176.8 | -170.2 | 63.5 | 0 | 0 | 0 | 112.2 | V519 V523 F530 M536 M537 F543 E544 L559 | V519-L540 HydrophobicContact CG1-CD1 3.77Å; V523-L540 HydrophobicContact CG2-CD1 3.76Å; V523-L540 HydrophobicContact CG2-CD2 3.99Å; F530-L540 HydrophobicContact CD1-CB 4.06Å; F530-L540 HydrophobicContact CD1-CD1 4.35Å; F530-L540 HydrophobicContact CD1-CD2 3.86Å; F530-L540 HydrophobicContact CD1-CG 4.32Å; F530-L540 HydrophobicContact CE1-CB 4.37Å; F530-L540 HydrophobicContact CE1-CD1 4.05Å; F530-L540 HydrophobicContact CE1-CD2 4.36Å; F530-L540 HydrophobicContact CG-CD2 4.32Å; M536-L540 WeakPolarHBondContact O-CB 3.44Å; M536-L540 PolarHBondContact O-N 3.23Å; M537-L540 PolarHBondContact O-N 2.85Å; L540-F543 HydrophobicContact CD1-CD1 4.36Å; L540-F543 PolarHBondContact O-N 2.98Å; L540-E544 PolarHBondContact O-N 3.15Å; L540-L559 HydrophobicContact CD1-CD1 4.02Å; L540-L559 HydrophobicContact CD1-CD2 4.35Å |
| 541 | E | 87.6 | Confident | 88.9 | Confident | 109 Ų | 109 | 56.1 Ų | 56.1 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 173.7 | -73.3 | 173.3 | -174.3 | 0 | 0 | 111.7 | M537 S538 F543 E544 A545 | M537-E541 WeakPolarHBondContact O-CG 3.36Å; M537-E541 PolarHBondContact O-N 2.99Å; S538-E541 PolarHBondContact O-N 2.83Å; E541-F543 VanDerWaalsContact C-N 3.33Å; E541-F543 PolarHBondContact O-N 3.15Å; E541-E544 WeakPolarHBondContact O-CB 3.17Å; E541-E544 PolarHBondContact O-N 3.21Å; E541-A545 PolarHBondContact O-N 3.35Å |
| 542 | K | 90 | Very high | 89.2 | Confident | 126 Ų | 126 | 55 Ų | 55 | 55% | 0.548 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 172.5 | -72.4 | 172.3 | -174.8 | 177.6 | 0 | 111.4 | S538 L539 A545 S546 | S538-K542 WeakPolarHBondContact O-CG 3.46Å; S538-K542 PolarHBondContact O-N 3.4Å; L539-K542 PolarHBondContact O-N 3.02Å; K542-A545 PolarHBondContact O-N 2.82Å; K542-S546 PolarHBondContact O-N 3.47Å; K542-S546 PolarHBondContact O-OG 3.27Å |
| 543 | F | 93.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 2% | 0.022 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 176.7 | 176.4 | -114.1 | 0 | 0 | 0 | 112.2 | L503 F506 A516 V519 L539 L540 E541 A545 S546 L547 L559 | L503-F543 HydrophobicContact CD1-CB 4.25Å; L503-F543 HydrophobicContact CD2-CB 3.83Å; L503-F543 HydrophobicContact CD2-CD2 3.33Å; L503-F543 HydrophobicContact CD2-CE2 4.09Å; L503-F543 HydrophobicContact CD2-CG 3.67Å; F506-F543 AromaticContact CD2-CE2 3.82Å; F506-F543 HydrophobicContact CD2-CE2 3.82Å; F506-F543 AromaticContact CE2-CE2 3.8Å; F506-F543 HydrophobicContact CE2-CE2 3.8Å; F506-F543 HydrophobicContact CG-CE2 4.28Å; F506-F543 HydrophobicContact CZ-CE2 4.26Å; A516-F543 HydrophobicContact CB-CZ 3.95Å; V519-F543 HydrophobicContact CB-CD1 4.24Å; V519-F543 HydrophobicContact CB-CE1 3.84Å; V519-F543 HydrophobicContact CB-CZ 4.34Å; V519-F543 HydrophobicContact CG1-CD1 3.68Å; V519-F543 HydrophobicContact CG1-CE1 3.71Å; V519-F543 HydrophobicContact CG2-CE1 4.31Å; V519-F543 HydrophobicContact CG2-CZ 4.49Å; L539-F543 WeakPolarHBondContact O-CB 3.5Å; L539-F543 PolarHBondContact O-N 2.82Å; L540-F543 HydrophobicContact CD1-CD1 4.36Å; L540-F543 PolarHBondContact O-N 2.98Å; E541-F543 VanDerWaalsContact C-N 3.33Å; E541-F543 PolarHBondContact O-N 3.15Å; F543-A545 VanDerWaalsContact C-N 3.33Å; F543-A545 PolarHBondContact O-N 3.47Å; F543-S546 PolarHBondContact O-N 3.28Å; F543-L547 HydrophobicContact CD1-CD1 4.18Å; F543-L547 HydrophobicContact CE1-CD1 3.54Å; F543-L547 HydrophobicContact CE1-CD2 4.46Å; F543-L547 HydrophobicContact CE1-CG 4.01Å; F543-L547 HydrophobicContact CE2-CD1 4.45Å; F543-L547 HydrophobicContact CE2-CD2 4.08Å; F543-L547 HydrophobicContact CE2-CG 4.01Å; F543-L547 HydrophobicContact CZ-CD1 3.67Å; F543-L547 HydrophobicContact CZ-CD2 3.72Å; F543-L547 HydrophobicContact CZ-CG 3.67Å; F543-L547 WeakPolarHBondContact O-CG 3.46Å; F543-L547 PolarHBondContact O-N 3.36Å; F543-L559 HydrophobicContact CD1-CD2 4.12Å; F543-L559 HydrophobicContact CE1-CD2 4.27Å |
| 544 | E | 89.7 | Confident | 89.5 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.1 | -44 | 173.7 | -164.2 | -145 | 170.5 | 0 | 0 | 111.7 | L540 E541 L547 E548 Q556 L559 K658 | L540-E544 PolarHBondContact O-N 3.15Å; E541-E544 WeakPolarHBondContact O-CB 3.17Å; E541-E544 PolarHBondContact O-N 3.21Å; E544-L547 PolarHBondContact O-N 3.41Å; E544-E548 PolarHBondContact O-N 2.98Å; E544-Q556 HydrophobicContact CG-CG 4.17Å; E544-Q556 PolarHBondContact OE1-NE2 3.42Å; E544-L559 HydrophobicContact CB-CD2 4.25Å; E544-L559 HydrophobicContact CG-CD2 4.28Å; E544-K658 IonicContact OE1-NZ 2.71Å; E544-K658 PolarHBondContact OE1-NZ 3.49Å |
| 545 | A | 88.5 | Confident | 89.8 | Confident | 46 Ų | 46 | 60.5 Ų | 60.5 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | E541 K542 F543 L547 E548 D549 | E541-A545 PolarHBondContact O-N 3.35Å; K542-A545 PolarHBondContact O-N 2.82Å; F543-A545 VanDerWaalsContact C-N 3.33Å; F543-A545 PolarHBondContact O-N 3.47Å; A545-L547 VanDerWaalsContact C-N 3.31Å; A545-L547 PolarHBondContact O-N 3.34Å; A545-E548 WeakPolarHBondContact O-CB 3.33Å; A545-E548 PolarHBondContact O-N 2.93Å; A545-E548 VanDerWaalsContact O-N 3.07Å; A545-D549 PolarHBondContact O-N 3.11Å |
| 546 | S | 91.9 | Very high | 89.8 | Confident | 43 Ų | 43 | 57 Ų | 57 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63 | -34.6 | 175.6 | -55.8 | 0 | 0 | 0 | 0 | 113.1 | K542 F543 E548 E550 | K542-S546 PolarHBondContact O-N 3.47Å; K542-S546 PolarHBondContact O-OG 3.27Å; F543-S546 PolarHBondContact O-N 3.28Å; S546-E548 VanDerWaalsContact C-N 3.3Å; S546-E550 WeakPolarHBondContact O-CB 3.38Å; S546-E550 VanDerWaalsContact O-CG 3.31Å; S546-E550 WeakPolarHBondContact O-CG 3.46Å; S546-E550 PolarHBondContact O-N 3.5Å; S546-E550 VanDerWaalsContact O-N 3.13Å |
| 547 | L | 91.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.1 | -33.5 | 172.8 | -73.1 | 175.6 | 0 | 0 | 0 | 112.4 | F506 A516 F543 E544 A545 A551 M552 H555 Q556 L559 | F506-L547 HydrophobicContact CE2-CD2 4.11Å; F506-L547 HydrophobicContact CZ-CD2 3.95Å; A516-L547 HydrophobicContact CB-CD2 4.12Å; F543-L547 HydrophobicContact CD1-CD1 4.18Å; F543-L547 HydrophobicContact CE1-CD1 3.54Å; F543-L547 HydrophobicContact CE1-CD2 4.46Å; F543-L547 HydrophobicContact CE1-CG 4.01Å; F543-L547 HydrophobicContact CE2-CD1 4.45Å; F543-L547 HydrophobicContact CE2-CD2 4.08Å; F543-L547 HydrophobicContact CE2-CG 4.01Å; F543-L547 HydrophobicContact CZ-CD1 3.67Å; F543-L547 HydrophobicContact CZ-CD2 3.72Å; F543-L547 HydrophobicContact CZ-CG 3.67Å; F543-L547 WeakPolarHBondContact O-CG 3.46Å; F543-L547 PolarHBondContact O-N 3.36Å; E544-L547 PolarHBondContact O-N 3.41Å; A545-L547 VanDerWaalsContact C-N 3.31Å; A545-L547 PolarHBondContact O-N 3.34Å; L547-A551 PolarHBondContact O-N 3.38Å; L547-M552 HydrophobicContact CD2-CB 3.82Å; L547-M552 HydrophobicContact CD2-CE 4.38Å; L547-M552 HydrophobicContact CD2-CG 4.42Å; L547-M552 HydrophobicContact CD2-SD 3.89Å; L547-M552 PolarHBondContact O-N 2.98Å; L547-H555 HydrophobicContact CD1-CB 4.42Å; L547-H555 HydrophobicContact CD2-CB 4.22Å; L547-Q556 HydrophobicContact CB-CB 4.22Å; L547-Q556 HydrophobicContact CB-CG 4.49Å; L547-Q556 HydrophobicContact CD1-CB 4.4Å; L547-L559 HydrophobicContact CD1-CD2 4.11Å |
| 548 | E | 88 | Confident | 89.7 | Confident | 102 Ų | 102 | 60.5 Ų | 60.5 | 48% | 0.477 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.9 | -45.3 | 177.4 | -170.3 | 165.5 | 164.8 | 0 | 0 | 111.4 | E544 A545 S546 E550 A551 Q556 | E544-E548 PolarHBondContact O-N 2.98Å; A545-E548 WeakPolarHBondContact O-CB 3.33Å; A545-E548 PolarHBondContact O-N 2.93Å; A545-E548 VanDerWaalsContact O-N 3.07Å; S546-E548 VanDerWaalsContact C-N 3.3Å; E548-E550 VanDerWaalsContact C-N 3.26Å; E548-E550 PolarHBondContact O-N 3.45Å; E548-A551 PolarHBondContact O-N 2.96Å; E548-Q556 PolarHBondContact OE2-NE2 2.93Å |
| 549 | D | 90.6 | Very high | 89.7 | Confident | 140 Ų | 140 | 58.4 Ų | 58.4 | 75% | 0.749 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.9 | -35.7 | 176.9 | -70.3 | -22.3 | 0 | 0 | 0 | 112.1 | A545 A551 | A545-D549 PolarHBondContact O-N 3.11Å; D549-A551 VanDerWaalsContact C-N 3.31Å |
| 550 | E | 90.3 | Very high | 89.4 | Confident | 91 Ų | 91 | 58.2 Ų | 58.2 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 5.2 | 177.1 | -68.1 | -69.1 | 169.8 | 0 | 0 | 113.8 | F506 K512 S546 E548 M552 | F506-E550 HydrophobicContact CE1-CG 3.97Å; F506-E550 HydrophobicContact CZ-CG 4.24Å; K512-E550 IonicContact NZ-OE1 3.81Å; K512-E550 PolarHBondContact NZ-OE1 3.15Å; K512-E550 IonicContact NZ-OE2 2.8Å; K512-E550 PolarHBondContact NZ-OE2 3.37Å; S546-E550 WeakPolarHBondContact O-CB 3.38Å; S546-E550 VanDerWaalsContact O-CG 3.31Å; S546-E550 WeakPolarHBondContact O-CG 3.46Å; S546-E550 PolarHBondContact O-N 3.5Å; S546-E550 VanDerWaalsContact O-N 3.13Å; E548-E550 VanDerWaalsContact C-N 3.26Å; E548-E550 PolarHBondContact O-N 3.45Å; E550-M552 HydrophobicContact CB-CG 4.22Å; E550-M552 PolarHBondContact O-N 2.94Å |
| 551 | A | 90 | Very high | 89.1 | Confident | 53 Ų | 53 | 58 Ų | 58 | 44% | 0.438 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 29.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L547 E548 D549 Y553 | L547-A551 PolarHBondContact O-N 3.38Å; E548-A551 PolarHBondContact O-N 2.96Å; D549-A551 VanDerWaalsContact C-N 3.31Å; A551-Y553 HydrophobicContact CB-CD2 4.47Å; A551-Y553 HydrophobicContact CB-CE2 3.8Å; A551-Y553 WeakPolarHBondContact O-CD2 3.32Å; A551-Y553 PolarHBondContact O-N 3.46Å |
| 552 | M | 89.9 | Confident | 89 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 15% | 0.153 | 27% | 0.271 | C | S | . | . | trans | -83.3 | 53.7 | 177.6 | -67.6 | -174.2 | 71.4 | 0 | 0 | 112.2 | F506 K512 A516 L547 E550 N554 H555 Q556 | F506-M552 HydrophobicContact CE2-SD 4.06Å; F506-M552 HydrophobicContact CZ-SD 3.99Å; K512-M552 HydrophobicContact CB-SD 4.36Å; A516-M552 HydrophobicContact CB-CE 4.04Å; L547-M552 HydrophobicContact CD2-CB 3.82Å; L547-M552 HydrophobicContact CD2-CE 4.38Å; L547-M552 HydrophobicContact CD2-CG 4.42Å; L547-M552 HydrophobicContact CD2-SD 3.89Å; L547-M552 PolarHBondContact O-N 2.98Å; E550-M552 HydrophobicContact CB-CG 4.22Å; E550-M552 PolarHBondContact O-N 2.94Å; M552-N554 VanDerWaalsContact C-N 3.3Å; M552-N554 PolarHBondContact O-N 2.71Å; M552-N554 VanDerWaalsContact O-N 3.14Å; M552-H555 HydrophobicContact CB-CB 4.49Å; M552-H555 WeakPolarHBondContact CE-ND1 3.44Å; M552-H555 PolarHBondContact O-N 2.78Å; M552-Q556 PolarHBondContact O-N 3.21Å | ||
| 553 | Y | 86.7 | Confident | 88.9 | Confident | 147 Ų | 147 | 47.9 Ų | 47.9 | 58% | 0.576 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -55.4 | -37 | -170.2 | -59.5 | -62.8 | 0 | 0 | 0 | 114.6 | A551 Q556 Q557 | A551-Y553 HydrophobicContact CB-CD2 4.47Å; A551-Y553 HydrophobicContact CB-CE2 3.8Å; A551-Y553 WeakPolarHBondContact O-CD2 3.32Å; A551-Y553 PolarHBondContact O-N 3.46Å; Y553-Q556 PolarHBondContact O-N 3.37Å; Y553-Q557 WeakPolarHBondContact O-CB 3.41Å; Y553-Q557 PolarHBondContact O-N 3.3Å |
| 554 | N | 88.8 | Confident | 88.4 | Confident | 121 Ų | 121 | 48.1 Ų | 48.1 | 65% | 0.647 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.4 | -44.6 | 178.9 | -67.4 | -30.8 | 0 | 0 | 0 | 111.8 | M552 Q557 L558 | M552-N554 VanDerWaalsContact C-N 3.3Å; M552-N554 PolarHBondContact O-N 2.71Å; M552-N554 VanDerWaalsContact O-N 3.14Å; N554-Q557 PolarHBondContact O-N 3.3Å; N554-L558 WeakPolarHBondContact O-CG 3.5Å; N554-L558 PolarHBondContact O-N 3.31Å |
| 555 | H | 89.7 | Confident | 88.1 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.4 | -41.6 | 178.4 | -67.2 | 94.9 | 0 | 0 | 0 | 110.9 | A516 L547 M552 Q557 L558 L559 | A516-H555 HydrophobicContact CB-CB 4.38Å; L547-H555 HydrophobicContact CD1-CB 4.42Å; L547-H555 HydrophobicContact CD2-CB 4.22Å; M552-H555 HydrophobicContact CB-CB 4.49Å; M552-H555 WeakPolarHBondContact CE-ND1 3.44Å; M552-H555 PolarHBondContact O-N 2.78Å; H555-Q557 VanDerWaalsContact C-N 3.31Å; H555-Q557 PolarHBondContact O-N 3.36Å; H555-L558 PolarHBondContact O-N 3.36Å; H555-L559 WeakPolarHBondContact O-CB 3.47Å; H555-L559 PolarHBondContact O-N 3.3Å |
| 556 | Q | 87.7 | Confident | 88 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 174.4 | -165.7 | -169.9 | 8.6 | 0 | 0 | 111.5 | E544 L547 E548 M552 Y553 L559 N560 | E544-Q556 HydrophobicContact CG-CG 4.17Å; E544-Q556 PolarHBondContact OE1-NE2 3.42Å; L547-Q556 HydrophobicContact CB-CB 4.22Å; L547-Q556 HydrophobicContact CB-CG 4.49Å; L547-Q556 HydrophobicContact CD1-CB 4.4Å; E548-Q556 PolarHBondContact OE2-NE2 2.93Å; M552-Q556 PolarHBondContact O-N 3.21Å; Y553-Q556 PolarHBondContact O-N 3.37Å; Q556-L559 PolarHBondContact O-N 2.67Å; Q556-N560 WeakPolarHBondContact O-CB 3.48Å; Q556-N560 PolarHBondContact O-N 3.39Å; Q556-N560 PolarHBondContact O-ND2 2.97Å |
| 557 | Q | 86.4 | Confident | 87.7 | Confident | 84 Ų | 84 | 49.2 Ų | 49.2 | 39% | 0.393 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.9 | -171.8 | -179.5 | 52.5 | 0 | 0 | 111.7 | Y553 N554 H555 L559 N560 I561 | Y553-Q557 WeakPolarHBondContact O-CB 3.41Å; Y553-Q557 PolarHBondContact O-N 3.3Å; N554-Q557 PolarHBondContact O-N 3.3Å; H555-Q557 VanDerWaalsContact C-N 3.31Å; H555-Q557 PolarHBondContact O-N 3.36Å; Q557-L559 VanDerWaalsContact C-N 3.33Å; Q557-L559 PolarHBondContact O-N 3.39Å; Q557-N560 PolarHBondContact O-N 3.09Å; Q557-I561 HydrophobicContact CG-CD1 4.07Å; Q557-I561 VanDerWaalsContact O-CG1 3.3Å; Q557-I561 WeakPolarHBondContact O-CG1 3.28Å; Q557-I561 PolarHBondContact O-N 3.25Å |
| 558 | L | 89.6 | Confident | 87.2 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 176.4 | -68.8 | 173.3 | 0 | 0 | 0 | 112.1 | L520 N554 H555 I561 A562 L743 L746 L750 | L520-L558 HydrophobicContact CD1-CB 3.94Å; L520-L558 HydrophobicContact CD2-CB 3.75Å; L520-L558 HydrophobicContact CD2-CD1 3.91Å; L520-L558 HydrophobicContact CD2-CG 4.46Å; N554-L558 WeakPolarHBondContact O-CG 3.5Å; N554-L558 PolarHBondContact O-N 3.31Å; H555-L558 PolarHBondContact O-N 3.36Å; L558-I561 PolarHBondContact O-N 3.36Å; L558-A562 WeakPolarHBondContact O-CB 3.47Å; L558-A562 PolarHBondContact O-N 2.87Å; L558-L743 HydrophobicContact CD2-CD1 3.77Å; L558-L746 HydrophobicContact CD1-CD2 4.09Å; L558-L746 HydrophobicContact CD2-CD2 3.63Å; L558-L750 HydrophobicContact CD1-CD1 4.28Å |
| 559 | L | 89.3 | Confident | 87 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 174.6 | 178.5 | 62.3 | 0 | 0 | 0 | 110.8 | L520 V523 L540 F543 E544 L547 H555 Q556 Q557 I561 A562 C563 | L520-L559 HydrophobicContact CD1-CB 4.39Å; V523-L559 HydrophobicContact CB-CD1 4.27Å; V523-L559 HydrophobicContact CG1-CD1 4Å; V523-L559 HydrophobicContact CG2-CD1 3.98Å; L540-L559 HydrophobicContact CD1-CD1 4.02Å; L540-L559 HydrophobicContact CD1-CD2 4.35Å; F543-L559 HydrophobicContact CD1-CD2 4.12Å; F543-L559 HydrophobicContact CE1-CD2 4.27Å; E544-L559 HydrophobicContact CB-CD2 4.25Å; E544-L559 HydrophobicContact CG-CD2 4.28Å; L547-L559 HydrophobicContact CD1-CD2 4.11Å; H555-L559 WeakPolarHBondContact O-CB 3.47Å; H555-L559 PolarHBondContact O-N 3.3Å; Q556-L559 PolarHBondContact O-N 2.67Å; Q557-L559 VanDerWaalsContact C-N 3.33Å; Q557-L559 PolarHBondContact O-N 3.39Å; L559-I561 VanDerWaalsContact C-N 3.34Å; L559-I561 PolarHBondContact O-N 3.35Å; L559-A562 PolarHBondContact O-N 3.42Å; L559-C563 WeakPolarHBondContact O-CB 3.49Å; L559-C563 PolarHBondContact O-N 3.38Å; L559-C563 PolarHBondContact O-SG 3.12Å; L559-C563 VanDerWaalsContact O-SG 3.34Å |
| 560 | N | 86.1 | Confident | 86.9 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 177.1 | -78.1 | -43.6 | 0 | 0 | 0 | 112.8 | Q556 Q557 S564 L654 L655 | Q556-N560 WeakPolarHBondContact O-CB 3.48Å; Q556-N560 PolarHBondContact O-N 3.39Å; Q556-N560 PolarHBondContact O-ND2 2.97Å; Q557-N560 PolarHBondContact O-N 3.09Å; N560-S564 VanDerWaalsContact O-CB 3.23Å; N560-S564 WeakPolarHBondContact O-CB 3.44Å; N560-S564 PolarHBondContact O-N 2.88Å; N560-L654 WeakPolarHBondContact OD1-CD2 3.23Å; N560-L655 HydrophobicContact CB-CB 4.49Å; N560-L655 HydrophobicContact CB-CD1 4.28Å |
| 561 | I | 85.2 | Confident | 86.9 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.6 | -49.5 | 172.6 | -69.3 | 162 | 0 | 0 | 0 | 110.2 | Q557 L558 L559 S564 V565 L655 L743 Y818 | Q557-I561 HydrophobicContact CG-CD1 4.07Å; Q557-I561 VanDerWaalsContact O-CG1 3.3Å; Q557-I561 WeakPolarHBondContact O-CG1 3.28Å; Q557-I561 PolarHBondContact O-N 3.25Å; L558-I561 PolarHBondContact O-N 3.36Å; L559-I561 VanDerWaalsContact C-N 3.34Å; L559-I561 PolarHBondContact O-N 3.35Å; I561-S564 PolarHBondContact O-N 3.47Å; I561-V565 HydrophobicContact CG2-CG2 4.17Å; I561-V565 WeakPolarHBondContact O-CB 3.11Å; I561-V565 VanDerWaalsContact O-CG2 3.29Å; I561-V565 WeakPolarHBondContact O-CG2 3.27Å; I561-V565 PolarHBondContact O-N 3Å; I561-L655 HydrophobicContact CB-CD2 4.5Å; I561-L655 HydrophobicContact CG1-CD1 4.39Å; I561-L655 HydrophobicContact CG1-CD2 3.67Å; I561-L743 HydrophobicContact CG2-CD2 4.46Å; I561-Y818 HydrophobicContact CB-CE2 4.49Å; I561-Y818 HydrophobicContact CD1-CE2 3.94Å; I561-Y818 HydrophobicContact CG1-CE2 3.95Å; I561-Y818 HydrophobicContact CG2-CD1 4.23Å; I561-Y818 HydrophobicContact CG2-CD2 4.16Å; I561-Y818 HydrophobicContact CG2-CE1 3.77Å; I561-Y818 HydrophobicContact CG2-CE2 3.69Å; I561-Y818 HydrophobicContact CG2-CG 4.41Å; I561-Y818 VanDerWaalsContact CG2-CZ 3.48Å |
| 562 | A | 86.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.3 | -52 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L520 V523 L558 L559 S564 V565 K566 | L520-A562 HydrophobicContact CD1-CB 4.11Å; V523-A562 HydrophobicContact CG1-CB 4.01Å; L558-A562 WeakPolarHBondContact O-CB 3.47Å; L558-A562 PolarHBondContact O-N 2.87Å; L559-A562 PolarHBondContact O-N 3.42Å; A562-S564 VanDerWaalsContact C-N 3.3Å; A562-S564 PolarHBondContact O-N 3.42Å; A562-V565 PolarHBondContact O-N 3.41Å; A562-K566 WeakPolarHBondContact O-CB 3.42Å; A562-K566 VanDerWaalsContact O-CG 3.22Å; A562-K566 WeakPolarHBondContact O-CG 3.49Å; A562-K566 PolarHBondContact O-N 3.47Å |
| 563 | C | 87.1 | Confident | 87 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.6 | -40.9 | 176.3 | -69 | 0 | 0 | 0 | 0 | 112.2 | F527 L559 S567 | F527-C563 HydrophobicContact CE2-CB 4.32Å; L559-C563 WeakPolarHBondContact O-CB 3.49Å; L559-C563 PolarHBondContact O-N 3.38Å; L559-C563 PolarHBondContact O-SG 3.12Å; L559-C563 VanDerWaalsContact O-SG 3.34Å; C563-S567 WeakPolarHBondContact O-CB 3.41Å; C563-S567 PolarHBondContact O-N 2.83Å; C563-S567 VanDerWaalsContact O-N 3.07Å; C563-S567 PolarHBondContact O-OG 2.71Å |
| 564 | S | 84.3 | Confident | 87.2 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 8% | 0.077 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72 | -36.5 | 179.6 | -178.9 | 0 | 0 | 0 | 0 | 113.6 | N560 I561 A562 S567 K651 N653 | N560-S564 VanDerWaalsContact O-CB 3.23Å; N560-S564 WeakPolarHBondContact O-CB 3.44Å; N560-S564 PolarHBondContact O-N 2.88Å; I561-S564 PolarHBondContact O-N 3.47Å; A562-S564 VanDerWaalsContact C-N 3.3Å; A562-S564 PolarHBondContact O-N 3.42Å; S564-S567 PolarHBondContact O-OG 2.93Å; S564-K651 WeakPolarHBondContact O-CE 3.47Å; S564-K651 PolarHBondContact O-NZ 2.87Å; S564-N653 PolarHBondContact OG-OD1 2.94Å |
| 565 | V | 83.3 | Confident | 87.3 | Confident | 59 Ų | 59 | 38.1 Ų | 38.1 | 36% | 0.358 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -75.5 | -45.3 | -179.5 | 170 | 0 | 0 | 0 | 0 | 109.7 | I561 A562 K651 Y818 | I561-V565 HydrophobicContact CG2-CG2 4.17Å; I561-V565 WeakPolarHBondContact O-CB 3.11Å; I561-V565 VanDerWaalsContact O-CG2 3.29Å; I561-V565 WeakPolarHBondContact O-CG2 3.27Å; I561-V565 PolarHBondContact O-N 3Å; A562-V565 PolarHBondContact O-N 3.41Å; V565-K651 PolarHBondContact O-NZ 2.92Å; V565-Y818 HydrophobicContact CG2-CD1 3.87Å; V565-Y818 HydrophobicContact CG2-CG 4Å |
| 566 | K | 86.5 | Confident | 87.3 | Confident | 79 Ų | 79 | 37.2 Ų | 37.2 | 34% | 0.343 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -79.3 | -23 | -173.3 | -65.1 | -76.6 | 169.5 | 158.7 | 0 | 114 | N524 F527 A562 R568 | N524-K566 WeakPolarHBondContact O-CD 3.34Å; N524-K566 WeakPolarHBondContact O-CE 3.35Å; N524-K566 PolarHBondContact O-NZ 3.03Å; F527-K566 HydrophobicContact CB-CB 3.76Å; F527-K566 HydrophobicContact CB-CG 4.49Å; F527-K566 HydrophobicContact CD1-CB 4.04Å; F527-K566 HydrophobicContact CD2-CB 4.32Å; F527-K566 HydrophobicContact CG-CB 3.76Å; A562-K566 WeakPolarHBondContact O-CB 3.42Å; A562-K566 VanDerWaalsContact O-CG 3.22Å; A562-K566 WeakPolarHBondContact O-CG 3.49Å; A562-K566 PolarHBondContact O-N 3.47Å; K566-R568 PolarHBondContact O-N 3.21Å |
| 567 | S | 84.3 | Confident | 87.4 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 135.7 | 176.3 | 61.8 | 0 | 0 | 0 | 0 | 112.3 | C563 S564 K651 S652 | C563-S567 WeakPolarHBondContact O-CB 3.41Å; C563-S567 PolarHBondContact O-N 2.83Å; C563-S567 VanDerWaalsContact O-N 3.07Å; C563-S567 PolarHBondContact O-OG 2.71Å; S564-S567 PolarHBondContact O-OG 2.93Å; S567-K651 WeakPolarHBondContact O-CE 3.37Å; S567-K651 PolarHBondContact O-NZ 2.73Å; S567-K651 WeakPolarHBondContact OG-CE 3.29Å; S567-S652 WeakPolarHBondContact CB-O 3.49Å; S567-S652 PolarHBondContact OG-O 3.25Å |
| 568 | R | 80.9 | Confident | 87.4 | Confident | 85 Ų | 85 | 40.6 Ų | 40.6 | 32% | 0.321 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -84.8 | 148.9 | 177.2 | -64.4 | 178.4 | 176.4 | -165.4 | -1.6 | 109.9 | N528 K566 E960 Y975 | N528-R568 PolarHBondContact ND2-NH2 2.96Å; K566-R568 PolarHBondContact O-N 3.21Å; R568-E960 IonicContact CZ-OE1 2.83Å; R568-E960 IonicContact NH2-OE1 3.58Å; R568-E960 PolarHBondContact NH2-OE1 3.08Å; R568-Y975 VanDerWaalsContact NH1-CE2 3.25Å; R568-Y975 PolarHBondContact NH1-OH 3.32Å; R568-Y975 PolarHBondContact NH2-OH 2.68Å |
| 569 | S | 85.1 | Confident | 87.1 | Confident | 67 Ų | 67 | 46.7 Ų | 46.7 | 47% | 0.469 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 136.8 | 166.4 | 53.2 | 0 | 0 | 0 | 0 | 109 | V650 | S569-V650 CarbonylContact C-O 3.53Å; S569-V650 VanDerWaalsContact CA-O 3.27Å; S569-V650 WeakPolarHBondContact CA-O 3.5Å |
| 570 | R | 87.5 | Confident | 86.9 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 21% | 0.211 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.9 | -179 | 62 | -169.3 | -171.4 | -75.4 | 2.1 | 110.3 | V572 G613 D618 T649 V650 S652 | R570-V572 HydrophobicContact CG-CG2 4.15Å; R570-G613 PolarHBondContact NH2-O 3.02Å; R570-D618 IonicContact CZ-OD1 2.69Å; R570-D618 IonicContact CZ-OD2 3.66Å; R570-D618 IonicContact NH1-OD1 3.64Å; R570-D618 PolarHBondContact NH1-OD1 3.11Å; R570-D618 VanDerWaalsContact NH1-OD1 3.13Å; R570-D618 IonicContact NH2-OD1 3.07Å; R570-D618 PolarHBondContact NH2-OD1 2.9Å; R570-D618 IonicContact NH2-OD2 3.4Å; R570-D618 PolarHBondContact NH2-OD2 3.17Å; R570-T649 CarbonylContact O-C 3.5Å; R570-T649 WeakPolarHBondContact O-CA 3.27Å; R570-V650 HydrophobicContact CG-CG2 3.64Å; R570-V650 PolarHBondContact N-O 2.95Å; R570-V650 PolarHBondContact O-N 3.21Å; R570-S652 PolarHBondContact NH1-OG 2.97Å |
| 571 | V | 90.4 | Very high | 86.8 | Confident | 93 Ų | 93 | 56 Ų | 56 | 56% | 0.564 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 125.6 | 173.7 | -177 | 0 | 0 | 0 | 0 | 108.3 | S647 M648 | V571-S647 WeakPolarHBondContact CG1-OG 3.4Å; V571-M648 CarbonylContact C-O 3.45Å; V571-M648 WeakPolarHBondContact CA-O 3.46Å |
| 572 | V | 89.9 | Confident | 86.9 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.8 | -176.2 | 167.1 | 0 | 0 | 0 | 0 | 106.8 | R570 V612 L614 M648 V650 | R570-V572 HydrophobicContact CG-CG2 4.15Å; V572-V612 HydrophobicContact CB-CG1 4.17Å; V572-V612 HydrophobicContact CG1-CB 3.91Å; V572-V612 HydrophobicContact CG1-CG1 3.26Å; V572-L614 HydrophobicContact CG1-CD1 4.49Å; V572-L614 HydrophobicContact CG1-CD2 3.97Å; V572-L614 HydrophobicContact CG1-CG 3.92Å; V572-M648 HydrophobicContact CG1-CE 4.17Å; V572-M648 PolarHBondContact N-O 2.62Å; V572-M648 PolarHBondContact O-N 3.29Å; V572-V650 HydrophobicContact CB-CG2 4.46Å; V572-V650 HydrophobicContact CG2-CG2 3.67Å |
| 573 | T | 91.5 | Very high | 86.9 | Confident | 93 Ų | 93 | 61 Ų | 61 | 57% | 0.571 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 100.7 | 176.9 | -55.4 | 0 | 0 | 0 | 0 | 109.3 | V612 L646 | T573-V612 WeakPolarHBondContact O-CG1 3.46Å; T573-L646 CarbonylContact C-O 3.59Å; T573-L646 WeakPolarHBondContact CA-O 3.28Å |
| 574 | Y | 91.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125 | 178.9 | 177.3 | -104 | 0 | 0 | 0 | 110.1 | R576 L583 F585 A608 A609 V612 L646 M648 | Y574-R576 HydrophobicContact CD1-CG 4.37Å; Y574-R576 HydrophobicContact CE1-CG 3.49Å; Y574-R576 VanDerWaalsContact CE1-CG 3.49Å; Y574-L583 HydrophobicContact CE1-CD2 4.15Å; Y574-L583 PolarHBondContact OH-O 3.14Å; Y574-F585 HydrophobicContact CD1-CE1 4.25Å; Y574-F585 HydrophobicContact CE1-CE1 4.17Å; Y574-A608 HydrophobicContact CE2-CB 3.82Å; Y574-A609 HydrophobicContact CD2-CB 4.33Å; Y574-A609 HydrophobicContact CE2-CB 3.9Å; Y574-V612 HydrophobicContact CD2-CG2 4.39Å; Y574-L646 HydrophobicContact CD1-CD1 4.09Å; Y574-L646 PolarHBondContact N-O 2.76Å; Y574-L646 PolarHBondContact O-N 3.24Å; Y574-M648 HydrophobicContact CG-CE 4.45Å |
| 575 | A | 90 | Very high | 87.5 | Confident | 53 Ų | 53 | 63 Ų | 63 | 44% | 0.438 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T644 | A575-T644 CarbonylContact C-O 3.55Å; A575-T644 WeakPolarHBondContact CA-O 3.46Å |
| 576 | R | 91 | Very high | 87.9 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 5% | 0.049 | 34% | 0.338 | C | S | . | . | trans | -116.4 | 152 | 172.7 | -67.5 | -177.1 | -69.7 | 151.2 | 7.2 | 110 | Y574 R579 E581 L640 R641 S643 T644 | Y574-R576 HydrophobicContact CD1-CG 4.37Å; Y574-R576 HydrophobicContact CE1-CG 3.49Å; Y574-R576 VanDerWaalsContact CE1-CG 3.49Å; R576-R579 PolarHBondContact NH1-O 3.39Å; R576-E581 HydrophobicContact CB-CB 4.45Å; R576-E581 PolarHBondContact NH1-O 3.32Å; R576-L640 PolarHBondContact NH2-O 3.33Å; R576-R641 PolarHBondContact NH2-O 3.25Å; R576-S643 PolarHBondContact NH2-O 3.39Å; R576-T644 PolarHBondContact N-O 2.85Å | ||
| 577 | S | 89 | Confident | 88.1 | Confident | 100 Ų | 100 | 59.1 Ų | 59.1 | 70% | 0.699 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -70.8 | -33.3 | 179.7 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | E581 | S577-E581 WeakPolarHBondContact CB-OE2 3.23Å; S577-E581 PolarHBondContact N-OE2 3.05Å; S577-E581 PolarHBondContact OG-OE2 3.38Å |
| 578 | N | 86.2 | Confident | 88.3 | Confident | 70 Ų | 70 | 60.7 Ų | 60.7 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -148.2 | 168.1 | 178.2 | 65.3 | 68.6 | 0 | 0 | 0 | 110.6 | D580 E581 | N578-D580 VanDerWaalsContact C-N 3.33Å; N578-D580 WeakPolarHBondContact OD1-CA 3.46Å; N578-D580 PolarHBondContact OD1-N 3.43Å; N578-E581 PolarHBondContact OD1-N 3.08Å |
| 579 | R | 84.1 | Confident | 88.5 | Confident | 150 Ų | 150 | 56.7 Ų | 56.7 | 57% | 0.566 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -74.3 | -25 | -176.7 | -69.4 | 178.2 | 64.3 | 174.8 | -2.6 | 113.2 | R576 S642 T644 | R576-R579 PolarHBondContact NH1-O 3.39Å; R579-S642 PolarHBondContact NE-O 2.93Å; R579-S642 VanDerWaalsContact NE-O 3.08Å; R579-S642 PolarHBondContact NH2-O 2.88Å; R579-T644 HydrophobicContact CG-CG2 3.58Å |
| 580 | D | 83.7 | Confident | 88.3 | Confident | 155 Ų | 155 | 53.5 Ų | 53.5 | 83% | 0.829 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -82.1 | -18.7 | -176.6 | -58.3 | -38.1 | 0 | 0 | 0 | 112.7 | N578 | N578-D580 VanDerWaalsContact C-N 3.33Å; N578-D580 WeakPolarHBondContact OD1-CA 3.46Å; N578-D580 PolarHBondContact OD1-N 3.43Å |
| 581 | E | 85.7 | Confident | 87.6 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -59.1 | 135.7 | 174.4 | -171.3 | -179.5 | 169.1 | 0 | 0 | 110.5 | R576 S577 N578 | R576-E581 HydrophobicContact CB-CB 4.45Å; R576-E581 PolarHBondContact NH1-O 3.32Å; S577-E581 WeakPolarHBondContact CB-OE2 3.23Å; S577-E581 PolarHBondContact N-OE2 3.05Å; S577-E581 PolarHBondContact OG-OE2 3.38Å; N578-E581 PolarHBondContact OD1-N 3.08Å |
| 582 | V | 87.7 | Confident | 86.5 | Confident | 95 Ų | 95 | 54.1 Ų | 54.1 | 58% | 0.576 | 30% | 0.303 | S | S | * | . | trans | -66 | 148.6 | 179 | -65.1 | 0 | 0 | 0 | 0 | 111 | H584 | V582-H584 PolarHBondContact O-CD2 3.33Å; V582-H584 PolarHBondContact O-N 3.31Å; V582-H584 VanDerWaalsContact O-N 3.09Å | ||
| 583 | L | 85 | Confident | 85 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | trans | -66.7 | -9.7 | -178.5 | -71.1 | 167.9 | 0 | 0 | 0 | 113.8 | Y574 F585 L640 R641 L646 | Y574-L583 HydrophobicContact CE1-CD2 4.15Å; Y574-L583 PolarHBondContact OH-O 3.14Å; L583-F585 HydrophobicContact CB-CD1 4.07Å; L583-F585 HydrophobicContact CB-CE1 3.86Å; L583-F585 HydrophobicContact CB-CZ 4.16Å; L583-F585 HydrophobicContact CD1-CZ 4.33Å; L583-F585 HydrophobicContact CD2-CE1 4.27Å; L583-F585 HydrophobicContact CD2-CZ 4.3Å; L583-F585 WeakPolarHBondContact O-CD1 3.41Å; L583-F585 WeakPolarHBondContact O-CE1 3.29Å; L583-F585 PolarHBondContact O-N 2.83Å; L583-L640 HydrophobicContact CD1-CB 3.78Å; L583-L640 HydrophobicContact CD1-CD1 4.5Å; L583-R641 HydrophobicContact CD1-CG 4.38Å; L583-L646 HydrophobicContact CD2-CD1 3.92Å | ||
| 584 | H | 90.8 | Very high | 83.3 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 26% | 0.259 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 53.6 | 13 | -172.6 | -69.7 | -68.3 | 0 | 0 | 0 | 115.7 | V582 D604 A609 | V582-H584 PolarHBondContact O-CD2 3.33Å; V582-H584 PolarHBondContact O-N 3.31Å; V582-H584 VanDerWaalsContact O-N 3.09Å; H584-D604 WeakPolarHBondContact CA-OD2 3.34Å; H584-D604 HydrophobicContact CB-CB 4.29Å; H584-D604 IonicContact CG-OD2 2.69Å; H584-D604 IonicContact ND1-OD2 3.3Å; H584-D604 PolarHBondContact ND1-OD2 3.5Å; H584-D604 VanDerWaalsContact ND1-OD2 3.1Å; H584-D604 PolarHBondContact O-N 3.01Å; H584-A609 HydrophobicContact CB-CB 4.23Å |
| 585 | F | 92.9 | Very high | 81.7 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 156.2 | 166 | 65.2 | -90.7 | 0 | 0 | 0 | 109.3 | Y574 L583 I587 V600 K602 V603 A609 L614 I620 L640 M648 | Y574-F585 HydrophobicContact CD1-CE1 4.25Å; Y574-F585 HydrophobicContact CE1-CE1 4.17Å; L583-F585 HydrophobicContact CB-CD1 4.07Å; L583-F585 HydrophobicContact CB-CE1 3.86Å; L583-F585 HydrophobicContact CB-CZ 4.16Å; L583-F585 HydrophobicContact CD1-CZ 4.33Å; L583-F585 HydrophobicContact CD2-CE1 4.27Å; L583-F585 HydrophobicContact CD2-CZ 4.3Å; L583-F585 WeakPolarHBondContact O-CD1 3.41Å; L583-F585 WeakPolarHBondContact O-CE1 3.29Å; L583-F585 PolarHBondContact O-N 2.83Å; F585-I587 HydrophobicContact CD2-CG2 4.06Å; F585-I587 HydrophobicContact CE2-CG2 3.88Å; F585-V600 HydrophobicContact CB-CG1 4.31Å; F585-K602 CarbonylContact C-O 3.54Å; F585-K602 WeakPolarHBondContact CA-O 3.22Å; F585-K602 WeakPolarHBondContact CB-O 3.5Å; F585-V603 HydrophobicContact CB-CG2 4.09Å; F585-A609 HydrophobicContact CB-CB 4.38Å; F585-A609 HydrophobicContact CD1-CB 3.81Å; F585-L614 HydrophobicContact CD1-CD1 3.69Å; F585-L614 HydrophobicContact CE1-CD1 3.79Å; F585-L614 HydrophobicContact CG-CD1 4.23Å; F585-L614 HydrophobicContact CZ-CD1 4.38Å; F585-I620 HydrophobicContact CE2-CD1 4.49Å; F585-L640 HydrophobicContact CE2-CD1 4.38Å; F585-L640 HydrophobicContact CZ-CD2 4.4Å; F585-M648 HydrophobicContact CE1-CE 4.47Å; F585-M648 HydrophobicContact CZ-CE 4.37Å; F585-M648 HydrophobicContact CZ-SD 4.28Å |
| 586 | S | 92.1 | Very high | 80.8 | Confident | 51 Ų | 51 | 63 Ų | 63 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 145 | 176.3 | 62.3 | 0 | 0 | 0 | 0 | 110.1 | A601 K602 | S586-A601 PolarHBondContact O-N 2.57Å; S586-K602 PolarHBondContact N-O 2.97Å; S586-K602 WeakPolarHBondContact OG-CB 3.23Å; S586-K602 PolarHBondContact OG-N 2.77Å |
| 587 | I | 91.8 | Very high | 80.3 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 151.3 | 176.1 | 65.6 | 170.7 | 0 | 0 | 0 | 111.4 | F585 I598 Y599 I620 R633 A636 L637 L640 | F585-I587 HydrophobicContact CD2-CG2 4.06Å; F585-I587 HydrophobicContact CE2-CG2 3.88Å; I587-I598 HydrophobicContact CB-CG2 3.93Å; I587-I598 HydrophobicContact CD1-CG2 3.83Å; I587-I598 HydrophobicContact CG1-CG2 4.45Å; I587-I598 HydrophobicContact CG2-CG2 4.1Å; I587-Y599 CarbonylContact C-O 3.59Å; I587-Y599 WeakPolarHBondContact CA-O 3.16Å; I587-I620 HydrophobicContact CG2-CD1 4.01Å; I587-R633 VanDerWaalsContact O-CZ 3.26Å; I587-R633 PolarHBondContact O-NH1 2.99Å; I587-R633 PolarHBondContact O-NH2 3.44Å; I587-R633 VanDerWaalsContact O-NH2 3.09Å; I587-A636 HydrophobicContact CD1-CB 3.94Å; I587-L637 HydrophobicContact CD1-CD2 3.78Å; I587-L637 HydrophobicContact CD1-CG 3.96Å; I587-L637 HydrophobicContact CG1-CD2 3.88Å; I587-L637 HydrophobicContact CG1-CG 4.39Å; I587-L640 HydrophobicContact CD1-CD1 3.95Å; I587-L640 HydrophobicContact CG2-CD1 4.1Å |
| 588 | L | 87.9 | Confident | 80.4 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 166.3 | 169.5 | -76.5 | 176.1 | 0 | 0 | 0 | 109.9 | Y599 A601 F657 M660 L661 | L588-Y599 PolarHBondContact N-O 3.04Å; L588-Y599 PolarHBondContact O-N 2.9Å; L588-A601 HydrophobicContact CB-CB 4Å; L588-A601 HydrophobicContact CD1-CB 3.4Å; L588-A601 HydrophobicContact CG-CB 3.45Å; L588-A601 VanDerWaalsContact CG-CB 3.45Å; L588-F657 HydrophobicContact CD1-CE2 4.24Å; L588-M660 HydrophobicContact CB-CE 3.48Å; L588-M660 VanDerWaalsContact CB-CE 3.48Å; L588-M660 HydrophobicContact CB-SD 4.04Å; L588-M660 HydrophobicContact CD1-CE 4.23Å; L588-L661 HydrophobicContact CD1-CD2 3.95Å |
| 589 | G | 84.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 90.2 | -154.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G597 M660 | G589-G597 WeakPolarHBondContact CA-O 3.31Å; G589-M660 WeakPolarHBondContact CA-SD 3.37Å; G589-M660 PolarHBondContact N-SD 3Å |
| 590 | G | 80.4 | Confident | 81 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | 117.7 | 149.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D592 R593 C595 G597 | G590-D592 VanDerWaalsContact C-OD1 3.23Å; G590-D592 WeakPolarHBondContact CA-OD1 3.2Å; G590-D592 PolarHBondContact O-N 3.08Å; G590-R593 PolarHBondContact O-N 3.22Å; G590-C595 CarbonylContact C-O 3.59Å; G590-G597 PolarHBondContact N-O 3Å | ||
| 591 | S | 74 | Confident | 81.2 | Confident | 64 Ų | 64 | 40.8 Ų | 40.8 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9.5 | -178.7 | 50.2 | 0 | 0 | 0 | 0 | 115.1 | R593 R630 V631 N632 | S591-R593 CarbonylContact C-O 3.52Å; S591-R630 WeakPolarHBondContact CB-O 3.38Å; S591-R630 PolarHBondContact OG-O 2.91Å; S591-V631 PolarHBondContact N-O 3.37Å; S591-N632 PolarHBondContact OG-N 3.19Å |
| 592 | D | 66.3 | Low | 81.3 | Confident | 98 Ų | 98 | 44.2 Ų | 44.2 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -31.3 | 174 | 53 | -59.4 | 0 | 0 | 0 | 112.9 | G590 R633 | G590-D592 VanDerWaalsContact C-OD1 3.23Å; G590-D592 WeakPolarHBondContact CA-OD1 3.2Å; G590-D592 PolarHBondContact O-N 3.08Å; D592-R633 PolarHBondContact OD1-N 3.25Å |
| 593 | R | 58.6 | Low | 81.4 | Confident | 99 Ų | 99 | 40.7 Ų | 40.7 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 156.7 | 168.7 | -58.8 | -175 | -178.5 | -157.2 | -9.2 | 106.6 | G590 S591 C595 E664 | G590-R593 PolarHBondContact O-N 3.22Å; S591-R593 CarbonylContact C-O 3.52Å; R593-C595 HydrophobicContact CB-CB 4.17Å; R593-C595 PolarHBondContact O-N 3Å; R593-E664 IonicContact CZ-OE1 3.92Å; R593-E664 IonicContact NH1-OE1 2.8Å; R593-E664 PolarHBondContact NH1-OE1 2.96Å; R593-E664 IonicContact NH1-OE2 3.76Å |
| 594 | H | 55.9 | Low | 81.7 | Confident | 176 Ų | 176 | 42.9 Ų | 42.9 | 82% | 0.815 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 14.4 | 172.3 | -50.5 | -64.7 | 0 | 0 | 0 | 113.8 | ||
| 595 | C | 58.7 | Low | 81.4 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | trans | -100.6 | 125.4 | -178.6 | -54.9 | 0 | 0 | 0 | 0 | 109.4 | G590 R593 G597 M660 | G590-C595 CarbonylContact C-O 3.59Å; R593-C595 HydrophobicContact CB-CB 4.17Å; R593-C595 PolarHBondContact O-N 3Å; C595-G597 PolarHBondContact O-N 3.32Å; C595-M660 HydrophobicContact CB-CB 4.39Å; C595-M660 HydrophobicContact CB-CG 3.99Å | ||
| 596 | C | 69.4 | Low | 81 | Confident | 61 Ų | 61 | 50.9 Ų | 50.9 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | trans | -95.5 | 83.3 | 179 | -69.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 597 | G | 81.6 | Confident | 80.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 154.2 | 163.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G589 G590 C595 | G589-G597 WeakPolarHBondContact CA-O 3.31Å; G590-G597 PolarHBondContact N-O 3Å; C595-G597 PolarHBondContact O-N 3.32Å |
| 598 | I | 90.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 126.3 | 171.8 | -59.9 | -66.9 | 0 | 0 | 0 | 108.3 | I587 Q619 I620 F628 A636 | I587-I598 HydrophobicContact CB-CG2 3.93Å; I587-I598 HydrophobicContact CD1-CG2 3.83Å; I587-I598 HydrophobicContact CG1-CG2 4.45Å; I587-I598 HydrophobicContact CG2-CG2 4.1Å; I598-Q619 WeakPolarHBondContact O-CA 3.13Å; I598-I620 HydrophobicContact CG2-CB 4.41Å; I598-I620 HydrophobicContact CG2-CD1 4.1Å; I598-I620 HydrophobicContact CG2-CG1 4.46Å; I598-I620 PolarHBondContact O-N 3.25Å; I598-F628 HydrophobicContact CB-CD1 4.26Å; I598-F628 HydrophobicContact CG1-CD1 4.13Å; I598-F628 HydrophobicContact CG2-CD1 4.33Å; I598-A636 HydrophobicContact CD1-CB 3.82Å; I598-A636 HydrophobicContact CG1-CB 4.04Å |
| 599 | Y | 90.9 | Very high | 80.6 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.1 | -176.4 | -62.2 | -94 | 0 | 0 | 0 | 111.8 | I587 L588 A601 D618 Q619 N653 F657 M660 | I587-Y599 CarbonylContact C-O 3.59Å; I587-Y599 WeakPolarHBondContact CA-O 3.16Å; L588-Y599 PolarHBondContact N-O 3.04Å; L588-Y599 PolarHBondContact O-N 2.9Å; Y599-A601 PolarHBondContact O-N 2.66Å; Y599-D618 CarbonylContact C-O 3.52Å; Y599-D618 VanDerWaalsContact CA-O 3.24Å; Y599-D618 WeakPolarHBondContact CA-O 3.47Å; Y599-Q619 HydrophobicContact CD1-CB 3.86Å; Y599-Q619 HydrophobicContact CD1-CG 4.23Å; Y599-Q619 HydrophobicContact CE1-CB 3.72Å; Y599-Q619 HydrophobicContact CE1-CG 3.89Å; Y599-N653 HydrophobicContact CE1-CB 4.14Å; Y599-F657 HydrophobicContact CD1-CB 3.88Å; Y599-F657 HydrophobicContact CE1-CB 4.38Å; Y599-F657 HydrophobicContact CG-CB 4.32Å; Y599-F657 HydrophobicContact CG-CD2 4.21Å; Y599-M660 HydrophobicContact CD2-CE 4.24Å; Y599-M660 HydrophobicContact CD2-SD 3.59Å; Y599-M660 VanDerWaalsContact CD2-SD 3.59Å; Y599-M660 HydrophobicContact CE2-SD 4.22Å; Y599-M660 HydrophobicContact CG-CE 4.46Å; Y599-M660 HydrophobicContact CG-SD 4.37Å |
| 600 | V | 92.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 117.2 | 171 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | F585 V603 K615 R616 G617 D618 I620 | F585-V600 HydrophobicContact CB-CG1 4.31Å; V600-V603 HydrophobicContact CG1-CG2 3.47Å; V600-V603 VanDerWaalsContact CG1-CG2 3.47Å; V600-K615 WeakPolarHBondContact CB-O 3.03Å; V600-K615 WeakPolarHBondContact CG1-O 3.41Å; V600-R616 WeakPolarHBondContact O-CA 3.33Å; V600-G617 PolarHBondContact O-N 2.7Å; V600-D618 HydrophobicContact CB-CB 4.19Å; V600-D618 HydrophobicContact CG2-CB 3.97Å; V600-D618 PolarHBondContact N-O 3.26Å; V600-I620 HydrophobicContact CG2-CD1 4.29Å; V600-I620 HydrophobicContact CG2-CG1 4.25Å |
| 601 | A | 87.6 | Confident | 81 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 12% | 0.124 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -39.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S586 L588 Y599 R616 F657 | S586-A601 PolarHBondContact O-N 2.57Å; L588-A601 HydrophobicContact CB-CB 4Å; L588-A601 HydrophobicContact CD1-CB 3.4Å; L588-A601 HydrophobicContact CG-CB 3.45Å; L588-A601 VanDerWaalsContact CG-CB 3.45Å; Y599-A601 PolarHBondContact O-N 2.66Å; A601-R616 VanDerWaalsContact O-CD 3.28Å; A601-R616 WeakPolarHBondContact O-CD 3.37Å; A601-R616 VanDerWaalsContact O-CG 3.27Å; A601-R616 WeakPolarHBondContact O-CG 3.37Å; A601-R616 PolarHBondContact O-NE 3.32Å; A601-F657 HydrophobicContact CB-CE2 4.12Å; A601-F657 HydrophobicContact CB-CZ 4.42Å |
| 602 | K | 88.1 | Confident | 81.6 | Confident | 128 Ų | 128 | 60.8 Ų | 60.8 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 143.5 | 176.7 | -173.4 | -178.9 | 175.6 | -172.7 | 0 | 108.8 | F585 S586 | F585-K602 CarbonylContact C-O 3.54Å; F585-K602 WeakPolarHBondContact CA-O 3.22Å; F585-K602 WeakPolarHBondContact CB-O 3.5Å; S586-K602 PolarHBondContact N-O 2.97Å; S586-K602 WeakPolarHBondContact OG-CB 3.23Å; S586-K602 PolarHBondContact OG-N 2.77Å |
| 603 | V | 89.4 | Confident | 82.4 | Confident | 21 Ų | 21 | 57.7 Ų | 57.7 | 13% | 0.127 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.2 | 169.2 | -175.8 | 0 | 0 | 0 | 0 | 106.8 | F585 V600 A609 E610 L614 | F585-V603 HydrophobicContact CB-CG2 4.09Å; V600-V603 HydrophobicContact CG1-CG2 3.47Å; V600-V603 VanDerWaalsContact CG1-CG2 3.47Å; V603-A609 HydrophobicContact CG1-CB 3.84Å; V603-E610 HydrophobicContact CG1-CB 3.85Å; V603-L614 HydrophobicContact CG2-CB 4.2Å |
| 604 | D | 90.8 | Very high | 83.8 | Confident | 60 Ų | 60 | 53.2 Ų | 53.2 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | trans | -72 | 132.9 | 177.7 | -67.2 | -23.5 | 0 | 0 | 0 | 109.9 | H584 S607 | H584-D604 WeakPolarHBondContact CA-OD2 3.34Å; H584-D604 HydrophobicContact CB-CB 4.29Å; H584-D604 IonicContact CG-OD2 2.69Å; H584-D604 IonicContact ND1-OD2 3.3Å; H584-D604 PolarHBondContact ND1-OD2 3.5Å; H584-D604 VanDerWaalsContact ND1-OD2 3.1Å; H584-D604 PolarHBondContact O-N 3.01Å; D604-S607 WeakPolarHBondContact O-CB 3.38Å; D604-S607 PolarHBondContact O-N 2.97Å; D604-S607 PolarHBondContact O-OG 3.12Å | ||
| 605 | C | 85.1 | Confident | 85.2 | Confident | 105 Ų | 105 | 47.9 Ų | 47.9 | 71% | 0.709 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 141.7 | -179.8 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | S607 E610 | C605-S607 PolarHBondContact O-N 3.46Å; C605-S607 VanDerWaalsContact O-N 3.13Å; C605-E610 WeakPolarHBondContact CA-OE2 3.29Å |
| 606 | N | 83.9 | Confident | 86.5 | Confident | 139 Ų | 139 | 55.3 Ų | 55.3 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 13.6 | -176.2 | -62.8 | -39.3 | 0 | 0 | 0 | 115.1 | E610 | N606-E610 PolarHBondContact N-OE2 3.3Š|
| 607 | S | 90.5 | Very high | 87.2 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -78.7 | 165.6 | 178.6 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | D604 C605 A609 E610 K611 | D604-S607 WeakPolarHBondContact O-CB 3.38Å; D604-S607 PolarHBondContact O-N 2.97Å; D604-S607 PolarHBondContact O-OG 3.12Å; C605-S607 PolarHBondContact O-N 3.46Å; C605-S607 VanDerWaalsContact O-N 3.13Å; S607-A609 PolarHBondContact O-N 3.29Å; S607-A609 PolarHBondContact OG-N 3.22Å; S607-E610 PolarHBondContact O-N 3.49Å; S607-E610 PolarHBondContact OG-N 3.21Å; S607-K611 WeakPolarHBondContact O-CG 3.36Å; S607-K611 PolarHBondContact O-N 3.43Å |
| 608 | A | 86.5 | Confident | 87.6 | Confident | 42 Ų | 42 | 52.4 Ų | 52.4 | 35% | 0.347 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.5 | -32.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y574 K611 V612 | Y574-A608 HydrophobicContact CE2-CB 3.82Å; A608-K611 PolarHBondContact O-N 3.06Å; A608-V612 VanDerWaalsContact O-CG2 3.28Å; A608-V612 WeakPolarHBondContact O-CG2 3.44Å; A608-V612 PolarHBondContact O-N 3.04Å; A608-V612 VanDerWaalsContact O-N 3.1Å |
| 609 | A | 87.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -43.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y574 H584 F585 V603 S607 L614 | Y574-A609 HydrophobicContact CD2-CB 4.33Å; Y574-A609 HydrophobicContact CE2-CB 3.9Å; H584-A609 HydrophobicContact CB-CB 4.23Å; F585-A609 HydrophobicContact CB-CB 4.38Å; F585-A609 HydrophobicContact CD1-CB 3.81Å; V603-A609 HydrophobicContact CG1-CB 3.84Å; S607-A609 PolarHBondContact O-N 3.29Å; S607-A609 PolarHBondContact OG-N 3.22Å; A609-L614 HydrophobicContact CB-CD1 4.1Å; A609-L614 WeakPolarHBondContact O-CB 3.43Å; A609-L614 PolarHBondContact O-N 3.39Å; A609-L614 VanDerWaalsContact O-N 3.12Å |
| 610 | E | 86.6 | Confident | 87.8 | Confident | 89 Ų | 89 | 52.8 Ų | 52.8 | 42% | 0.416 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 174.9 | -174.7 | 174.3 | -143.8 | 0 | 0 | 111.6 | V603 C605 N606 S607 V612 G613 | V603-E610 HydrophobicContact CG1-CB 3.85Å; C605-E610 WeakPolarHBondContact CA-OE2 3.29Å; N606-E610 PolarHBondContact N-OE2 3.3Å; S607-E610 PolarHBondContact O-N 3.49Å; S607-E610 PolarHBondContact OG-N 3.21Å; E610-V612 VanDerWaalsContact C-N 3.32Å; E610-V612 PolarHBondContact O-N 3.31Å; E610-G613 WeakPolarHBondContact O-CA 3.44Å; E610-G613 PolarHBondContact O-N 3.09Å |
| 611 | K | 86.1 | Confident | 87.7 | Confident | 168 Ų | 168 | 54 Ų | 54 | 73% | 0.73 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.2 | -32.6 | -179.9 | -70.8 | 176.1 | -175.6 | 178.6 | 0 | 113.9 | S607 A608 G613 | S607-K611 WeakPolarHBondContact O-CG 3.36Å; S607-K611 PolarHBondContact O-N 3.43Å; A608-K611 PolarHBondContact O-N 3.06Å; K611-G613 PolarHBondContact O-N 2.86Å |
| 612 | V | 88 | Confident | 87.8 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 33% | 0.327 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -5.3 | 174 | -166.4 | 0 | 0 | 0 | 0 | 111.3 | V572 T573 Y574 A608 E610 | V572-V612 HydrophobicContact CB-CG1 4.17Å; V572-V612 HydrophobicContact CG1-CB 3.91Å; V572-V612 HydrophobicContact CG1-CG1 3.26Å; T573-V612 WeakPolarHBondContact O-CG1 3.46Å; Y574-V612 HydrophobicContact CD2-CG2 4.39Å; A608-V612 VanDerWaalsContact O-CG2 3.28Å; A608-V612 WeakPolarHBondContact O-CG2 3.44Å; A608-V612 PolarHBondContact O-N 3.04Å; A608-V612 VanDerWaalsContact O-N 3.1Å; E610-V612 VanDerWaalsContact C-N 3.32Å; E610-V612 PolarHBondContact O-N 3.31Å |
| 613 | G | 83.2 | Confident | 88 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 22.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R570 E610 K611 | R570-G613 PolarHBondContact NH2-O 3.02Å; E610-G613 WeakPolarHBondContact O-CA 3.44Å; E610-G613 PolarHBondContact O-N 3.09Å; K611-G613 PolarHBondContact O-N 2.86Å |
| 614 | L | 88.1 | Confident | 87.9 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | trans | -75.5 | 137.5 | 166.6 | -66.3 | 171.9 | 0 | 0 | 0 | 110 | V572 F585 V603 A609 M648 V650 | V572-L614 HydrophobicContact CG1-CD1 4.49Å; V572-L614 HydrophobicContact CG1-CD2 3.97Å; V572-L614 HydrophobicContact CG1-CG 3.92Å; F585-L614 HydrophobicContact CD1-CD1 3.69Å; F585-L614 HydrophobicContact CE1-CD1 3.79Å; F585-L614 HydrophobicContact CG-CD1 4.23Å; F585-L614 HydrophobicContact CZ-CD1 4.38Å; V603-L614 HydrophobicContact CG2-CB 4.2Å; A609-L614 HydrophobicContact CB-CD1 4.1Å; A609-L614 WeakPolarHBondContact O-CB 3.43Å; A609-L614 PolarHBondContact O-N 3.39Å; A609-L614 VanDerWaalsContact O-N 3.12Å; L614-M648 HydrophobicContact CD1-CE 3.77Å; L614-M648 HydrophobicContact CD2-CE 4.26Å; L614-M648 HydrophobicContact CG-CE 4.48Å; L614-V650 HydrophobicContact CD2-CG1 4.03Å; L614-V650 HydrophobicContact CD2-CG2 4.43Å | ||
| 615 | K | 85.6 | Confident | 87.4 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | trans | -139.9 | 161.9 | 177.8 | 56.9 | -179.1 | 175.6 | -175.3 | 0 | 111.5 | V600 G617 D618 S652 | V600-K615 WeakPolarHBondContact CB-O 3.03Å; V600-K615 WeakPolarHBondContact CG1-O 3.41Å; K615-G617 PolarHBondContact O-N 2.93Å; K615-D618 VanDerWaalsContact CG-OD2 3.29Å; K615-D618 WeakPolarHBondContact CG-OD2 3.26Å; K615-D618 PolarHBondContact N-OD2 3.03Å; K615-D618 WeakPolarHBondContact O-CB 3.19Å; K615-D618 PolarHBondContact O-N 2.95Å; K615-S652 WeakPolarHBondContact CE-OG 3.09Å; K615-S652 PolarHBondContact NZ-OG 3.14Å | ||
| 616 | R | 84.7 | Confident | 87.3 | Confident | 159 Ų | 159 | 51.9 Ų | 51.9 | 60% | 0.6 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 135.8 | 174.8 | 177.9 | 172.3 | -176.9 | -171.8 | -1.4 | 110.4 | V600 A601 F657 | V600-R616 WeakPolarHBondContact O-CA 3.33Å; A601-R616 VanDerWaalsContact O-CD 3.28Å; A601-R616 WeakPolarHBondContact O-CD 3.37Å; A601-R616 VanDerWaalsContact O-CG 3.27Å; A601-R616 WeakPolarHBondContact O-CG 3.37Å; A601-R616 PolarHBondContact O-NE 3.32Å; R616-F657 HydrophobicContact CG-CE1 3.93Å; R616-F657 HydrophobicContact CG-CZ 4.08Å; R616-F657 VanDerWaalsContact NE-CE1 3.34Å |
| 617 | G | 84.6 | Confident | 87.2 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | -1.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V600 K615 Q619 N653 | V600-G617 PolarHBondContact O-N 2.7Å; K615-G617 PolarHBondContact O-N 2.93Å; G617-Q619 PolarHBondContact O-N 3.37Å; G617-N653 CarbonylContact O-C 3.45Å; G617-N653 VanDerWaalsContact O-C 3.22Å; G617-N653 PolarHBondContact O-N 3.45Å |
| 618 | D | 90.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 131 | 169.4 | -77.1 | -33.7 | 0 | 0 | 0 | 110.9 | R570 Y599 V600 K615 V650 S652 | R570-D618 IonicContact CZ-OD1 2.69Å; R570-D618 IonicContact CZ-OD2 3.66Å; R570-D618 IonicContact NH1-OD1 3.64Å; R570-D618 PolarHBondContact NH1-OD1 3.11Å; R570-D618 VanDerWaalsContact NH1-OD1 3.13Å; R570-D618 IonicContact NH2-OD1 3.07Å; R570-D618 PolarHBondContact NH2-OD1 2.9Å; R570-D618 IonicContact NH2-OD2 3.4Å; R570-D618 PolarHBondContact NH2-OD2 3.17Å; Y599-D618 CarbonylContact C-O 3.52Å; Y599-D618 VanDerWaalsContact CA-O 3.24Å; Y599-D618 WeakPolarHBondContact CA-O 3.47Å; V600-D618 HydrophobicContact CB-CB 4.19Å; V600-D618 HydrophobicContact CG2-CB 3.97Å; V600-D618 PolarHBondContact N-O 3.26Å; K615-D618 VanDerWaalsContact CG-OD2 3.29Å; K615-D618 WeakPolarHBondContact CG-OD2 3.26Å; K615-D618 PolarHBondContact N-OD2 3.03Å; K615-D618 WeakPolarHBondContact O-CB 3.19Å; K615-D618 PolarHBondContact O-N 2.95Å; D618-V650 HydrophobicContact CB-CB 4.49Å; D618-S652 WeakPolarHBondContact OD1-CA 3.42Å; D618-S652 PolarHBondContact OD1-OG 2.98Å |
| 619 | Q | 91.7 | Very high | 86.8 | Confident | 13 Ų | 13 | 53.5 Ų | 53.5 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.2 | 169.7 | -172.8 | 177.3 | 5.6 | 0 | 0 | 109.8 | I598 Y599 G617 L621 V650 K651 N653 | I598-Q619 WeakPolarHBondContact O-CA 3.13Å; Y599-Q619 HydrophobicContact CD1-CB 3.86Å; Y599-Q619 HydrophobicContact CD1-CG 4.23Å; Y599-Q619 HydrophobicContact CE1-CB 3.72Å; Y599-Q619 HydrophobicContact CE1-CG 3.89Å; G617-Q619 PolarHBondContact O-N 3.37Å; Q619-L621 HydrophobicContact CG-CD2 4Å; Q619-V650 CarbonylContact O-C 3.6Å; Q619-V650 VanDerWaalsContact O-CA 3.29Å; Q619-V650 WeakPolarHBondContact O-CA 3.25Å; Q619-K651 PolarHBondContact N-O 3.44Å; Q619-K651 PolarHBondContact O-N 3.41Å; Q619-N653 HydrophobicContact CB-CB 4Å; Q619-N653 PolarHBondContact OE1-ND2 3.34Å |
| 620 | I | 93.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.1 | 174.4 | -53 | -179.6 | 0 | 0 | 0 | 108.1 | F585 I587 I598 V600 V623 F628 V650 | F585-I620 HydrophobicContact CE2-CD1 4.49Å; I587-I620 HydrophobicContact CG2-CD1 4.01Å; I598-I620 HydrophobicContact CG2-CB 4.41Å; I598-I620 HydrophobicContact CG2-CD1 4.1Å; I598-I620 HydrophobicContact CG2-CG1 4.46Å; I598-I620 PolarHBondContact O-N 3.25Å; V600-I620 HydrophobicContact CG2-CD1 4.29Å; V600-I620 HydrophobicContact CG2-CG1 4.25Å; I620-V623 HydrophobicContact CG2-CG2 3.49Å; I620-V623 VanDerWaalsContact CG2-CG2 3.49Å; I620-F628 HydrophobicContact CB-CB 4.46Å; I620-F628 HydrophobicContact CB-CD1 4.18Å; I620-F628 HydrophobicContact CG2-CB 4.02Å; I620-F628 HydrophobicContact CG2-CD1 3.65Å; I620-F628 HydrophobicContact CG2-CE1 4.32Å; I620-F628 HydrophobicContact CG2-CG 3.92Å; I620-F628 WeakPolarHBondContact O-CB 3.48Å; I620-V650 HydrophobicContact CG1-CG1 4.26Å |
| 621 | L | 89.9 | Confident | 86.1 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -38.1 | -177.6 | -57.4 | 179.8 | 0 | 0 | 0 | 111.8 | Q619 F628 R629 T649 K651 | Q619-L621 HydrophobicContact CG-CD2 4Å; L621-F628 PolarHBondContact O-N 3.37Å; L621-R629 HydrophobicContact CD2-CG 4.49Å; L621-T649 WeakPolarHBondContact CB-O 3.48Å; L621-T649 PolarHBondContact N-O 2.87Å; L621-K651 HydrophobicContact CD1-CB 4.01Å |
| 622 | E | 90.8 | Very high | 86.1 | Confident | 84 Ų | 84 | 53.5 Ų | 53.5 | 39% | 0.393 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 146.6 | -178.5 | -165.1 | 176.3 | 143.8 | 0 | 0 | 111 | G625 N626 M648 T649 | E622-G625 WeakPolarHBondContact OE1-CA 3.2Å; E622-G625 PolarHBondContact OE1-N 3.02Å; E622-N626 CarbonylContact C-O 3.57Å; E622-N626 VanDerWaalsContact CA-O 3.24Å; E622-N626 WeakPolarHBondContact CA-O 3.31Å; E622-N626 WeakPolarHBondContact CG-O 3.47Å; E622-M648 CarbonylContact O-C 3.49Å; E622-M648 VanDerWaalsContact O-CA 3.31Å; E622-M648 WeakPolarHBondContact O-CA 3.28Å; E622-T649 PolarHBondContact N-O 3.41Å; E622-T649 PolarHBondContact O-N 2.93Å |
| 623 | V | 91.5 | Very high | 86 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 117.2 | 173.6 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | I620 G625 N626 F628 I639 L640 L646 S647 M648 | I620-V623 HydrophobicContact CG2-CG2 3.49Å; I620-V623 VanDerWaalsContact CG2-CG2 3.49Å; V623-G625 VanDerWaalsContact C-N 3.26Å; V623-G625 PolarHBondContact O-N 2.94Å; V623-N626 PolarHBondContact N-O 2.57Å; V623-N626 WeakPolarHBondContact O-CA 3.44Å; V623-N626 VanDerWaalsContact O-CB 3.28Å; V623-N626 WeakPolarHBondContact O-CB 3.5Å; V623-N626 PolarHBondContact O-N 3.12Å; V623-N626 PolarHBondContact O-ND2 2.85Å; V623-F628 HydrophobicContact CB-CD2 4Å; V623-F628 HydrophobicContact CB-CE2 3.5Å; V623-F628 VanDerWaalsContact CB-CE2 3.5Å; V623-F628 HydrophobicContact CB-CZ 3.81Å; V623-F628 HydrophobicContact CG2-CD1 3.99Å; V623-F628 HydrophobicContact CG2-CD2 3.73Å; V623-F628 HydrophobicContact CG2-CE1 3.73Å; V623-F628 HydrophobicContact CG2-CE2 3.48Å; V623-F628 VanDerWaalsContact CG2-CE2 3.48Å; V623-F628 HydrophobicContact CG2-CG 3.98Å; V623-F628 HydrophobicContact CG2-CZ 3.47Å; V623-F628 VanDerWaalsContact CG2-CZ 3.47Å; V623-I639 HydrophobicContact CB-CG2 4.47Å; V623-I639 HydrophobicContact CG1-CG2 4.26Å; V623-L640 HydrophobicContact CG1-CD2 4.15Å; V623-L640 HydrophobicContact CG2-CD2 4.02Å; V623-L646 HydrophobicContact CG1-CD2 4.03Å; V623-S647 WeakPolarHBondContact CA-O 3.49Å; V623-M648 HydrophobicContact CB-CG 4.46Å; V623-M648 HydrophobicContact CG1-CG 4.1Å; V623-M648 HydrophobicContact CG2-CB 4.48Å; V623-M648 HydrophobicContact CG2-CG 3.95Å; V623-M648 HydrophobicContact CG2-SD 4.44Å |
| 624 | N | 87.8 | Confident | 86.2 | Confident | 70 Ų | 70 | 58.5 Ų | 58.5 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 45.3 | 178.9 | -65.7 | -14.4 | 0 | 0 | 0 | 112.8 | N626 H645 S647 | N624-N626 VanDerWaalsContact C-N 3.28Å; N624-N626 PolarHBondContact O-N 2.9Å; N624-N626 PolarHBondContact O-ND2 3.22Å; N624-H645 PolarHBondContact ND2-O 3.14Å; N624-S647 PolarHBondContact N-O 3.12Å; N624-S647 PolarHBondContact OD1-N 3.16Å |
| 625 | G | 79.7 | Confident | 86.1 | Confident | 57 Ų | 57 | 64.8 Ų | 64.8 | 59% | 0.588 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -14.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | E622 V623 | E622-G625 WeakPolarHBondContact OE1-CA 3.2Å; E622-G625 PolarHBondContact OE1-N 3.02Å; V623-G625 VanDerWaalsContact C-N 3.26Å; V623-G625 PolarHBondContact O-N 2.94Å |
| 626 | N | 83.5 | Confident | 86.2 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 123.2 | 179.4 | -65.5 | -89.6 | 0 | 0 | 0 | 109.9 | E622 V623 N624 F628 I639 | E622-N626 CarbonylContact C-O 3.57Å; E622-N626 VanDerWaalsContact CA-O 3.24Å; E622-N626 WeakPolarHBondContact CA-O 3.31Å; E622-N626 WeakPolarHBondContact CG-O 3.47Å; V623-N626 PolarHBondContact N-O 2.57Å; V623-N626 WeakPolarHBondContact O-CA 3.44Å; V623-N626 VanDerWaalsContact O-CB 3.28Å; V623-N626 WeakPolarHBondContact O-CB 3.5Å; V623-N626 PolarHBondContact O-N 3.12Å; V623-N626 PolarHBondContact O-ND2 2.85Å; N624-N626 VanDerWaalsContact C-N 3.28Å; N624-N626 PolarHBondContact O-N 2.9Å; N624-N626 PolarHBondContact O-ND2 3.22Å; N626-F628 HydrophobicContact CB-CD2 4.37Å; N626-F628 HydrophobicContact CB-CE2 4.08Å; N626-F628 VanDerWaalsContact O-CD2 3.32Å; N626-F628 WeakPolarHBondContact O-CD2 3.29Å; N626-F628 PolarHBondContact O-N 2.99Å; N626-I639 HydrophobicContact CB-CD1 4.16Å; N626-I639 HydrophobicContact CB-CG2 4.47Å |
| 627 | N | 81.6 | Confident | 86.4 | Confident | 86 Ų | 86 | 55.3 Ų | 55.3 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 118.6 | 178.6 | -178.2 | -30.9 | 0 | 0 | 0 | 110.6 | R629 V631 | N627-R629 WeakPolarHBondContact OD1-CB 3.45Å; N627-R629 WeakPolarHBondContact OD1-CG 3.49Å; N627-R629 PolarHBondContact OD1-N 3.09Å; N627-V631 WeakPolarHBondContact O-CG2 3.5Å |
| 628 | F | 88.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -95.3 | 2.3 | -178.3 | -90.8 | -128 | 0 | 0 | 0 | 113.8 | I598 I620 L621 V623 N626 R630 A636 I639 L640 | I598-F628 HydrophobicContact CB-CD1 4.26Å; I598-F628 HydrophobicContact CG1-CD1 4.13Å; I598-F628 HydrophobicContact CG2-CD1 4.33Å; I620-F628 HydrophobicContact CB-CB 4.46Å; I620-F628 HydrophobicContact CB-CD1 4.18Å; I620-F628 HydrophobicContact CG2-CB 4.02Å; I620-F628 HydrophobicContact CG2-CD1 3.65Å; I620-F628 HydrophobicContact CG2-CE1 4.32Å; I620-F628 HydrophobicContact CG2-CG 3.92Å; I620-F628 WeakPolarHBondContact O-CB 3.48Å; L621-F628 PolarHBondContact O-N 3.37Å; V623-F628 HydrophobicContact CB-CD2 4Å; V623-F628 HydrophobicContact CB-CE2 3.5Å; V623-F628 VanDerWaalsContact CB-CE2 3.5Å; V623-F628 HydrophobicContact CB-CZ 3.81Å; V623-F628 HydrophobicContact CG2-CD1 3.99Å; V623-F628 HydrophobicContact CG2-CD2 3.73Å; V623-F628 HydrophobicContact CG2-CE1 3.73Å; V623-F628 HydrophobicContact CG2-CE2 3.48Å; V623-F628 VanDerWaalsContact CG2-CE2 3.48Å; V623-F628 HydrophobicContact CG2-CG 3.98Å; V623-F628 HydrophobicContact CG2-CZ 3.47Å; V623-F628 VanDerWaalsContact CG2-CZ 3.47Å; N626-F628 HydrophobicContact CB-CD2 4.37Å; N626-F628 HydrophobicContact CB-CE2 4.08Å; N626-F628 VanDerWaalsContact O-CD2 3.32Å; N626-F628 WeakPolarHBondContact O-CD2 3.29Å; N626-F628 PolarHBondContact O-N 2.99Å; F628-R630 VanDerWaalsContact C-N 3.25Å; F628-R630 PolarHBondContact O-N 3.34Å; F628-A636 HydrophobicContact CD1-CB 4.14Å; F628-A636 HydrophobicContact CE1-CB 3.63Å; F628-A636 HydrophobicContact CZ-CB 4.28Å; F628-I639 HydrophobicContact CE2-CB 4.23Å; F628-I639 HydrophobicContact CE2-CD1 3.93Å; F628-I639 HydrophobicContact CE2-CG2 3.86Å; F628-I639 HydrophobicContact CZ-CB 3.93Å; F628-I639 HydrophobicContact CZ-CD1 4.25Å; F628-I639 HydrophobicContact CZ-CG2 3.86Å; F628-L640 HydrophobicContact CE1-CD1 4.17Å; F628-L640 HydrophobicContact CE1-CD2 4.36Å; F628-L640 HydrophobicContact CE1-CG 4.04Å; F628-L640 HydrophobicContact CZ-CD2 4.44Å; F628-L640 HydrophobicContact CZ-CG 4.15Å | ||
| 629 | R | 80.7 | Confident | 86.5 | Confident | 142 Ų | 142 | 59.8 Ų | 59.8 | 54% | 0.536 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -27.8 | -177.2 | -62.9 | -175.8 | 177.2 | 122.9 | -1.2 | 113.7 | L621 N627 | L621-R629 HydrophobicContact CD2-CG 4.49Å; N627-R629 WeakPolarHBondContact OD1-CB 3.45Å; N627-R629 WeakPolarHBondContact OD1-CG 3.49Å; N627-R629 PolarHBondContact OD1-N 3.09Å |
| 630 | R | 75.7 | Confident | 86.4 | Confident | 163 Ų | 163 | 59.1 Ų | 59.1 | 62% | 0.615 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.5 | 22.8 | -177.3 | -65.3 | -169.9 | -177.7 | 177.9 | 7.6 | 114.1 | S591 F628 R822 | S591-R630 WeakPolarHBondContact CB-O 3.38Å; S591-R630 PolarHBondContact OG-O 2.91Å; F628-R630 VanDerWaalsContact C-N 3.25Å; F628-R630 PolarHBondContact O-N 3.34Å; R630-R822 VanDerWaalsContact NH2-NH1 3.12Å |
| 631 | V | 82.6 | Confident | 86.3 | Confident | 26 Ų | 26 | 66 Ų | 66 | 16% | 0.158 | 31% | 0.308 | C | S | . | . | trans | -82.1 | 142.7 | -179.4 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | S591 N627 R635 A636 | S591-V631 PolarHBondContact N-O 3.37Å; N627-V631 WeakPolarHBondContact O-CG2 3.5Å; V631-R635 HydrophobicContact CG1-CB 3.77Å; V631-R635 HydrophobicContact CG1-CG 3.94Å; V631-A636 HydrophobicContact CG1-CB 3.97Å | ||
| 632 | N | 86.5 | Confident | 86.1 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | trans | -72.2 | 158.5 | 173.6 | 70.6 | 16 | 0 | 0 | 0 | 109.8 | S591 Q634 R635 A636 | S591-N632 PolarHBondContact OG-N 3.19Å; N632-Q634 VanDerWaalsContact C-N 3.28Å; N632-Q634 PolarHBondContact O-N 2.67Å; N632-R635 PolarHBondContact O-N 3.27Å; N632-R635 WeakPolarHBondContact OD1-CA 3.25Å; N632-R635 WeakPolarHBondContact OD1-CB 3.42Å; N632-R635 PolarHBondContact OD1-N 3.18Å; N632-A636 WeakPolarHBondContact O-CB 3.16Å; N632-A636 PolarHBondContact O-N 2.98Å | ||
| 633 | R | 85.9 | Confident | 86.1 | Confident | 73 Ų | 73 | 65.2 Ų | 65.2 | 28% | 0.275 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.1 | -42.5 | -178.1 | -174.1 | -169.3 | 172.8 | 87.5 | 3.8 | 113 | I587 D592 A636 L637 | I587-R633 VanDerWaalsContact O-CZ 3.26Å; I587-R633 PolarHBondContact O-NH1 2.99Å; I587-R633 PolarHBondContact O-NH2 3.44Å; I587-R633 VanDerWaalsContact O-NH2 3.09Å; D592-R633 PolarHBondContact OD1-N 3.25Å; R633-A636 WeakPolarHBondContact O-CB 3.41Å; R633-A636 PolarHBondContact O-N 3.35Å; R633-L637 HydrophobicContact CG-CD1 4.49Å; R633-L637 WeakPolarHBondContact O-CG 3.17Å; R633-L637 PolarHBondContact O-N 3.49Å |
| 634 | Q | 86.6 | Confident | 85.9 | Confident | 118 Ų | 118 | 67 Ų | 67 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.9 | -48.1 | -174.4 | -177.2 | 59 | 25.4 | 0 | 0 | 111.8 | N632 A636 L637 E638 | N632-Q634 VanDerWaalsContact C-N 3.28Å; N632-Q634 PolarHBondContact O-N 2.67Å; Q634-A636 VanDerWaalsContact C-N 3.33Å; Q634-A636 PolarHBondContact O-N 3.09Å; Q634-L637 PolarHBondContact O-N 3.44Å; Q634-E638 WeakPolarHBondContact O-CG 3.24Å; Q634-E638 PolarHBondContact O-N 2.85Å |
| 635 | R | 85.5 | Confident | 86.1 | Confident | 137 Ų | 137 | 69.3 Ų | 69.3 | 52% | 0.517 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 176.3 | -172.1 | 62.2 | 173.3 | 173 | 0.5 | 111.7 | V631 N632 L637 E638 I639 | V631-R635 HydrophobicContact CG1-CB 3.77Å; V631-R635 HydrophobicContact CG1-CG 3.94Å; N632-R635 PolarHBondContact O-N 3.27Å; N632-R635 WeakPolarHBondContact OD1-CA 3.25Å; N632-R635 WeakPolarHBondContact OD1-CB 3.42Å; N632-R635 PolarHBondContact OD1-N 3.18Å; R635-L637 VanDerWaalsContact C-N 3.33Å; R635-L637 PolarHBondContact O-N 3.44Å; R635-E638 VanDerWaalsContact CD-OE2 3.22Å; R635-E638 WeakPolarHBondContact CD-OE2 3.4Å; R635-E638 IonicContact CZ-OE2 3.3Å; R635-E638 IonicContact NE-OE2 2.69Å; R635-E638 IonicContact NH1-OE2 3.63Å; R635-E638 PolarHBondContact NH1-OE2 3.22Å; R635-E638 WeakPolarHBondContact O-CB 3.27Å; R635-E638 PolarHBondContact O-N 3.33Å; R635-I639 HydrophobicContact CG-CD1 4.1Å; R635-I639 WeakPolarHBondContact O-CG1 2.93Å; R635-I639 PolarHBondContact O-N 3.43Å |
| 636 | A | 88.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | I587 I598 F628 V631 N632 R633 Q634 I639 L640 | I587-A636 HydrophobicContact CD1-CB 3.94Å; I598-A636 HydrophobicContact CD1-CB 3.82Å; I598-A636 HydrophobicContact CG1-CB 4.04Å; F628-A636 HydrophobicContact CD1-CB 4.14Å; F628-A636 HydrophobicContact CE1-CB 3.63Å; F628-A636 HydrophobicContact CZ-CB 4.28Å; V631-A636 HydrophobicContact CG1-CB 3.97Å; N632-A636 WeakPolarHBondContact O-CB 3.16Å; N632-A636 PolarHBondContact O-N 2.98Å; R633-A636 WeakPolarHBondContact O-CB 3.41Å; R633-A636 PolarHBondContact O-N 3.35Å; Q634-A636 VanDerWaalsContact C-N 3.33Å; Q634-A636 PolarHBondContact O-N 3.09Å; A636-I639 PolarHBondContact O-N 3.33Å; A636-L640 WeakPolarHBondContact O-CB 3.34Å; A636-L640 VanDerWaalsContact O-CG 3.22Å; A636-L640 WeakPolarHBondContact O-CG 3.49Å; A636-L640 PolarHBondContact O-N 3.49Å |
| 637 | L | 89.6 | Confident | 87.2 | Confident | 24 Ų | 24 | 65.5 Ų | 65.5 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 175 | -73.4 | 174.3 | 0 | 0 | 0 | 112.7 | I587 R633 Q634 R635 R641 | I587-L637 HydrophobicContact CD1-CD2 3.78Å; I587-L637 HydrophobicContact CD1-CG 3.96Å; I587-L637 HydrophobicContact CG1-CD2 3.88Å; I587-L637 HydrophobicContact CG1-CG 4.39Å; R633-L637 HydrophobicContact CG-CD1 4.49Å; R633-L637 WeakPolarHBondContact O-CG 3.17Å; R633-L637 PolarHBondContact O-N 3.49Å; Q634-L637 PolarHBondContact O-N 3.44Å; R635-L637 VanDerWaalsContact C-N 3.33Å; R635-L637 PolarHBondContact O-N 3.44Å; L637-R641 VanDerWaalsContact O-CB 3.25Å; L637-R641 WeakPolarHBondContact O-CB 3.3Å; L637-R641 VanDerWaalsContact O-CG 3.23Å; L637-R641 WeakPolarHBondContact O-CG 3.24Å; L637-R641 PolarHBondContact O-N 2.82Å |
| 638 | E | 88.5 | Confident | 87.8 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 174.8 | -73.3 | 166.4 | -161.2 | 0 | 0 | 111.4 | Q634 R635 R641 S642 | Q634-E638 WeakPolarHBondContact O-CG 3.24Å; Q634-E638 PolarHBondContact O-N 2.85Å; R635-E638 VanDerWaalsContact CD-OE2 3.22Å; R635-E638 WeakPolarHBondContact CD-OE2 3.4Å; R635-E638 IonicContact CZ-OE2 3.3Å; R635-E638 IonicContact NE-OE2 2.69Å; R635-E638 IonicContact NH1-OE2 3.63Å; R635-E638 PolarHBondContact NH1-OE2 3.22Å; R635-E638 WeakPolarHBondContact O-CB 3.27Å; R635-E638 PolarHBondContact O-N 3.33Å; E638-R641 PolarHBondContact O-N 3Å; E638-S642 VanDerWaalsContact O-CB 3.24Å; E638-S642 WeakPolarHBondContact O-CB 3.5Å; E638-S642 PolarHBondContact O-N 3.17Å; E638-S642 PolarHBondContact O-OG 3.04Å |
| 639 | I | 88 | Confident | 88 | Confident | 17 Ų | 17 | 63 Ų | 63 | 9% | 0.087 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.3 | -43.9 | -179.8 | -64.3 | 164.4 | 0 | 0 | 0 | 111.2 | V623 N626 F628 R635 A636 R641 S642 | V623-I639 HydrophobicContact CB-CG2 4.47Å; V623-I639 HydrophobicContact CG1-CG2 4.26Å; N626-I639 HydrophobicContact CB-CD1 4.16Å; N626-I639 HydrophobicContact CB-CG2 4.47Å; F628-I639 HydrophobicContact CE2-CB 4.23Å; F628-I639 HydrophobicContact CE2-CD1 3.93Å; F628-I639 HydrophobicContact CE2-CG2 3.86Å; F628-I639 HydrophobicContact CZ-CB 3.93Å; F628-I639 HydrophobicContact CZ-CD1 4.25Å; F628-I639 HydrophobicContact CZ-CG2 3.86Å; R635-I639 HydrophobicContact CG-CD1 4.1Å; R635-I639 WeakPolarHBondContact O-CG1 2.93Å; R635-I639 PolarHBondContact O-N 3.43Å; A636-I639 PolarHBondContact O-N 3.33Å; I639-R641 VanDerWaalsContact C-N 3.28Å; I639-R641 PolarHBondContact O-N 3.03Å; I639-S642 PolarHBondContact O-N 3.4Å; I639-S642 PolarHBondContact O-OG 3.48Å |
| 640 | L | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.1 | -33.8 | 178.7 | -70.3 | 168.9 | 0 | 0 | 0 | 111.8 | R576 L583 F585 I587 V623 F628 A636 L646 M648 | R576-L640 PolarHBondContact NH2-O 3.33Å; L583-L640 HydrophobicContact CD1-CB 3.78Å; L583-L640 HydrophobicContact CD1-CD1 4.5Å; F585-L640 HydrophobicContact CE2-CD1 4.38Å; F585-L640 HydrophobicContact CZ-CD2 4.4Å; I587-L640 HydrophobicContact CD1-CD1 3.95Å; I587-L640 HydrophobicContact CG2-CD1 4.1Å; V623-L640 HydrophobicContact CG1-CD2 4.15Å; V623-L640 HydrophobicContact CG2-CD2 4.02Å; F628-L640 HydrophobicContact CE1-CD1 4.17Å; F628-L640 HydrophobicContact CE1-CD2 4.36Å; F628-L640 HydrophobicContact CE1-CG 4.04Å; F628-L640 HydrophobicContact CZ-CD2 4.44Å; F628-L640 HydrophobicContact CZ-CG 4.15Å; A636-L640 WeakPolarHBondContact O-CB 3.34Å; A636-L640 VanDerWaalsContact O-CG 3.22Å; A636-L640 WeakPolarHBondContact O-CG 3.49Å; A636-L640 PolarHBondContact O-N 3.49Å; L640-L646 HydrophobicContact CD2-CD1 3.93Å; L640-M648 HydrophobicContact CD2-SD 3.87Å |
| 641 | R | 90 | Very high | 89.3 | Confident | 143 Ų | 143 | 51.1 Ų | 51.1 | 54% | 0.54 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -84.9 | -21 | 178.3 | -69 | 173.1 | 177.8 | 166.8 | -2.4 | 113.3 | R576 L583 L637 E638 I639 S643 | R576-R641 PolarHBondContact NH2-O 3.25Å; L583-R641 HydrophobicContact CD1-CG 4.38Å; L637-R641 VanDerWaalsContact O-CB 3.25Å; L637-R641 WeakPolarHBondContact O-CB 3.3Å; L637-R641 VanDerWaalsContact O-CG 3.23Å; L637-R641 WeakPolarHBondContact O-CG 3.24Å; L637-R641 PolarHBondContact O-N 2.82Å; E638-R641 PolarHBondContact O-N 3Å; I639-R641 VanDerWaalsContact C-N 3.28Å; I639-R641 PolarHBondContact O-N 3.03Å; R641-S643 VanDerWaalsContact C-N 3.33Å; R641-S643 PolarHBondContact O-N 2.94Å |
| 642 | S | 87.4 | Confident | 89.4 | Confident | 60 Ų | 60 | 50.6 Ų | 50.6 | 42% | 0.42 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.7 | -22.9 | -174.9 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | R579 E638 I639 | R579-S642 PolarHBondContact NE-O 2.93Å; R579-S642 VanDerWaalsContact NE-O 3.08Å; R579-S642 PolarHBondContact NH2-O 2.88Å; E638-S642 VanDerWaalsContact O-CB 3.24Å; E638-S642 WeakPolarHBondContact O-CB 3.5Å; E638-S642 PolarHBondContact O-N 3.17Å; E638-S642 PolarHBondContact O-OG 3.04Å; I639-S642 PolarHBondContact O-N 3.4Å; I639-S642 PolarHBondContact O-OG 3.48Å |
| 643 | S | 89.3 | Confident | 89.4 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | trans | -118.8 | 142.8 | -179.4 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | R576 R641 H645 | R576-S643 PolarHBondContact NH2-O 3.39Å; R641-S643 VanDerWaalsContact C-N 3.33Å; R641-S643 PolarHBondContact O-N 2.94Å; S643-H645 WeakPolarHBondContact CB-O 3.38Å; S643-H645 PolarHBondContact OG-N 2.91Å; S643-H645 PolarHBondContact OG-O 3.28Å | ||
| 644 | T | 88.4 | Confident | 89.1 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 23% | 0.233 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -78 | -28.6 | 170 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | A575 R576 R579 | A575-T644 CarbonylContact C-O 3.55Å; A575-T644 WeakPolarHBondContact CA-O 3.46Å; R576-T644 PolarHBondContact N-O 2.85Å; R579-T644 HydrophobicContact CG-CG2 3.58Å |
| 645 | H | 91 | Very high | 88.9 | Confident | 117 Ų | 117 | 41.4 Ų | 41.4 | 54% | 0.542 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117.6 | 177.8 | -65.4 | 72.9 | 0 | 0 | 0 | 109.6 | N624 S643 | N624-H645 PolarHBondContact ND2-O 3.14Å; S643-H645 WeakPolarHBondContact CB-O 3.38Å; S643-H645 PolarHBondContact OG-N 2.91Å; S643-H645 PolarHBondContact OG-O 3.28Å |
| 646 | L | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 111.8 | -178.8 | -58.4 | -179.6 | 0 | 0 | 0 | 109.3 | T573 Y574 L583 V623 L640 M648 | T573-L646 CarbonylContact C-O 3.59Å; T573-L646 WeakPolarHBondContact CA-O 3.28Å; Y574-L646 HydrophobicContact CD1-CD1 4.09Å; Y574-L646 PolarHBondContact N-O 2.76Å; Y574-L646 PolarHBondContact O-N 3.24Å; L583-L646 HydrophobicContact CD2-CD1 3.92Å; V623-L646 HydrophobicContact CG1-CD2 4.03Å; L640-L646 HydrophobicContact CD2-CD1 3.93Å; L646-M648 HydrophobicContact CB-CE 4.44Å; L646-M648 HydrophobicContact CB-CG 3.98Å; L646-M648 HydrophobicContact CB-SD 4.23Å; L646-M648 HydrophobicContact CD1-SD 4.32Å |
| 647 | S | 94 | Very high | 88.3 | Confident | 51 Ų | 51 | 35 Ų | 35 | 36% | 0.357 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 109.4 | 163.8 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | V571 V623 N624 | V571-S647 WeakPolarHBondContact CG1-OG 3.4Å; V623-S647 WeakPolarHBondContact CA-O 3.49Å; N624-S647 PolarHBondContact N-O 3.12Å; N624-S647 PolarHBondContact OD1-N 3.16Å |
| 648 | M | 93.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.4 | -172.3 | -58 | -174.6 | -73.4 | 0 | 0 | 110.7 | V571 V572 Y574 F585 L614 E622 V623 L640 L646 V650 | V571-M648 CarbonylContact C-O 3.45Å; V571-M648 WeakPolarHBondContact CA-O 3.46Å; V572-M648 HydrophobicContact CG1-CE 4.17Å; V572-M648 PolarHBondContact N-O 2.62Å; V572-M648 PolarHBondContact O-N 3.29Å; Y574-M648 HydrophobicContact CG-CE 4.45Å; F585-M648 HydrophobicContact CE1-CE 4.47Å; F585-M648 HydrophobicContact CZ-CE 4.37Å; F585-M648 HydrophobicContact CZ-SD 4.28Å; L614-M648 HydrophobicContact CD1-CE 3.77Å; L614-M648 HydrophobicContact CD2-CE 4.26Å; L614-M648 HydrophobicContact CG-CE 4.48Å; E622-M648 CarbonylContact O-C 3.49Å; E622-M648 VanDerWaalsContact O-CA 3.31Å; E622-M648 WeakPolarHBondContact O-CA 3.28Å; V623-M648 HydrophobicContact CB-CG 4.46Å; V623-M648 HydrophobicContact CG1-CG 4.1Å; V623-M648 HydrophobicContact CG2-CB 4.48Å; V623-M648 HydrophobicContact CG2-CG 3.95Å; V623-M648 HydrophobicContact CG2-SD 4.44Å; L640-M648 HydrophobicContact CD2-SD 3.87Å; L646-M648 HydrophobicContact CB-CE 4.44Å; L646-M648 HydrophobicContact CB-CG 3.98Å; L646-M648 HydrophobicContact CB-SD 4.23Å; L646-M648 HydrophobicContact CD1-SD 4.32Å; M648-V650 HydrophobicContact CB-CG1 4.11Å |
| 649 | T | 94 | Very high | 87.3 | Confident | 33 Ų | 33 | 34.4 Ų | 34.4 | 20% | 0.202 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 113.8 | 167.5 | -49.8 | 0 | 0 | 0 | 0 | 108.8 | R570 L621 E622 | R570-T649 CarbonylContact O-C 3.5Å; R570-T649 WeakPolarHBondContact O-CA 3.27Å; L621-T649 WeakPolarHBondContact CB-O 3.48Å; L621-T649 PolarHBondContact N-O 2.87Å; E622-T649 PolarHBondContact N-O 3.41Å; E622-T649 PolarHBondContact O-N 2.93Å |
| 650 | V | 93 | Very high | 87 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151.8 | -177.4 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | S569 R570 V572 L614 D618 Q619 I620 M648 | S569-V650 CarbonylContact C-O 3.53Å; S569-V650 VanDerWaalsContact CA-O 3.27Å; S569-V650 WeakPolarHBondContact CA-O 3.5Å; R570-V650 HydrophobicContact CG-CG2 3.64Å; R570-V650 PolarHBondContact N-O 2.95Å; R570-V650 PolarHBondContact O-N 3.21Å; V572-V650 HydrophobicContact CB-CG2 4.46Å; V572-V650 HydrophobicContact CG2-CG2 3.67Å; L614-V650 HydrophobicContact CD2-CG1 4.03Å; L614-V650 HydrophobicContact CD2-CG2 4.43Å; D618-V650 HydrophobicContact CB-CB 4.49Å; Q619-V650 CarbonylContact O-C 3.6Å; Q619-V650 VanDerWaalsContact O-CA 3.29Å; Q619-V650 WeakPolarHBondContact O-CA 3.25Å; I620-V650 HydrophobicContact CG1-CG1 4.26Å; M648-V650 HydrophobicContact CB-CG1 4.11Å |
| 651 | K | 90 | Very high | 86.4 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 24% | 0.243 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 132.9 | 173.2 | 176.6 | 171.6 | 169.4 | 151.2 | 0 | 109.8 | S564 V565 S567 Q619 L621 N653 | S564-K651 WeakPolarHBondContact O-CE 3.47Å; S564-K651 PolarHBondContact O-NZ 2.87Å; V565-K651 PolarHBondContact O-NZ 2.92Å; S567-K651 WeakPolarHBondContact O-CE 3.37Å; S567-K651 PolarHBondContact O-NZ 2.73Å; S567-K651 WeakPolarHBondContact OG-CE 3.29Å; Q619-K651 PolarHBondContact N-O 3.44Å; Q619-K651 PolarHBondContact O-N 3.41Å; L621-K651 HydrophobicContact CD1-CB 4.01Å; K651-N653 PolarHBondContact O-N 2.9Å; K651-N653 VanDerWaalsContact O-N 3.12Å |
| 652 | S | 84.4 | Confident | 85.4 | Confident | 15 Ų | 15 | 31.8 Ų | 31.8 | 11% | 0.105 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 112.6 | 176.4 | -47.7 | 0 | 0 | 0 | 0 | 109.8 | S567 R570 K615 D618 | S567-S652 WeakPolarHBondContact CB-O 3.49Å; S567-S652 PolarHBondContact OG-O 3.25Å; R570-S652 PolarHBondContact NH1-OG 2.97Å; K615-S652 WeakPolarHBondContact CE-OG 3.09Å; K615-S652 PolarHBondContact NZ-OG 3.14Å; D618-S652 WeakPolarHBondContact OD1-CA 3.42Å; D618-S652 PolarHBondContact OD1-OG 2.98Å |
| 653 | N | 86.1 | Confident | 84.2 | Confident | 7 Ų | 7 | 30.7 Ų | 30.7 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | trans | -136.8 | 67 | -178.2 | -176.1 | -0.3 | 0 | 0 | 0 | 110.1 | S564 Y599 G617 Q619 K651 L655 G656 F657 S815 | S564-N653 PolarHBondContact OG-OD1 2.94Å; Y599-N653 HydrophobicContact CE1-CB 4.14Å; G617-N653 CarbonylContact O-C 3.45Å; G617-N653 VanDerWaalsContact O-C 3.22Å; G617-N653 PolarHBondContact O-N 3.45Å; Q619-N653 HydrophobicContact CB-CB 4Å; Q619-N653 PolarHBondContact OE1-ND2 3.34Å; K651-N653 PolarHBondContact O-N 2.9Å; K651-N653 VanDerWaalsContact O-N 3.12Å; N653-L655 VanDerWaalsContact C-N 3.25Å; N653-L655 PolarHBondContact O-N 2.71Å; N653-G656 PolarHBondContact O-N 3.27Å; N653-G656 PolarHBondContact OD1-N 2.68Å; N653-F657 PolarHBondContact O-N 2.75Å; N653-S815 PolarHBondContact ND2-OG 2.86Å | ||
| 654 | L | 79.5 | Confident | 82.7 | Confident | 47 Ų | 47 | 31.6 Ų | 31.6 | 25% | 0.246 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -35 | -179.4 | -176 | 58.9 | 0 | 0 | 0 | 112 | N560 F657 K658 | N560-L654 WeakPolarHBondContact OD1-CD2 3.23Å; L654-F657 HydrophobicContact CD1-CD1 4.09Å; L654-F657 PolarHBondContact O-N 3.01Å; L654-K658 HydrophobicContact CD1-CG 4.2Å; L654-K658 HydrophobicContact CG-CD 4.3Å; L654-K658 HydrophobicContact CG-CG 4.37Å; L654-K658 WeakPolarHBondContact O-CB 3.49Å; L654-K658 WeakPolarHBondContact O-CG 3.4Å; L654-K658 PolarHBondContact O-N 3.1Å |
| 655 | L | 82.5 | Confident | 80.9 | Confident | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.3 | -54 | 176.1 | -179.3 | 68.6 | 0 | 0 | 0 | 111.4 | N560 I561 N653 F657 K658 E659 | N560-L655 HydrophobicContact CB-CB 4.49Å; N560-L655 HydrophobicContact CB-CD1 4.28Å; I561-L655 HydrophobicContact CB-CD2 4.5Å; I561-L655 HydrophobicContact CG1-CD1 4.39Å; I561-L655 HydrophobicContact CG1-CD2 3.67Å; N653-L655 VanDerWaalsContact C-N 3.25Å; N653-L655 PolarHBondContact O-N 2.71Å; L655-F657 VanDerWaalsContact C-N 3.27Å; L655-F657 PolarHBondContact O-N 3.48Å; L655-K658 PolarHBondContact O-N 3.2Å; L655-E659 WeakPolarHBondContact O-CB 3.4Å; L655-E659 WeakPolarHBondContact O-CG 3.11Å; L655-E659 PolarHBondContact O-N 3.29Å |
| 656 | G | 78.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -35.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N653 M660 | N653-G656 PolarHBondContact O-N 3.27Å; N653-G656 PolarHBondContact OD1-N 2.68Å; G656-M660 WeakPolarHBondContact O-CB 3.44Å; G656-M660 PolarHBondContact O-N 2.91Å |
| 657 | F | 82.7 | Confident | 76.4 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 173.3 | 177.2 | -104.5 | 0 | 0 | 0 | 112.4 | L588 Y599 A601 R616 N653 L654 L655 M660 L661 | L588-F657 HydrophobicContact CD1-CE2 4.24Å; Y599-F657 HydrophobicContact CD1-CB 3.88Å; Y599-F657 HydrophobicContact CE1-CB 4.38Å; Y599-F657 HydrophobicContact CG-CB 4.32Å; Y599-F657 HydrophobicContact CG-CD2 4.21Å; A601-F657 HydrophobicContact CB-CE2 4.12Å; A601-F657 HydrophobicContact CB-CZ 4.42Å; R616-F657 HydrophobicContact CG-CE1 3.93Å; R616-F657 HydrophobicContact CG-CZ 4.08Å; R616-F657 VanDerWaalsContact NE-CE1 3.34Å; N653-F657 PolarHBondContact O-N 2.75Å; L654-F657 HydrophobicContact CD1-CD1 4.09Å; L654-F657 PolarHBondContact O-N 3.01Å; L655-F657 VanDerWaalsContact C-N 3.27Å; L655-F657 PolarHBondContact O-N 3.48Å; F657-M660 HydrophobicContact CD2-CE 3.4Å; F657-M660 VanDerWaalsContact CD2-CE 3.4Å; F657-M660 HydrophobicContact CE2-CE 3.62Å; F657-M660 HydrophobicContact CG-CE 4.36Å; F657-M660 WeakPolarHBondContact O-CB 3.47Å; F657-M660 PolarHBondContact O-N 3.2Å; F657-L661 HydrophobicContact CD1-CD1 4.02Å; F657-L661 HydrophobicContact CE1-CD1 3.44Å; F657-L661 VanDerWaalsContact CE1-CD1 3.44Å; F657-L661 HydrophobicContact CE1-CG 4.28Å; F657-L661 HydrophobicContact CE2-CD1 4.43Å; F657-L661 HydrophobicContact CZ-CD1 3.69Å; F657-L661 HydrophobicContact CZ-CD2 4.43Å; F657-L661 HydrophobicContact CZ-CG 4.21Å; F657-L661 WeakPolarHBondContact O-CG 3.41Å; F657-L661 PolarHBondContact O-N 3.31Å |
| 658 | K | 79.1 | Confident | 73.8 | Confident | 69 Ų | 69 | 44.1 Ų | 44.1 | 30% | 0.3 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65 | -40.8 | 177.3 | -77.2 | -172.6 | 169.6 | -167.5 | 0 | 112 | E544 L654 L655 M660 L661 S662 | E544-K658 IonicContact OE1-NZ 2.71Å; E544-K658 PolarHBondContact OE1-NZ 3.49Å; L654-K658 HydrophobicContact CD1-CG 4.2Å; L654-K658 HydrophobicContact CG-CD 4.3Å; L654-K658 HydrophobicContact CG-CG 4.37Å; L654-K658 WeakPolarHBondContact O-CB 3.49Å; L654-K658 WeakPolarHBondContact O-CG 3.4Å; L654-K658 PolarHBondContact O-N 3.1Å; L655-K658 PolarHBondContact O-N 3.2Å; K658-M660 VanDerWaalsContact C-N 3.33Å; K658-M660 PolarHBondContact O-N 3.21Å; K658-L661 PolarHBondContact O-N 3.46Å; K658-S662 PolarHBondContact O-N 3.33Å |
| 659 | E | 77.8 | Confident | 71.1 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 174.4 | -73.8 | 175 | 176.9 | 0 | 0 | 112.9 | L655 S662 C663 Q813 I814 S815 | L655-E659 WeakPolarHBondContact O-CB 3.4Å; L655-E659 WeakPolarHBondContact O-CG 3.11Å; L655-E659 PolarHBondContact O-N 3.29Å; E659-S662 PolarHBondContact O-OG 3.42Å; E659-C663 PolarHBondContact O-N 2.93Å; E659-C663 PolarHBondContact O-SG 3.05Å; E659-Q813 HydrophobicContact CB-CG 4.27Å; E659-Q813 VanDerWaalsContact OE2-CB 3.28Å; E659-Q813 WeakPolarHBondContact OE2-CB 3.17Å; E659-I814 WeakPolarHBondContact OE1-CA 3.27Å; E659-I814 WeakPolarHBondContact OE1-CB 3.47Å; E659-I814 PolarHBondContact OE1-N 3.37Å; E659-I814 VanDerWaalsContact OE1-N 3.11Å; E659-I814 PolarHBondContact OE2-N 3.19Å; E659-S815 PolarHBondContact OE1-N 3.4Å; E659-S815 WeakPolarHBondContact OE2-CB 3.27Å; E659-S815 PolarHBondContact OE2-N 2.82Å |
| 660 | M | 81.4 | Confident | 68 | Low | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 173.2 | 171.9 | -165.8 | 72.5 | 0 | 0 | 111 | L588 G589 C595 Y599 G656 F657 K658 C663 E664 | L588-M660 HydrophobicContact CB-CE 3.48Å; L588-M660 VanDerWaalsContact CB-CE 3.48Å; L588-M660 HydrophobicContact CB-SD 4.04Å; L588-M660 HydrophobicContact CD1-CE 4.23Å; G589-M660 WeakPolarHBondContact CA-SD 3.37Å; G589-M660 PolarHBondContact N-SD 3Å; C595-M660 HydrophobicContact CB-CB 4.39Å; C595-M660 HydrophobicContact CB-CG 3.99Å; Y599-M660 HydrophobicContact CD2-CE 4.24Å; Y599-M660 HydrophobicContact CD2-SD 3.59Å; Y599-M660 VanDerWaalsContact CD2-SD 3.59Å; Y599-M660 HydrophobicContact CE2-SD 4.22Å; Y599-M660 HydrophobicContact CG-CE 4.46Å; Y599-M660 HydrophobicContact CG-SD 4.37Å; G656-M660 WeakPolarHBondContact O-CB 3.44Å; G656-M660 PolarHBondContact O-N 2.91Å; F657-M660 HydrophobicContact CD2-CE 3.4Å; F657-M660 VanDerWaalsContact CD2-CE 3.4Å; F657-M660 HydrophobicContact CE2-CE 3.62Å; F657-M660 HydrophobicContact CG-CE 4.36Å; F657-M660 WeakPolarHBondContact O-CB 3.47Å; F657-M660 PolarHBondContact O-N 3.2Å; K658-M660 VanDerWaalsContact C-N 3.33Å; K658-M660 PolarHBondContact O-N 3.21Å; M660-C663 PolarHBondContact O-N 3.25Å; M660-E664 PolarHBondContact O-N 3.25Å |
| 661 | L | 78.5 | Confident | 64.7 | Low | 40 Ų | 40 | 57.9 Ų | 57.9 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 178.2 | -70.3 | 177.8 | 0 | 0 | 0 | 112.8 | L588 F657 K658 C663 E664 Q665 | L588-L661 HydrophobicContact CD1-CD2 3.95Å; F657-L661 HydrophobicContact CD1-CD1 4.02Å; F657-L661 HydrophobicContact CE1-CD1 3.44Å; F657-L661 VanDerWaalsContact CE1-CD1 3.44Å; F657-L661 HydrophobicContact CE1-CG 4.28Å; F657-L661 HydrophobicContact CE2-CD1 4.43Å; F657-L661 HydrophobicContact CZ-CD1 3.69Å; F657-L661 HydrophobicContact CZ-CD2 4.43Å; F657-L661 HydrophobicContact CZ-CG 4.21Å; F657-L661 WeakPolarHBondContact O-CG 3.41Å; F657-L661 PolarHBondContact O-N 3.31Å; K658-L661 PolarHBondContact O-N 3.46Å; L661-C663 VanDerWaalsContact C-N 3.29Å; L661-C663 PolarHBondContact O-N 2.94Å; L661-E664 PolarHBondContact O-N 3.15Å; L661-E664 VanDerWaalsContact O-N 3.15Å; L661-Q665 PolarHBondContact O-N 3.08Å |
| 662 | S | 70.1 | Confident | 61.5 | Low | 63 Ų | 63 | 60.3 Ų | 60.3 | 44% | 0.441 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 177.2 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | K658 E659 E664 Q665 C666 | K658-S662 PolarHBondContact O-N 3.33Å; E659-S662 PolarHBondContact O-OG 3.42Å; S662-E664 VanDerWaalsContact C-N 3.29Å; S662-E664 PolarHBondContact O-N 3.24Å; S662-Q665 PolarHBondContact O-N 2.91Å; S662-C666 PolarHBondContact O-N 3.12Å; S662-C666 PolarHBondContact O-SG 2.97Å |
| 663 | C | 61.7 | Low | 58.6 | Low | 38 Ų | 38 | 68.9 Ų | 68.9 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.1 | -32 | 173.8 | -64 | 0 | 0 | 0 | 0 | 113 | E659 M660 L661 | E659-C663 PolarHBondContact O-N 2.93Å; E659-C663 PolarHBondContact O-SG 3.05Å; M660-C663 PolarHBondContact O-N 3.25Å; L661-C663 VanDerWaalsContact C-N 3.29Å; L661-C663 PolarHBondContact O-N 2.94Å |
| 664 | E | 57 | Low | 55.6 | Low | 52 Ų | 52 | 74.5 Ų | 74.5 | 24% | 0.243 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -70.8 | -38.6 | 178 | -69.4 | -176.9 | -178.5 | 0 | 0 | 112.4 | R593 M660 L661 S662 C666 N667 | R593-E664 IonicContact CZ-OE1 3.92Å; R593-E664 IonicContact NH1-OE1 2.8Å; R593-E664 PolarHBondContact NH1-OE1 2.96Å; R593-E664 IonicContact NH1-OE2 3.76Å; M660-E664 PolarHBondContact O-N 3.25Å; L661-E664 PolarHBondContact O-N 3.15Å; L661-E664 VanDerWaalsContact O-N 3.15Å; S662-E664 VanDerWaalsContact C-N 3.29Å; S662-E664 PolarHBondContact O-N 3.24Å; E664-C666 VanDerWaalsContact C-N 3.32Å; E664-C666 PolarHBondContact O-N 3.43Å; E664-N667 PolarHBondContact O-N 3.24Å |
| 665 | Q | 51.6 | Low | 53 | Low | 148 Ų | 148 | 78.7 Ų | 78.7 | 69% | 0.692 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.6 | -32.3 | 179.9 | -69.7 | -178 | 10.8 | 0 | 0 | 112.4 | L661 S662 N667 S668 | L661-Q665 PolarHBondContact O-N 3.08Å; S662-Q665 PolarHBondContact O-N 2.91Å; Q665-N667 PolarHBondContact O-N 3.25Å; Q665-S668 PolarHBondContact O-N 2.85Å |
| 666 | C | 44.8 | Very low | 50.2 | Low | 83 Ų | 83 | 87.3 Ų | 87.3 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.3 | -28.4 | 175.2 | -52.9 | 0 | 0 | 0 | 0 | 112.9 | S662 E664 | S662-C666 PolarHBondContact O-N 3.12Å; S662-C666 PolarHBondContact O-SG 2.97Å; E664-C666 VanDerWaalsContact C-N 3.32Å; E664-C666 PolarHBondContact O-N 3.43Å |
| 667 | N | 44.5 | Very low | 47.6 | Very low | 126 Ų | 126 | 92.1 Ų | 92.1 | 67% | 0.674 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -84.5 | -11.8 | -178.5 | -85.8 | 4 | 0 | 0 | 0 | 114.1 | E664 Q665 | E664-N667 PolarHBondContact O-N 3.24Å; Q665-N667 PolarHBondContact O-N 3.25Å |
| 668 | S | 39.1 | Very low | 44.7 | Very low | 112 Ų | 112 | 95.5 Ų | 95.5 | 78% | 0.783 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -10.2 | 175 | -77 | 0 | 0 | 0 | 0 | 113.6 | Q665 N670 | Q665-S668 PolarHBondContact O-N 2.85Å; S668-N670 PolarHBondContact O-N 3.28Å |
| 669 | S | 35.7 | Very low | 42.2 | Very low | 83 Ų | 83 | 97.7 Ų | 97.7 | 58% | 0.58 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -94.9 | 78 | 175.8 | 3.6 | 0 | 0 | 0 | 0 | 111.1 | C671 | S669-C671 VanDerWaalsContact C-N 3.26Å; S669-C671 PolarHBondContact O-N 3.4Å |
| 670 | N | 29.5 | Very low | 39.6 | Very low | 159 Ų | 159 | 103.2 Ų | 103.2 | 85% | 0.85 | 61% | 0.612 | S | S | * | * | trans | 43.7 | 34 | 153.1 | -102.7 | 4.9 | 0 | 0 | 0 | 118.7 | S668 S672 | S668-N670 PolarHBondContact O-N 3.28Å; N670-S672 VanDerWaalsContact C-N 3.27Å; N670-S672 PolarHBondContact O-N 2.89Å | ||
| 671 | C | 24 | Very low | 37 | Very low | 79 Ų | 79 | 109.2 Ų | 109.2 | 53% | 0.534 | 65% | 0.649 | S | S | . | * | trans | -80.3 | 81.5 | 171.7 | -114.3 | 0 | 0 | 0 | 0 | 109.8 | S669 Y673 | S669-C671 VanDerWaalsContact C-N 3.26Å; S669-C671 PolarHBondContact O-N 3.4Å; C671-Y673 HydrophobicContact CB-CD2 3.95Å; C671-Y673 HydrophobicContact CB-CE2 4.08Å; C671-Y673 PolarHBondContact O-N 3.41Å; C671-Y673 WeakPolarHBondContact SG-CE2 3.4Å | ||
| 672 | S | 22.7 | Very low | 34.3 | Very low | 107 Ų | 107 | 117.1 Ų | 117.1 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | trans | -69.8 | 68.2 | 163.8 | 44 | 0 | 0 | 0 | 0 | 109.8 | N670 T674 | N670-S672 VanDerWaalsContact C-N 3.27Å; N670-S672 PolarHBondContact O-N 2.89Å; S672-T674 VanDerWaalsContact C-N 3.28Å; S672-T674 PolarHBondContact O-N 2.95Å | ||
| 673 | Y | 24.5 | Very low | 32.2 | Very low | 196 Ų | 196 | 117.2 Ų | 117.2 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | trans | -82 | 84.7 | 158 | -69.7 | -66.1 | 0 | 0 | 0 | 107.4 | C671 T675 | C671-Y673 HydrophobicContact CB-CD2 3.95Å; C671-Y673 HydrophobicContact CB-CE2 4.08Å; C671-Y673 PolarHBondContact O-N 3.41Å; C671-Y673 WeakPolarHBondContact SG-CE2 3.4Å; Y673-T675 VanDerWaalsContact C-N 3.27Å; Y673-T675 PolarHBondContact O-N 3.12Å | ||
| 674 | T | 22.8 | Very low | 30.3 | Very low | 124 Ų | 124 | 127 Ų | 127 | 76% | 0.761 | 72% | 0.724 | S | S | * | * | trans | -62.8 | 99.3 | 157 | 46.1 | 0 | 0 | 0 | 0 | 107 | S672 Q676 | S672-T674 VanDerWaalsContact C-N 3.28Å; S672-T674 PolarHBondContact O-N 2.95Å; T674-Q676 PolarHBondContact O-N 2.73Å | ||
| 675 | T | 24.6 | Very low | 28.8 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | trans | -54.6 | 107.8 | 169.5 | -8.7 | 0 | 0 | 0 | 0 | 107.5 | Y673 S677 | Y673-T675 VanDerWaalsContact C-N 3.27Å; Y673-T675 PolarHBondContact O-N 3.12Å; T675-S677 PolarHBondContact O-N 2.76Å | ||
| 676 | Q | 22.3 | Very low | 27.7 | Very low | 194 Ų | 194 | 130.9 Ų | 130.9 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | trans | -65 | 87.1 | 171.5 | -72.2 | 179.4 | 18.5 | 0 | 0 | 108.3 | T674 G678 | T674-Q676 PolarHBondContact O-N 2.73Å; Q676-G678 PolarHBondContact O-N 2.98Å | ||
| 677 | S | 25.4 | Very low | 26.6 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -74.4 | 100.3 | 159.7 | -178.2 | 0 | 0 | 0 | 0 | 106.7 | T675 T679 | T675-S677 PolarHBondContact O-N 2.76Å; S677-T679 PolarHBondContact O-N 3.24Å | ||
| 678 | G | 22 | Very low | 25.9 | Very low | 75 Ų | 75 | 133.8 Ų | 133.8 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -61 | 95.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q676 | Q676-G678 PolarHBondContact O-N 2.98Š| ||
| 679 | T | 26.2 | Very low | 25.2 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -120.9 | 111 | 159.4 | 47.4 | 0 | 0 | 0 | 0 | 107.7 | S677 V681 | S677-T679 PolarHBondContact O-N 3.24Å; T679-V681 PolarHBondContact O-N 2.99Å; T679-V681 VanDerWaalsContact O-N 3.08Å | ||
| 680 | V | 22.6 | Very low | 24.8 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -69.5 | 98.4 | -178.7 | 176.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 681 | V | 26.7 | Very low | 24.5 | Very low | 128 Ų | 128 | 138 Ų | 138 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -126.5 | 109.6 | 162.6 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | T679 G683 | T679-V681 PolarHBondContact O-N 2.99Å; T679-V681 VanDerWaalsContact O-N 3.08Å; V681-G683 PolarHBondContact O-N 2.85Å | ||
| 682 | K | 23.4 | Very low | 24.8 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -64.8 | 107.3 | 170.4 | -69.9 | 176.4 | 175.6 | 177.2 | 0 | 108.6 | ||||
| 683 | G | 24.6 | Very low | 24.9 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -158.5 | 115 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | V681 | V681-G683 PolarHBondContact O-N 2.85Š| ||
| 684 | R | 22.6 | Very low | 24.9 | Very low | 242 Ų | 242 | 140.2 Ų | 140.2 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 144.9 | -174.2 | -143.1 | 175.5 | -163.7 | -152.3 | 4.3 | 111.2 | L686 | R684-L686 PolarHBondContact O-N 2.93Š|
| 685 | P | 26.3 | Very low | 25.2 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 119.4 | -173.8 | -1.8 | 20.1 | 0 | 0 | 0 | 110.4 | ||
| 686 | L | 27.7 | Very low | 25.4 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 119.1 | 164.8 | -73.9 | 169.4 | 0 | 0 | 0 | 108.2 | R684 P688 | R684-L686 PolarHBondContact O-N 2.93Å; L686-P688 WeakPolarHBondContact O-CD 3.15Å |
| 687 | L | 22.5 | Very low | 25.4 | Very low | 151 Ų | 151 | 142 Ų | 142 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 140.1 | 158 | -83.9 | 92.6 | 0 | 0 | 0 | 108.7 | ||
| 688 | P | 28.8 | Very low | 25.5 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -130.4 | 113.2 | 131.5 | 13 | 8.4 | 0 | 0 | 0 | 110.8 | L686 | L686-P688 WeakPolarHBondContact O-CD 3.15Š| ||
| 689 | T | 24.8 | Very low | 25.5 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -41.1 | 143.4 | 145.5 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 690 | G | 26.6 | Very low | 25.5 | Very low | 74 Ų | 74 | 151.1 Ų | 151.1 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | 142.8 | 105.5 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 691 | R | 22.7 | Very low | 25.6 | Very low | 241 Ų | 241 | 151.1 Ų | 151.1 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -57.3 | 149.4 | 166.6 | -71.4 | 175.4 | 176 | -166.6 | -2.2 | 113.1 | ||||
| 692 | P | 31.2 | Very low | 25.4 | Very low | 118 Ų | 118 | 150 Ų | 150 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | -123.9 | 116.2 | 129 | 31.3 | -18.4 | 0 | 0 | 0 | 108.9 | |||||
| 693 | K | 23.9 | Very low | 25.5 | Very low | 193 Ų | 193 | 152.5 Ų | 152.5 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | 43.9 | 92.2 | 84 | -72.5 | -172.7 | 179.3 | 178.5 | 0 | 113.8 | |||||
| 694 | S | 25.2 | Very low | 25.5 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | 172.1 | 153.8 | 109.7 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 695 | P | 30.1 | Very low | 25.5 | Very low | 120 Ų | 120 | 153.2 Ų | 153.2 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -108.1 | 142.7 | -158.9 | 34.5 | -20.6 | 0 | 0 | 0 | 113.5 | ||||
| 696 | C | 28.4 | Very low | 25.6 | Very low | 144 Ų | 144 | 152.5 Ų | 152.5 | 97% | 0.973 | 81% | 0.811 | S | S | * | * | trans | -102.9 | 128.7 | 157.8 | -70.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 697 | R | 22.3 | Very low | 25.6 | Very low | 226 Ų | 226 | 150 Ų | 150 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -102.1 | 163.1 | -170 | -156.1 | 176.9 | -176.8 | 172.2 | -2 | 108.2 | ||||
| 698 | D | 27 | Very low | 25.6 | Very low | 138 Ų | 138 | 154.5 Ų | 154.5 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | 107.9 | 98.5 | 165.1 | -54 | -20.8 | 0 | 0 | 0 | 114.8 | ||||
| 699 | Y | 21.6 | Very low | 25.3 | Very low | 224 Ų | 224 | 157 Ų | 157 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | 66.3 | 119.1 | 84.9 | -108.3 | -116 | 0 | 0 | 0 | 110.7 | |||||
| 700 | V | 27.4 | Very low | 25.3 | Very low | 118 Ų | 118 | 159.6 Ų | 159.6 | 72% | 0.715 | 82% | 0.816 | S | S | * | * | cis | -164.3 | 147.8 | 49.8 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 701 | D | 23.8 | Very low | 25 | Very low | 138 Ų | 138 | 165.1 Ų | 165.1 | 74% | 0.738 | 82% | 0.819 | S | S | * | * | trans | -0.3 | 130.3 | 161.3 | -80.1 | -40.1 | 0 | 0 | 0 | 121.2 | ||||
| 702 | S | 22.6 | Very low | 24.9 | Very low | 105 Ų | 105 | 161.8 Ų | 161.8 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | 67.9 | 87.8 | 62.9 | -55.8 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 703 | R | 25.5 | Very low | 24.4 | Very low | 257 Ų | 257 | 160.8 Ų | 160.8 | 97% | 0.97 | 81% | 0.814 | S | S | * | * | trans | -143 | 73.5 | 145 | -82.7 | -168.8 | 178.9 | 174.2 | -0.5 | 109.7 | ||||
| 704 | A | 25.3 | Very low | 24.4 | Very low | 94 Ų | 94 | 159.9 Ų | 159.9 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | trans | -116.9 | 120.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 705 | Y | 22.5 | Very low | 24.1 | Very low | 229 Ų | 229 | 161.9 Ų | 161.9 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 132.1 | 176.2 | -88.7 | -89.8 | 0 | 0 | 0 | 109.9 | ||
| 706 | P | 28.2 | Very low | 23.8 | Very low | 106 Ų | 106 | 159.4 Ų | 159.4 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 139.2 | -171.1 | 31 | -33.3 | 0 | 0 | 0 | 112.3 | ||
| 707 | P | 26.9 | Very low | 23.5 | Very low | 110 Ų | 110 | 158.4 Ų | 158.4 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 131.7 | 174.7 | 28.9 | -31 | 0 | 0 | 0 | 110.9 | Q709 | P707-Q709 PolarHBondContact O-N 2.79Å; P707-Q709 VanDerWaalsContact O-N 3.1Å |
| 708 | R | 22.9 | Very low | 23.6 | Very low | 245 Ų | 245 | 155.6 Ų | 155.6 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -66.6 | 107.3 | 177.2 | -80.8 | -177.6 | 170.3 | 173.4 | -2.5 | 110.5 | ||||
| 709 | Q | 23.4 | Very low | 23.2 | Very low | 171 Ų | 171 | 159.3 Ų | 159.3 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -82.2 | 107.8 | 169.6 | -65.8 | 178.4 | -13.2 | 0 | 0 | 109.4 | P707 | P707-Q709 PolarHBondContact O-N 2.79Å; P707-Q709 VanDerWaalsContact O-N 3.1Å | ||
| 710 | H | 24.4 | Very low | 23.1 | Very low | 183 Ų | 183 | 156.7 Ų | 156.7 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -97.6 | 103.5 | 154.5 | -93.8 | -86.7 | 0 | 0 | 0 | 108.5 | ||||
| 711 | K | 20.5 | Very low | 22.7 | Very low | 190 Ų | 190 | 156.6 Ų | 156.6 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -88.1 | 99.5 | -178.7 | -166.8 | 179.3 | -171.3 | 179.1 | 0 | 107.5 | ||||
| 712 | L | 20.9 | Very low | 22.6 | Very low | 170 Ų | 170 | 158.2 Ų | 158.2 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -107.9 | 99 | 163.7 | -90.9 | 156.6 | 0 | 0 | 0 | 108 | ||||
| 713 | S | 19.9 | Very low | 22.4 | Very low | 97 Ų | 97 | 160.9 Ų | 160.9 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | -72.7 | 117 | 169.1 | 151.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 714 | L | 22.9 | Very low | 22.2 | Very low | 175 Ų | 175 | 154.6 Ų | 154.6 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -125.6 | 103.5 | 158.5 | -153.8 | 74.4 | 0 | 0 | 0 | 109.2 | ||||
| 715 | H | 20.1 | Very low | 22 | Very low | 159 Ų | 159 | 159.4 Ų | 159.4 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -56.6 | 133 | 163.8 | -118.2 | -71.2 | 0 | 0 | 0 | 109.2 | D717 | H715-D717 IonicContact CE1-OD2 3.4Å; H715-D717 IonicContact ND1-OD2 3.56Å; H715-D717 PolarHBondContact ND1-OD2 3.44Å | ||
| 716 | G | 23.9 | Very low | 21.8 | Very low | 69 Ų | 69 | 154.1 Ų | 154.1 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -161.7 | 66.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | I718 | G716-I718 PolarHBondContact O-N 3.36Š| ||
| 717 | D | 21.6 | Very low | 21.4 | Very low | 123 Ų | 123 | 153.9 Ų | 153.9 | 66% | 0.658 | 80% | 0.798 | S | S | * | * | trans | -58.9 | 108.9 | 170.3 | -74.3 | -68.5 | 0 | 0 | 0 | 110.3 | H715 | H715-D717 IonicContact CE1-OD2 3.4Å; H715-D717 IonicContact ND1-OD2 3.56Å; H715-D717 PolarHBondContact ND1-OD2 3.44Å | ||
| 718 | I | 23.5 | Very low | 21.2 | Very low | 167 Ų | 167 | 155.1 Ų | 155.1 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -118.3 | 82.3 | 158.6 | -57.4 | 179.4 | 0 | 0 | 0 | 107.5 | G716 | G716-I718 PolarHBondContact O-N 3.36Š| ||
| 719 | R | 18.9 | Very low | 21 | Very low | 216 Ų | 216 | 147.1 Ų | 147.1 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | -72.6 | 128.1 | 152.4 | -70.4 | 175.6 | 164.4 | 175.6 | -3.7 | 107.2 | ||||
| 720 | Q | 20.4 | Very low | 20.8 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | 161.1 | 122.3 | 121.4 | -95.3 | 178 | -34 | 0 | 0 | 112.1 | |||||
| 721 | T | 18.9 | Very low | 20.6 | Very low | 117 Ų | 117 | 146 Ų | 146 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | trans | 56.7 | 111.7 | 136.8 | 59.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 722 | L | 22.1 | Very low | 20.5 | Very low | 172 Ų | 172 | 144 Ų | 144 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | -162.6 | 101.8 | 117.8 | -100.1 | 158 | 0 | 0 | 0 | 109.1 | |||||
| 723 | L | 17.8 | Very low | 20.5 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -69.1 | 140.3 | 156 | -75.4 | 149.8 | 0 | 0 | 0 | 107.6 | ||||
| 724 | T | 20.5 | Very low | 20.5 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | 166.4 | 146.8 | 125.6 | 48.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 725 | K | 21 | Very low | 20.4 | Very low | 196 Ų | 196 | 136.9 Ų | 136.9 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | 89 | 92 | 161.3 | -54.8 | -168.2 | -178.9 | 175.7 | 0 | 118.3 | ||||
| 726 | S | 18.9 | Very low | 20.6 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -63.3 | 136.8 | 145.2 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 727 | S | 21 | Very low | 20.6 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -170 | 121.3 | 146.2 | 53.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 728 | T | 21.2 | Very low | 20.8 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | 37.7 | 108 | 137.8 | 61 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 729 | G | 20.1 | Very low | 20.9 | Very low | 77 Ų | 77 | 129.6 Ų | 129.6 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | 98.8 | 88.1 | 59.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 730 | E | 18.6 | Very low | 21.4 | Very low | 183 Ų | 183 | 122 Ų | 122 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -165.7 | 106.7 | 159.9 | -115 | 175.4 | -172.6 | 0 | 0 | 109.7 | ||||
| 731 | T | 19.5 | Very low | 21.9 | Very low | 148 Ų | 148 | 115.8 Ų | 115.8 | 91% | 0.908 | 72% | 0.722 | S | S | * | * | trans | -97.2 | 94.9 | -173.2 | -41.1 | 0 | 0 | 0 | 0 | 109 | G733 | T731-G733 PolarHBondContact O-N 2.99Š| ||
| 732 | I | 19.8 | Very low | 22.7 | Very low | 148 Ų | 148 | 116.1 Ų | 116.1 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | trans | -77.4 | 121.2 | 178.6 | -64 | 175.3 | 0 | 0 | 0 | 109.8 | V734 | I732-V734 PolarHBondContact O-N 2.99Š| ||
| 733 | G | 19.5 | Very low | 23.4 | Very low | 74 Ų | 74 | 108.5 Ų | 108.5 | 76% | 0.763 | 67% | 0.67 | S | S | * | * | trans | -64.3 | 124.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T731 | T731-G733 PolarHBondContact O-N 2.99Š| ||
| 734 | V | 20.8 | Very low | 24.3 | Very low | 125 Ų | 125 | 103.8 Ų | 103.8 | 76% | 0.758 | 65% | 0.651 | S | S | * | * | trans | -92.7 | 112.7 | 179.3 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | I732 K736 | I732-V734 PolarHBondContact O-N 2.99Å; V734-K736 PolarHBondContact O-N 3.36Å | ||
| 735 | A | 20.7 | Very low | 25.2 | Very low | 93 Ų | 93 | 103.9 Ų | 103.9 | 77% | 0.769 | 64% | 0.64 | S | S | * | * | trans | -62.1 | 117.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 736 | K | 23.9 | Very low | 26 | Very low | 153 Ų | 153 | 98.3 Ų | 98.3 | 67% | 0.665 | 62% | 0.619 | S | S | * | * | trans | -100.6 | 98.7 | -176.7 | -79.9 | 178.9 | 175.2 | 177.2 | 0 | 110.8 | V734 | V734-K736 PolarHBondContact O-N 3.36Š| ||
| 737 | E | 23.5 | Very low | 27.1 | Very low | 125 Ų | 125 | 93.2 Ų | 93.2 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | trans | -69 | 153.2 | 169.8 | -72.2 | -178.9 | 152.5 | 0 | 0 | 112.5 | ||||
| 738 | G | 25.3 | Very low | 28.1 | Very low | 57 Ų | 57 | 95.1 Ų | 95.1 | 59% | 0.588 | 58% | 0.579 | S | S | * | * | trans | -57.5 | 137 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G740 | G738-G740 VanDerWaalsContact C-N 3.31Å; G738-G740 PolarHBondContact O-N 2.9Å | ||
| 739 | G | 27.4 | Very low | 28.9 | Very low | 29 Ų | 29 | 96 Ų | 96 | 30% | 0.299 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | -4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 740 | G | 27.9 | Very low | 29.7 | Very low | 58 Ų | 58 | 94.3 Ų | 94.3 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -28.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G738 R742 | G738-G740 VanDerWaalsContact C-N 3.31Å; G738-G740 PolarHBondContact O-N 2.9Å; G740-R742 PolarHBondContact O-N 3.41Å |
| 741 | G | 31.9 | Very low | 30.9 | Very low | 37 Ų | 37 | 89.5 Ų | 89.5 | 38% | 0.381 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -78.8 | -18.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K745 | G741-K745 WeakPolarHBondContact O-CB 3.26Å; G741-K745 WeakPolarHBondContact O-CG 3.17Å; G741-K745 PolarHBondContact O-N 3.04Å |
| 742 | R | 35.2 | Very low | 31.8 | Very low | 124 Ų | 124 | 89.3 Ų | 89.3 | 47% | 0.468 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -80 | -38.7 | -173.7 | -74.7 | -173.9 | 176.7 | 172.5 | 0.3 | 113.4 | G740 S744 K745 L746 Y817 | G740-R742 PolarHBondContact O-N 3.41Å; R742-S744 VanDerWaalsContact C-N 3.32Å; R742-K745 PolarHBondContact O-N 3.19Å; R742-L746 WeakPolarHBondContact O-CB 3.35Å; R742-L746 PolarHBondContact O-N 3.12Å; R742-Y817 PolarHBondContact NH1-OH 3.16Å |
| 743 | L | 37.8 | Very low | 32.4 | Very low | 12 Ų | 12 | 85.5 Ų | 85.5 | 6% | 0.063 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 172.4 | -176.6 | 62.4 | 0 | 0 | 0 | 109.9 | N524 L558 I561 K745 L746 I747 | N524-L743 WeakPolarHBondContact OD1-CD2 3.39Å; L558-L743 HydrophobicContact CD2-CD1 3.77Å; I561-L743 HydrophobicContact CG2-CD2 4.46Å; L743-K745 VanDerWaalsContact C-N 3.34Å; L743-K745 PolarHBondContact O-N 3.47Å; L743-L746 PolarHBondContact O-N 2.86Å; L743-I747 HydrophobicContact CD1-CD1 4.18Å; L743-I747 HydrophobicContact CD1-CG1 4.36Å; L743-I747 HydrophobicContact CD2-CD1 4.5Å; L743-I747 HydrophobicContact CG-CD1 3.84Å; L743-I747 HydrophobicContact CG-CG1 4.42Å; L743-I747 WeakPolarHBondContact O-CB 3.36Å; L743-I747 VanDerWaalsContact O-CG1 3.26Å; L743-I747 WeakPolarHBondContact O-CG1 3.46Å; L743-I747 PolarHBondContact O-N 2.99Å |
| 744 | S | 36.6 | Very low | 32.6 | Very low | 61 Ų | 61 | 87.2 Ų | 87.2 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -36.5 | 174 | -57 | 0 | 0 | 0 | 0 | 113.2 | R742 K748 | R742-S744 VanDerWaalsContact C-N 3.32Å; S744-K748 WeakPolarHBondContact O-CB 3.43Å; S744-K748 PolarHBondContact O-N 3.33Å |
| 745 | K | 39.8 | Very low | 32.8 | Very low | 126 Ų | 126 | 85.8 Ų | 85.8 | 55% | 0.548 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 172.8 | -82.3 | 174 | -177.1 | 167.6 | 0 | 112.4 | G741 R742 L743 K748 R749 | G741-K745 WeakPolarHBondContact O-CB 3.26Å; G741-K745 WeakPolarHBondContact O-CG 3.17Å; G741-K745 PolarHBondContact O-N 3.04Å; R742-K745 PolarHBondContact O-N 3.19Å; L743-K745 VanDerWaalsContact C-N 3.34Å; L743-K745 PolarHBondContact O-N 3.47Å; K745-K748 WeakPolarHBondContact O-CB 3.14Å; K745-K748 PolarHBondContact O-N 3.36Å; K745-R749 PolarHBondContact O-N 3.02Å |
| 746 | L | 37.2 | Very low | 32.9 | Very low | 79 Ų | 79 | 86.2 Ų | 86.2 | 41% | 0.414 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 175.8 | -176.2 | 64.8 | 0 | 0 | 0 | 110.7 | L558 R742 L743 R749 L750 | L558-L746 HydrophobicContact CD1-CD2 4.09Å; L558-L746 HydrophobicContact CD2-CD2 3.63Å; R742-L746 WeakPolarHBondContact O-CB 3.35Å; R742-L746 PolarHBondContact O-N 3.12Å; L743-L746 PolarHBondContact O-N 2.86Å; L746-R749 CarbonylContact O-C 3.55Å; L746-R749 PolarHBondContact O-N 2.94Å; L746-R749 VanDerWaalsContact O-N 3.11Å; L746-L750 WeakPolarHBondContact O-CG 3.34Å; L746-L750 PolarHBondContact O-N 3.4Å |
| 747 | I | 41.1 | Very low | 32.8 | Very low | 11 Ų | 11 | 83.5 Ų | 83.5 | 6% | 0.056 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 173.5 | -67.1 | 169.8 | 0 | 0 | 0 | 110.7 | L521 N524 L743 R749 L750 R751 | L521-I747 HydrophobicContact CD1-CG2 3.84Å; N524-I747 HydrophobicContact CB-CD1 4.15Å; L743-I747 HydrophobicContact CD1-CD1 4.18Å; L743-I747 HydrophobicContact CD1-CG1 4.36Å; L743-I747 HydrophobicContact CD2-CD1 4.5Å; L743-I747 HydrophobicContact CG-CD1 3.84Å; L743-I747 HydrophobicContact CG-CG1 4.42Å; L743-I747 WeakPolarHBondContact O-CB 3.36Å; L743-I747 VanDerWaalsContact O-CG1 3.26Å; L743-I747 WeakPolarHBondContact O-CG1 3.46Å; L743-I747 PolarHBondContact O-N 2.99Å; I747-R749 PolarHBondContact O-N 3.41Å; I747-L750 PolarHBondContact O-N 2.99Å; I747-R751 WeakPolarHBondContact O-CG 3.22Å; I747-R751 PolarHBondContact O-N 3.44Å |
| 748 | K | 42.1 | Very low | 32.7 | Very low | 141 Ų | 141 | 84.2 Ų | 84.2 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.9 | -36.4 | 171.9 | -101.5 | -175.1 | 175.2 | -179.3 | 0 | 112.4 | S744 K745 | S744-K748 WeakPolarHBondContact O-CB 3.43Å; S744-K748 PolarHBondContact O-N 3.33Å; K745-K748 WeakPolarHBondContact O-CB 3.14Å; K745-K748 PolarHBondContact O-N 3.36Å |
| 749 | R | 37.6 | Very low | 32.4 | Very low | 156 Ų | 156 | 89.3 Ų | 89.3 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -77.7 | -36.8 | 175.2 | -77.1 | -169.5 | 176.8 | 157.2 | -0.7 | 112.7 | K745 L746 I747 R751 Q752 | K745-R749 PolarHBondContact O-N 3.02Å; L746-R749 CarbonylContact O-C 3.55Å; L746-R749 PolarHBondContact O-N 2.94Å; L746-R749 VanDerWaalsContact O-N 3.11Å; I747-R749 PolarHBondContact O-N 3.41Å; R749-R751 VanDerWaalsContact C-N 3.26Å; R749-R751 PolarHBondContact O-N 3.36Å; R749-Q752 WeakPolarHBondContact O-CB 3.44Å; R749-Q752 PolarHBondContact O-N 3.23Å; R749-Q752 VanDerWaalsContact O-N 3.09Å |
| 750 | L | 38.6 | Very low | 32.1 | Very low | 40 Ų | 40 | 96 Ų | 96 | 21% | 0.209 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -55.1 | -47.9 | 172.4 | -73.1 | 168.3 | 0 | 0 | 0 | 108.5 | R517 L558 L746 I747 Q752 | R517-L750 PolarHBondContact NH1-O 3.31Å; R517-L750 PolarHBondContact NH2-O 2.83Å; L558-L750 HydrophobicContact CD1-CD1 4.28Å; L746-L750 WeakPolarHBondContact O-CG 3.34Å; L746-L750 PolarHBondContact O-N 3.4Å; I747-L750 PolarHBondContact O-N 2.99Å; L750-Q752 CarbonylContact O-C 3.47Å; L750-Q752 PolarHBondContact O-N 3.2Å |
| 751 | R | 43.2 | Very low | 31.6 | Very low | 83 Ų | 83 | 97.3 Ų | 97.3 | 31% | 0.313 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -47 | -30.9 | 176.8 | -70.4 | 177.7 | -151.4 | -154.2 | -1.9 | 115.4 | E482 I747 R749 G753 | E482-R751 VanDerWaalsContact CD-NH1 3.28Å; E482-R751 IonicContact OE1-CZ 2.72Å; E482-R751 IonicContact OE1-NH1 2.7Å; E482-R751 PolarHBondContact OE1-NH1 2.67Å; E482-R751 IonicContact OE1-NH2 3.1Å; E482-R751 PolarHBondContact OE1-NH2 2.56Å; E482-R751 IonicContact OE2-NH1 3.72Å; I747-R751 WeakPolarHBondContact O-CG 3.22Å; I747-R751 PolarHBondContact O-N 3.44Å; R749-R751 VanDerWaalsContact C-N 3.26Å; R749-R751 PolarHBondContact O-N 3.36Å; R751-G753 PolarHBondContact O-N 2.86Å; R751-G753 VanDerWaalsContact O-N 3.16Å |
| 752 | Q | 38.7 | Very low | 31.1 | Very low | 144 Ų | 144 | 107.2 Ų | 107.2 | 67% | 0.673 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -79.7 | 94.6 | 173.1 | -61.2 | 174.9 | -13.2 | 0 | 0 | 107.5 | R749 L750 S754 | R749-Q752 WeakPolarHBondContact O-CB 3.44Å; R749-Q752 PolarHBondContact O-N 3.23Å; R749-Q752 VanDerWaalsContact O-N 3.09Å; L750-Q752 CarbonylContact O-C 3.47Å; L750-Q752 PolarHBondContact O-N 3.2Å; Q752-S754 PolarHBondContact O-N 3.27Å |
| 753 | G | 30.9 | Very low | 30.4 | Very low | 67 Ų | 67 | 108.9 Ų | 108.9 | 69% | 0.691 | 60% | 0.596 | S | S | * | * | trans | -64.6 | 60.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R751 S755 | R751-G753 PolarHBondContact O-N 2.86Å; R751-G753 VanDerWaalsContact O-N 3.16Å; G753-S755 PolarHBondContact O-N 2.92Å | ||
| 754 | S | 24.4 | Very low | 29.6 | Very low | 110 Ų | 110 | 116.3 Ų | 116.3 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | trans | -76.5 | 113.9 | 172.7 | -170.9 | 0 | 0 | 0 | 0 | 108.6 | Q752 A756 | Q752-S754 PolarHBondContact O-N 3.27Å; S754-A756 PolarHBondContact O-N 2.84Å; S754-A756 VanDerWaalsContact O-N 3.12Å | ||
| 755 | S | 25.9 | Very low | 29 | Very low | 95 Ų | 95 | 119.6 Ų | 119.6 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | trans | -44.3 | 112.9 | 172.2 | -45.7 | 0 | 0 | 0 | 0 | 110.6 | G753 S757 | G753-S755 PolarHBondContact O-N 2.92Å; S755-S757 PolarHBondContact O-N 2.76Å | ||
| 756 | A | 23.1 | Very low | 28.1 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 85% | 0.851 | 66% | 0.66 | S | S | * | * | trans | -76.8 | 69.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | S754 | S754-A756 PolarHBondContact O-N 2.84Å; S754-A756 VanDerWaalsContact O-N 3.12Å | ||
| 757 | S | 21.4 | Very low | 27.6 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 68% | 0.68 | S | S | * | * | trans | -120.3 | 60.4 | 172 | 54.4 | 0 | 0 | 0 | 0 | 109.8 | S755 | S755-S757 PolarHBondContact O-N 2.76Š| ||
| 758 | T | 21.4 | Very low | 26.6 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -147.7 | 28.7 | 166 | -27 | 0 | 0 | 0 | 0 | 113.2 | ||
| 759 | L | 18.9 | Very low | 26.1 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 86% | 0.859 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -130.8 | 116 | 167 | -83.9 | 165.1 | 0 | 0 | 0 | 106.6 | ||
| 760 | L | 19.7 | Very low | 25.3 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 89% | 0.89 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 103.5 | 86.7 | 178.3 | -52.1 | 170.3 | 0 | 0 | 0 | 115.7 | ||
| 761 | S | 19.2 | Very low | 24.7 | Very low | 85 Ų | 85 | 136.7 Ų | 136.7 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | 66 | 104.4 | 117.7 | -150.2 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 762 | W | 20.4 | Very low | 23.6 | Very low | 246 Ų | 246 | 138.2 Ų | 138.2 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | 162.3 | 122.2 | 102.4 | -86.6 | -33.2 | 0 | 0 | 0 | 111.4 | |||||
| 763 | D | 20.5 | Very low | 23.3 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -54.6 | 133.7 | 154.2 | -88.2 | -63.5 | 0 | 0 | 0 | 109.8 | ||||
| 764 | E | 21.4 | Very low | 22.9 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -167.9 | 139.5 | 141.7 | -92.1 | -62.8 | 85.2 | 0 | 0 | 108.5 | ||||
| 765 | D | 24 | Very low | 23 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | 76.7 | 87 | 156.6 | -62.4 | -30.1 | 0 | 0 | 0 | 122.4 | ||||
| 766 | R | 19.7 | Very low | 22.7 | Very low | 236 Ų | 236 | 146.7 Ų | 146.7 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | 9.6 | 119.1 | 122.9 | -62.6 | 179 | 176.8 | -147.7 | -0.8 | 117.6 | |||||
| 767 | V | 27.6 | Very low | 22.9 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -150 | 135.3 | 131.4 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 768 | D | 20.3 | Very low | 22.8 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -51.5 | 148.9 | -179.8 | -61.9 | -65.3 | 0 | 0 | 0 | 115.9 | ||||
| 769 | H | 30.2 | Very low | 23 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | -177.1 | 110.5 | 121.8 | -89.5 | -58.1 | 0 | 0 | 0 | 110.7 | |||||
| 770 | S | 22.3 | Very low | 23 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | 18.4 | 127.1 | 132.7 | 57.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 771 | T | 24.5 | Very low | 23.1 | Very low | 133 Ų | 133 | 147 Ų | 147 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | -176.8 | 137.9 | 59.4 | -44.5 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 772 | C | 21.3 | Very low | 23.2 | Very low | 116 Ų | 116 | 148 Ų | 148 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -63.1 | -179.3 | 171.5 | -53.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 773 | P | 32.2 | Very low | 23.4 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | cis | -146.2 | 160.7 | 13.6 | 37.5 | -14.9 | 0 | 0 | 0 | 119.5 | ||||
| 774 | N | 22.4 | Very low | 23.5 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -34.2 | 137.5 | 156.1 | -90.6 | -28.2 | 0 | 0 | 0 | 115.8 | ||||
| 775 | K | 26.4 | Very low | 23.5 | Very low | 204 Ų | 204 | 139 Ų | 139 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -125.4 | 95.1 | 143.8 | -80.1 | -174.6 | 177.6 | 177 | 0 | 109.5 | ||||
| 776 | N | 19.3 | Very low | 23.4 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 124.4 | 159.2 | -75.2 | -52.4 | 0 | 0 | 0 | 108.3 | ||||
| 777 | V | 27.3 | Very low | 23.9 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -128.6 | 103.9 | 156.7 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 778 | A | 19.5 | Very low | 23.6 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -75.4 | 127 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 779 | L | 25.5 | Very low | 23.7 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -125.2 | 113.4 | 161.6 | -81.3 | 170.9 | 0 | 0 | 0 | 108.9 | ||||
| 780 | S | 19.1 | Very low | 23.2 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -77.3 | 130.4 | 175 | 48.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 781 | F | 22.9 | Very low | 23.2 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -137.5 | 134.2 | 154.9 | -85.4 | -78 | 0 | 0 | 0 | 110.6 | ||||
| 782 | P | 21.3 | Very low | 23 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | trans | -100 | 163.1 | -176.6 | 38.3 | -32.9 | 0 | 0 | 0 | 113.6 | ||||
| 783 | H | 23.4 | Very low | 23 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | 71.7 | 113.4 | 156.3 | -86.1 | -72.4 | 0 | 0 | 0 | 120.6 | ||||
| 784 | G | 22.6 | Very low | 22.4 | Very low | 72 Ų | 72 | 145.3 Ų | 145.3 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | 107.8 | 76.8 | 124.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 785 | S | 21.8 | Very low | 22.3 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -173.3 | 130 | 137.5 | 37.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 786 | P | 21.5 | Very low | 22.1 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -98.8 | 174.7 | 168.5 | 39.2 | -31.2 | 0 | 0 | 0 | 110.6 | ||||
| 787 | P | 30.1 | Very low | 22.3 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | -121.2 | 110.1 | -52.9 | 32.1 | -15.5 | 0 | 0 | 0 | 108.7 | L789 | P787-L789 PolarHBondContact O-N 2.95Š| |||
| 788 | M | 22.5 | Very low | 22.2 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -82 | 104.5 | 158.6 | -81.5 | -67.2 | -165.8 | 0 | 0 | 107 | C790 | M788-C790 VanDerWaalsContact C-N 3.29Å; M788-C790 PolarHBondContact O-N 3.12Å | ||
| 789 | L | 22.3 | Very low | 22.7 | Very low | 163 Ų | 163 | 144 Ų | 144 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -48.4 | 95.2 | 167.4 | -86.2 | 156.7 | 0 | 0 | 0 | 108.9 | P787 R791 | P787-L789 PolarHBondContact O-N 2.95Å; L789-R791 PolarHBondContact O-N 3.23Å | ||
| 790 | C | 20 | Very low | 22.7 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -55.2 | 102.1 | 168.4 | -68.6 | 0 | 0 | 0 | 0 | 107.5 | M788 L792 | M788-C790 VanDerWaalsContact C-N 3.29Å; M788-C790 PolarHBondContact O-N 3.12Å; C790-L792 HydrophobicContact CB-CD1 4.23Å; C790-L792 PolarHBondContact O-N 2.95Å | ||
| 791 | R | 20.9 | Very low | 23.1 | Very low | 236 Ų | 236 | 144.5 Ų | 144.5 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | -68.9 | 74.7 | 163 | -71.2 | -171 | -176.5 | -165.2 | 3.2 | 107.4 | L789 K793 | L789-R791 PolarHBondContact O-N 3.23Å; R791-K793 PolarHBondContact O-N 3.14Å | ||
| 792 | L | 21.1 | Very low | 23.4 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | trans | -55.6 | 108.4 | 162.4 | -118 | 70.5 | 0 | 0 | 0 | 106 | C790 H794 | C790-L792 HydrophobicContact CB-CD1 4.23Å; C790-L792 PolarHBondContact O-N 2.95Å; L792-H794 PolarHBondContact O-N 3.36Å; L792-H794 PolarHBondContact O-ND1 3.32Å | ||
| 793 | K | 21.4 | Very low | 23.7 | Very low | 207 Ų | 207 | 138 Ų | 138 | 90% | 0.9 | 75% | 0.752 | S | S | * | * | trans | -59.9 | 82.2 | 173 | -66.9 | 176.9 | 179.2 | 177.6 | 0 | 107.3 | R791 S795 | R791-K793 PolarHBondContact O-N 3.14Å; K793-S795 PolarHBondContact O-N 3.18Å | ||
| 794 | H | 19.6 | Very low | 23.8 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | trans | -68.2 | 106 | 171.3 | -78 | 79 | 0 | 0 | 0 | 107.2 | L792 R796 | L792-H794 PolarHBondContact O-N 3.36Å; L792-H794 PolarHBondContact O-ND1 3.32Å; H794-R796 PolarHBondContact O-N 3.32Å; H794-R796 VanDerWaalsContact O-N 3.13Å | ||
| 795 | S | 20.1 | Very low | 24 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | -41.7 | 112 | 168.2 | -46.5 | 0 | 0 | 0 | 0 | 109.5 | K793 S797 | K793-S795 PolarHBondContact O-N 3.18Å; S795-S797 PolarHBondContact O-N 3.28Å; S795-S797 PolarHBondContact O-OG 2.9Å | ||
| 796 | R | 22.8 | Very low | 24.1 | Very low | 244 Ų | 244 | 143.2 Ų | 143.2 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -74.4 | 34.3 | -175.2 | -70.2 | -179.8 | 166.4 | 171.4 | -4.6 | 113.5 | H794 | H794-R796 PolarHBondContact O-N 3.32Å; H794-R796 VanDerWaalsContact O-N 3.13Å | ||
| 797 | S | 22.8 | Very low | 24.3 | Very low | 65 Ų | 65 | 144.4 Ų | 144.4 | 46% | 0.455 | 74% | 0.742 | S | S | . | * | trans | -88.7 | 96.4 | 172.1 | 38.2 | 0 | 0 | 0 | 0 | 108.3 | S795 | S795-S797 PolarHBondContact O-N 3.28Å; S795-S797 PolarHBondContact O-OG 2.9Å | ||
| 798 | N | 24.4 | Very low | 24 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | 148.3 | 102.1 | 150.4 | -73.4 | -15.9 | 0 | 0 | 0 | 110 | D800 | N798-D800 PolarHBondContact O-N 3.31Š| ||
| 799 | P | 30.5 | Very low | 24.4 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | -76.6 | 102.6 | 151.2 | 30.9 | -21.5 | 0 | 0 | 0 | 106.2 | L801 | P799-L801 PolarHBondContact O-N 3.04Š| ||
| 800 | D | 26.4 | Very low | 25.1 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 56% | 0.561 | 73% | 0.729 | S | S | * | * | trans | -50.7 | 103.6 | 171.2 | -171 | -6.3 | 0 | 0 | 0 | 110 | N798 V802 A803 | N798-D800 PolarHBondContact O-N 3.31Å; D800-V802 PolarHBondContact O-N 3.17Å; D800-V802 PolarHBondContact OD1-N 3.39Å; D800-V802 VanDerWaalsContact OD1-N 3.15Å; D800-A803 HydrophobicContact CB-CB 4.44Å | ||
| 801 | L | 27.5 | Very low | 25.9 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -70.9 | -4.4 | 179.3 | -82.7 | 170.5 | 0 | 0 | 0 | 112.5 | P799 | P799-L801 PolarHBondContact O-N 3.04Š|
| 802 | V | 28.6 | Very low | 26.9 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 65% | 0.648 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -107.2 | -24 | -172.7 | -174.2 | 0 | 0 | 0 | 0 | 113 | D800 T804 | D800-V802 PolarHBondContact O-N 3.17Å; D800-V802 PolarHBondContact OD1-N 3.39Å; D800-V802 VanDerWaalsContact OD1-N 3.15Å; V802-T804 PolarHBondContact O-N 3.1Å |
| 803 | A | 28.2 | Very low | 28.4 | Very low | 62 Ų | 62 | 125.4 Ų | 125.4 | 51% | 0.512 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -67.2 | -27.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D800 | D800-A803 HydrophobicContact CB-CB 4.44Š|
| 804 | T | 25.3 | Very low | 30.1 | Very low | 114 Ų | 114 | 119 Ų | 119 | 70% | 0.699 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -89.8 | -8.1 | -173.6 | -27.4 | 0 | 0 | 0 | 0 | 114.4 | V802 R806 | V802-T804 PolarHBondContact O-N 3.1Å; T804-R806 PolarHBondContact O-N 3.23Å; T804-R806 VanDerWaalsContact O-N 3.09Å |
| 805 | L | 26.6 | Very low | 31.7 | Very low | 154 Ų | 154 | 112 Ų | 112 | 81% | 0.806 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -70.6 | 0.5 | 172.4 | -75.7 | 173.7 | 0 | 0 | 0 | 113.4 | ||
| 806 | R | 24.4 | Very low | 33.3 | Very low | 226 Ų | 226 | 111.1 Ų | 111.1 | 85% | 0.853 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -107.4 | 8 | -179.9 | -76 | -168.2 | -171.2 | -179.4 | 5.1 | 116.4 | T804 P808 | T804-R806 PolarHBondContact O-N 3.23Å; T804-R806 VanDerWaalsContact O-N 3.09Å; R806-P808 WeakPolarHBondContact O-CD 3.29Å |
| 807 | Q | 24 | Very low | 34.7 | Very low | 145 Ų | 145 | 105.1 Ų | 105.1 | 68% | 0.678 | 60% | 0.596 | S | S | * | * | trans | -105.2 | 108.8 | 165.4 | -70.9 | -166.2 | 2.5 | 0 | 0 | 110 | S809 | Q807-S809 PolarHBondContact O-N 3.43Š| ||
| 808 | P | 25.8 | Very low | 35.9 | Very low | 139 Ų | 139 | 105.5 Ų | 105.5 | 90% | 0.903 | 59% | 0.588 | S | S | * | * | trans | -70.8 | 6.8 | -179.6 | -14.9 | 29.4 | 0 | 0 | 0 | 114.6 | R806 S810 | R806-P808 WeakPolarHBondContact O-CD 3.29Å; P808-S810 PolarHBondContact O-N 2.91Å | ||
| 809 | S | 30.5 | Very low | 37 | Very low | 79 Ų | 79 | 102.4 Ų | 102.4 | 55% | 0.552 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -88 | 99 | 179.6 | 40.6 | 0 | 0 | 0 | 0 | 110.5 | Q807 | Q807-S809 PolarHBondContact O-N 3.43Š|
| 810 | S | 35.6 | Very low | 37.7 | Very low | 107 Ų | 107 | 102.8 Ų | 102.8 | 75% | 0.748 | 57% | 0.571 | S | S | * | * | trans | 54.5 | 107.6 | 175.3 | 62.2 | 0 | 0 | 0 | 0 | 115 | P808 G812 | P808-S810 PolarHBondContact O-N 2.91Å; S810-G812 VanDerWaalsContact C-N 3.33Å; S810-G812 PolarHBondContact O-N 3.24Å | ||
| 811 | V | 37.1 | Very low | 38.5 | Very low | 134 Ų | 134 | 102.4 Ų | 102.4 | 81% | 0.812 | 57% | 0.568 | S | S | * | * | trans | -58.1 | 96.3 | 168.7 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | Q813 | V811-Q813 PolarHBondContact O-N 2.87Å; V811-Q813 VanDerWaalsContact O-N 3.1Å | ||
| 812 | G | 43.1 | Very low | 39.2 | Very low | 56 Ų | 56 | 103.2 Ų | 103.2 | 58% | 0.577 | 56% | 0.56 | S | S | * | * | trans | -68.6 | 106.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S810 | S810-G812 VanDerWaalsContact C-N 3.33Å; S810-G812 PolarHBondContact O-N 3.24Å | ||
| 813 | Q | 53 | Low | 39.9 | Very low | 15 Ų | 15 | 102.1 Ų | 102.1 | 7% | 0.07 | 56% | 0.555 | C | S | . | * | trans | -56 | 132.2 | 175.3 | -82.2 | 176.4 | -16.8 | 0 | 0 | 111 | E659 V811 S815 Q816 | E659-Q813 HydrophobicContact CB-CG 4.27Å; E659-Q813 VanDerWaalsContact OE2-CB 3.28Å; E659-Q813 WeakPolarHBondContact OE2-CB 3.17Å; V811-Q813 PolarHBondContact O-N 2.87Å; V811-Q813 VanDerWaalsContact O-N 3.1Å; Q813-S815 PolarHBondContact O-N 3.37Å; Q813-Q816 HydrophobicContact CB-CG 4.1Å; Q813-Q816 WeakPolarHBondContact O-CB 3.09Å; Q813-Q816 PolarHBondContact O-N 3.01Å | ||
| 814 | I | 55.5 | Low | 40.5 | Very low | 71 Ų | 71 | 107.5 Ų | 107.5 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.2 | -33.6 | -178 | -60.3 | 164.5 | 0 | 0 | 0 | 109.8 | E659 Q816 Y817 Y818 | E659-I814 WeakPolarHBondContact OE1-CA 3.27Å; E659-I814 WeakPolarHBondContact OE1-CB 3.47Å; E659-I814 PolarHBondContact OE1-N 3.37Å; E659-I814 VanDerWaalsContact OE1-N 3.11Å; E659-I814 PolarHBondContact OE2-N 3.19Å; I814-Q816 PolarHBondContact O-N 3.05Å; I814-Q816 VanDerWaalsContact O-N 3.15Å; I814-Y817 WeakPolarHBondContact O-CB 3.46Å; I814-Y817 PolarHBondContact O-N 2.82Å; I814-Y818 HydrophobicContact CG2-CD2 4.03Å; I814-Y818 HydrophobicContact CG2-CE2 3.59Å; I814-Y818 WeakPolarHBondContact O-CD2 3.3Å |
| 815 | S | 53.7 | Low | 41.6 | Very low | 6 Ų | 6 | 107.3 Ų | 107.3 | 4% | 0.042 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -52.7 | -34.5 | 172.9 | -170.9 | 0 | 0 | 0 | 0 | 113 | N653 E659 Q813 Y817 Y818 | N653-S815 PolarHBondContact ND2-OG 2.86Å; E659-S815 PolarHBondContact OE1-N 3.4Å; E659-S815 WeakPolarHBondContact OE2-CB 3.27Å; E659-S815 PolarHBondContact OE2-N 2.82Å; Q813-S815 PolarHBondContact O-N 3.37Å; S815-Y817 VanDerWaalsContact C-N 3.31Å; S815-Y817 PolarHBondContact O-N 2.71Å; S815-Y818 PolarHBondContact O-N 2.71Å |
| 816 | Q | 54.1 | Low | 43.1 | Very low | 82 Ų | 82 | 100.7 Ų | 100.7 | 38% | 0.383 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.6 | -27.7 | 177.9 | -63.5 | -178.4 | 8.7 | 0 | 0 | 112.8 | Q813 I814 Y818 Q819 | Q813-Q816 HydrophobicContact CB-CG 4.1Å; Q813-Q816 WeakPolarHBondContact O-CB 3.09Å; Q813-Q816 PolarHBondContact O-N 3.01Å; I814-Q816 PolarHBondContact O-N 3.05Å; I814-Q816 VanDerWaalsContact O-N 3.15Å; Q816-Y818 VanDerWaalsContact C-N 3.33Å; Q816-Q819 PolarHBondContact O-N 3.34Å |
| 817 | Y | 51.6 | Low | 45 | Very low | 118 Ų | 118 | 94.2 Ų | 94.2 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.6 | -30 | -180 | -158.1 | -89.9 | 0 | 0 | 0 | 112.5 | R742 I814 S815 Q819 | R742-Y817 PolarHBondContact NH1-OH 3.16Å; I814-Y817 WeakPolarHBondContact O-CB 3.46Å; I814-Y817 PolarHBondContact O-N 2.82Å; S815-Y817 VanDerWaalsContact C-N 3.31Å; S815-Y817 PolarHBondContact O-N 2.71Å; Y817-Q819 VanDerWaalsContact C-N 3.35Å |
| 818 | Y | 49.4 | Very low | 47.8 | Very low | 73 Ų | 73 | 87.7 Ų | 87.7 | 29% | 0.286 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -3.4 | 177 | -69 | -76 | 0 | 0 | 0 | 113.5 | I561 V565 I814 S815 Q816 | I561-Y818 HydrophobicContact CB-CE2 4.49Å; I561-Y818 HydrophobicContact CD1-CE2 3.94Å; I561-Y818 HydrophobicContact CG1-CE2 3.95Å; I561-Y818 HydrophobicContact CG2-CD1 4.23Å; I561-Y818 HydrophobicContact CG2-CD2 4.16Å; I561-Y818 HydrophobicContact CG2-CE1 3.77Å; I561-Y818 HydrophobicContact CG2-CE2 3.69Å; I561-Y818 HydrophobicContact CG2-CG 4.41Å; I561-Y818 VanDerWaalsContact CG2-CZ 3.48Å; V565-Y818 HydrophobicContact CG2-CD1 3.87Å; V565-Y818 HydrophobicContact CG2-CG 4Å; I814-Y818 HydrophobicContact CG2-CD2 4.03Å; I814-Y818 HydrophobicContact CG2-CE2 3.59Å; I814-Y818 WeakPolarHBondContact O-CD2 3.3Å; S815-Y818 PolarHBondContact O-N 2.71Å; Q816-Y818 VanDerWaalsContact C-N 3.33Å |
| 819 | Q | 47.4 | Very low | 50.7 | Low | 80 Ų | 80 | 81.5 Ų | 81.5 | 37% | 0.374 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -72.6 | 148.6 | 169.6 | -67.7 | -173.2 | 4.9 | 0 | 0 | 110.3 | Q816 Y817 I821 | Q816-Q819 PolarHBondContact O-N 3.34Å; Y817-Q819 VanDerWaalsContact C-N 3.35Å; Q819-I821 PolarHBondContact O-N 3.08Å; Q819-I821 VanDerWaalsContact O-N 3.09Å |
| 820 | P | 44.4 | Very low | 53.7 | Low | 126 Ų | 126 | 77.9 Ų | 77.9 | 82% | 0.818 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 121.2 | 175 | -23.3 | 31.5 | 0 | 0 | 0 | 110.4 | R822 | P820-R822 PolarHBondContact O-N 3.45Š|
| 821 | I | 42.9 | Very low | 56.5 | Low | 96 Ų | 96 | 74.4 Ų | 74.4 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 129.2 | 177.7 | -63.1 | 171.6 | 0 | 0 | 0 | 107.9 | Q819 P823 | Q819-I821 PolarHBondContact O-N 3.08Å; Q819-I821 VanDerWaalsContact O-N 3.09Å; I821-P823 WeakPolarHBondContact O-CD 3.45Å |
| 822 | R | 42.4 | Very low | 59.2 | Low | 178 Ų | 178 | 68 Ų | 68 | 67% | 0.672 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 123.1 | 176.6 | -64.5 | -175.9 | -170.1 | 153 | 16.5 | 109.1 | R630 P820 Q824 | R630-R822 VanDerWaalsContact NH2-NH1 3.12Å; P820-R822 PolarHBondContact O-N 3.45Å; R822-Q824 PolarHBondContact O-N 3.39Å; R822-Q824 VanDerWaalsContact O-N 3.13Å |
| 823 | P | 44 | Very low | 61.7 | Low | 83 Ų | 83 | 66 Ų | 66 | 54% | 0.539 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 120.1 | 170.9 | 22.4 | -28.9 | 0 | 0 | 0 | 108.4 | I821 H825 M1173 | I821-P823 WeakPolarHBondContact O-CD 3.45Å; P823-H825 PolarHBondContact O-N 3.07Å; P823-H825 VanDerWaalsContact O-N 3.1Å; P823-M1173 HydrophobicContact CB-CE 4.46Å; P823-M1173 HydrophobicContact CB-SD 4.37Å |
| 824 | Q | 40.4 | Very low | 63.6 | Low | 175 Ų | 175 | 68.8 Ų | 68.8 | 82% | 0.818 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -67.4 | 107.9 | 169.3 | -70 | -171.5 | -8.5 | 0 | 0 | 107 | R822 | R822-Q824 PolarHBondContact O-N 3.39Å; R822-Q824 VanDerWaalsContact O-N 3.13Å |
| 825 | H | 48.5 | Very low | 65 | Low | 110 Ų | 110 | 67.7 Ų | 67.7 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | trans | 69.9 | 107 | 174.4 | -50.2 | -81.4 | 0 | 0 | 0 | 117.9 | P823 Y845 | P823-H825 PolarHBondContact O-N 3.07Å; P823-H825 VanDerWaalsContact O-N 3.1Å; H825-Y845 HydrophobicContact CB-CE1 4.28Å; H825-Y845 AromaticContact ND1-CE1 3.51Å; H825-Y845 AromaticContact ND1-CZ 3.8Å | ||
| 826 | P | 57.6 | Low | 66.6 | Low | 15 Ų | 15 | 72 Ų | 72 | 10% | 0.097 | 36% | 0.355 | C | S | . | . | trans | -114.4 | 115.4 | 142 | 33.3 | -25 | 0 | 0 | 0 | 110.2 | H828 Y845 H1160 | P826-H828 PolarHBondContact O-N 3.46Å; P826-Y845 WeakPolarHBondContact O-CD1 3.44Å; P826-H1160 HydrophobicContact CB-CB 4.11Å; P826-H1160 WeakPolarHBondContact CB-ND1 3.39Å | ||
| 827 | E | 64.4 | Low | 68.3 | Low | 90 Ų | 90 | 70.1 Ų | 70.1 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | trans | -83.2 | 103.9 | 171.7 | -72.7 | -172.4 | -171.6 | 0 | 0 | 109.2 | V844 Y845 | E827-V844 CarbonylContact C-O 3.55Å; E827-Y845 HydrophobicContact CG-CE1 3.81Å | ||
| 828 | H | 81.6 | Confident | 70.3 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 148 | 164.9 | -60.7 | -85.2 | 0 | 0 | 0 | 109.6 | P826 S843 V844 A899 H1160 | P826-H828 PolarHBondContact O-N 3.46Å; H828-S843 CarbonylContact O-C 3.6Å; H828-S843 WeakPolarHBondContact O-CA 3.39Å; H828-V844 WeakPolarHBondContact CA-O 3.37Å; H828-V844 HydrophobicContact CB-CG2 3.89Å; H828-V844 PolarHBondContact N-O 2.71Å; H828-V844 PolarHBondContact O-N 3.1Å; H828-V844 VanDerWaalsContact O-O 3.1Å; H828-A899 HydrophobicContact CB-CB 3.63Å; H828-H1160 PolarHBondContact CE1-O 3.36Å; H828-H1160 VanDerWaalsContact CE1-O 3.25Å |
| 829 | I | 88.6 | Confident | 72.5 | Confident | 8 Ų | 8 | 67.3 Ų | 67.3 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.4 | 171.8 | -56.3 | -54.5 | 0 | 0 | 0 | 109.9 | Y841 L842 S843 R1185 L1188 Y1189 | I829-Y841 HydrophobicContact CG2-CD1 3.81Å; I829-Y841 HydrophobicContact CG2-CG 4.22Å; I829-L842 CarbonylContact C-O 3.4Å; I829-L842 VanDerWaalsContact CA-O 3.31Å; I829-L842 WeakPolarHBondContact CA-O 3.19Å; I829-S843 WeakPolarHBondContact CD1-OG 3.38Å; I829-R1185 HydrophobicContact CD1-CB 4.13Å; I829-R1185 HydrophobicContact CD1-CG 4.01Å; I829-R1185 HydrophobicContact CG1-CB 4.39Å; I829-R1185 HydrophobicContact CG2-CB 4.25Å; I829-L1188 HydrophobicContact CD1-CD1 4.26Å; I829-L1188 HydrophobicContact CG1-CB 3.58Å; I829-L1188 HydrophobicContact CG1-CD1 4.07Å; I829-L1188 HydrophobicContact CG1-CG 4.5Å; I829-Y1189 HydrophobicContact CG2-CD2 4.42Å |
| 830 | L | 91.6 | Very high | 74.7 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 142.8 | 168.7 | -66.3 | 179 | 0 | 0 | 0 | 110.7 | I832 Y841 L842 V844 V853 L898 A899 Y908 | L830-I832 HydrophobicContact CB-CD1 3.94Å; L830-I832 HydrophobicContact CB-CG1 4.36Å; L830-I832 HydrophobicContact CD1-CD1 4.37Å; L830-Y841 CarbonylContact O-C 3.55Å; L830-Y841 VanDerWaalsContact O-CA 3.3Å; L830-Y841 WeakPolarHBondContact O-CA 3.39Å; L830-L842 PolarHBondContact N-O 3.23Å; L830-L842 PolarHBondContact O-N 3.28Å; L830-V844 HydrophobicContact CD1-CB 4.49Å; L830-V844 HydrophobicContact CD1-CG1 3.98Å; L830-V844 HydrophobicContact CD1-CG2 3.82Å; L830-V844 HydrophobicContact CG-CG1 4.34Å; L830-V844 HydrophobicContact CG-CG2 3.71Å; L830-V853 HydrophobicContact CD1-CG1 4.05Å; L830-V853 HydrophobicContact CD1-CG2 3.98Å; L830-L898 HydrophobicContact CD1-CB 3.97Å; L830-L898 HydrophobicContact CD1-CD1 4.15Å; L830-L898 HydrophobicContact CD2-CB 4.22Å; L830-A899 HydrophobicContact CD2-CB 3.84Å; L830-Y908 HydrophobicContact CD2-CD2 4.25Å; L830-Y908 HydrophobicContact CD2-CE2 4.07Å |
| 831 | K | 94.7 | Very high | 77 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 14% | 0.143 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 109 | 169.1 | -169.8 | -178.4 | -173 | -172 | 0 | 108.1 | Y833 F839 Y841 Y1189 | K831-Y833 HydrophobicContact CB-CE2 4.42Å; K831-Y833 HydrophobicContact CD-CE2 3.7Å; K831-Y833 WeakPolarHBondContact CD-OH 3.48Å; K831-Y833 WeakPolarHBondContact CE-OH 3.38Å; K831-Y833 HydrophobicContact CG-CD2 4.39Å; K831-Y833 HydrophobicContact CG-CE2 3.72Å; K831-Y833 PolarHBondContact NZ-OH 2.84Å; K831-F839 HydrophobicContact CD-CD2 4.12Å; K831-F839 HydrophobicContact CD-CE2 4.41Å; K831-F839 HydrophobicContact CD-CG 4.43Å; K831-F839 HydrophobicContact CG-CB 4.29Å; K831-F839 HydrophobicContact CG-CD2 3.85Å; K831-F839 HydrophobicContact CG-CG 4.2Å; K831-Y841 HydrophobicContact CB-CD1 4.02Å; K831-Y841 HydrophobicContact CB-CE1 3.86Å; K831-Y841 HydrophobicContact CD-CE1 3.86Å; K831-Y841 HydrophobicContact CG-CD1 4.14Å; K831-Y841 HydrophobicContact CG-CE1 3.73Å; K831-Y1189 HydrophobicContact CB-CD2 4Å; K831-Y1189 HydrophobicContact CB-CE1 4.36Å; K831-Y1189 HydrophobicContact CB-CE2 3.49Å; K831-Y1189 VanDerWaalsContact CB-CE2 3.49Å; K831-Y1189 HydrophobicContact CD-CE1 4.02Å |
| 832 | I | 94.9 | Very high | 79.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129 | -178.4 | -54.1 | -52.9 | 0 | 0 | 0 | 109.1 | L830 F839 K840 L842 V853 A857 F861 L875 Y908 L910 | L830-I832 HydrophobicContact CB-CD1 3.94Å; L830-I832 HydrophobicContact CB-CG1 4.36Å; L830-I832 HydrophobicContact CD1-CD1 4.37Å; I832-F839 CarbonylContact O-C 3.52Å; I832-F839 WeakPolarHBondContact O-CA 3.14Å; I832-F839 VanDerWaalsContact O-CB 3.29Å; I832-F839 WeakPolarHBondContact O-CB 3.36Å; I832-K840 PolarHBondContact N-O 3.1Å; I832-K840 PolarHBondContact O-N 3.29Å; I832-L842 HydrophobicContact CB-CD1 4.29Å; I832-L842 HydrophobicContact CG1-CD1 3.48Å; I832-L842 VanDerWaalsContact CG1-CD1 3.48Å; I832-L842 HydrophobicContact CG1-CG 4.02Å; I832-V853 HydrophobicContact CD1-CG1 4.01Å; I832-V853 HydrophobicContact CG1-CG1 4.22Å; I832-A857 HydrophobicContact CG2-CB 4.18Å; I832-F861 HydrophobicContact CG2-CE2 4.3Å; I832-F861 WeakPolarHBondContact O-CZ 3.38Å; I832-L875 HydrophobicContact CD1-CD1 4.22Å; I832-L875 HydrophobicContact CG2-CD1 4.43Å; I832-Y908 HydrophobicContact CD1-CD2 4.29Å; I832-Y908 HydrophobicContact CD1-CG 4.37Å; I832-L910 HydrophobicContact CG2-CB 4.09Å |
| 833 | Y | 95.2 | Very high | 81.4 | Confident | 15 Ų | 15 | 51.9 Ų | 51.9 | 6% | 0.059 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 157.7 | 180 | -69 | -104.1 | 0 | 0 | 0 | 111.4 | K831 S838 F839 R907 Y908 Y909 L910 | K831-Y833 HydrophobicContact CB-CE2 4.42Å; K831-Y833 HydrophobicContact CD-CE2 3.7Å; K831-Y833 WeakPolarHBondContact CD-OH 3.48Å; K831-Y833 WeakPolarHBondContact CE-OH 3.38Å; K831-Y833 HydrophobicContact CG-CD2 4.39Å; K831-Y833 HydrophobicContact CG-CE2 3.72Å; K831-Y833 PolarHBondContact NZ-OH 2.84Å; Y833-S838 CarbonylContact C-O 3.46Å; Y833-S838 WeakPolarHBondContact CA-O 3.45Å; Y833-F839 HydrophobicContact CD1-CB 3.71Å; Y833-F839 HydrophobicContact CD1-CD1 4.2Å; Y833-F839 HydrophobicContact CD1-CG 4.35Å; Y833-F839 HydrophobicContact CD2-CB 4.26Å; Y833-F839 HydrophobicContact CE1-CB 3.96Å; Y833-F839 AromaticContact CE1-CD1 3.76Å; Y833-F839 HydrophobicContact CE1-CD1 3.76Å; Y833-F839 HydrophobicContact CE1-CG 4.13Å; Y833-F839 HydrophobicContact CE2-CB 4.46Å; Y833-F839 HydrophobicContact CG-CB 3.88Å; Y833-R907 HydrophobicContact CD2-CB 4.29Å; Y833-R907 HydrophobicContact CE2-CB 4.3Å; Y833-R907 HydrophobicContact CE2-CG 4.08Å; Y833-Y908 PolarHBondContact N-O 3.14Å; Y833-Y909 HydrophobicContact CD1-CE1 4.44Å; Y833-Y909 HydrophobicContact CG-CE1 4.06Å; Y833-Y909 CarbonylContact O-C 3.52Å; Y833-Y909 VanDerWaalsContact O-CA 3.29Å; Y833-Y909 WeakPolarHBondContact O-CA 3.5Å; Y833-L910 PolarHBondContact O-N 2.73Å |
| 834 | R | 91.9 | Very high | 83.4 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 27% | 0.272 | 24% | 0.243 | S | C | . | . | trans | -106 | 170.4 | 165.1 | -75.1 | 176 | 65.5 | -121.5 | -2.4 | 109.6 | D836 Q837 S838 F861 | R834-D836 VanDerWaalsContact CB-OD1 3.23Å; R834-D836 WeakPolarHBondContact CB-OD1 3.49Å; R834-D836 IonicContact CZ-OD2 3.52Å; R834-D836 IonicContact NH1-OD1 3.5Å; R834-D836 IonicContact NH1-OD2 2.74Å; R834-D836 PolarHBondContact NH1-OD2 3.04Å; R834-D836 IonicContact NH2-OD2 3.78Å; R834-D836 PolarHBondContact O-N 2.72Å; R834-D836 VanDerWaalsContact O-N 3.16Å; R834-Q837 PolarHBondContact O-N 2.92Å; R834-S838 PolarHBondContact N-O 3.02Å; R834-S838 PolarHBondContact NH1-OG 3.27Å; R834-F861 HydrophobicContact CG-CD1 4.16Å; R834-F861 HydrophobicContact CG-CD2 4.22Å; R834-F861 HydrophobicContact CG-CE1 3.88Å; R834-F861 HydrophobicContact CG-CE2 3.99Å; R834-F861 HydrophobicContact CG-CG 4.33Å; R834-F861 HydrophobicContact CG-CZ 3.81Å | ||
| 835 | G | 84.7 | Confident | 85.4 | Confident | 48 Ų | 48 | 43.3 Ų | 43.3 | 50% | 0.495 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q837 | G835-Q837 VanDerWaalsContact C-N 3.29Š|
| 836 | D | 88 | Confident | 86.8 | Confident | 96 Ų | 96 | 41.2 Ų | 41.2 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 12 | 174.3 | 63.9 | -1.1 | 0 | 0 | 0 | 113.5 | R834 S838 | R834-D836 VanDerWaalsContact CB-OD1 3.23Å; R834-D836 WeakPolarHBondContact CB-OD1 3.49Å; R834-D836 IonicContact CZ-OD2 3.52Å; R834-D836 IonicContact NH1-OD1 3.5Å; R834-D836 IonicContact NH1-OD2 2.74Å; R834-D836 PolarHBondContact NH1-OD2 3.04Å; R834-D836 IonicContact NH2-OD2 3.78Å; R834-D836 PolarHBondContact O-N 2.72Å; R834-D836 VanDerWaalsContact O-N 3.16Å; D836-S838 PolarHBondContact O-N 3.37Å; D836-S838 VanDerWaalsContact O-N 3.1Å; D836-S838 VanDerWaalsContact OD1-CB 3.27Å; D836-S838 WeakPolarHBondContact OD1-CB 3.36Å; D836-S838 PolarHBondContact OD1-N 3.24Å; D836-S838 PolarHBondContact OD1-OG 3.28Å; D836-S838 PolarHBondContact OD2-OG 3.05Å |
| 837 | Q | 90.9 | Very high | 87.7 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 63.9 | 2.9 | -174.9 | -54.8 | -58 | -44.4 | 0 | 0 | 116.1 | R834 G835 Y909 L919 Q924 | R834-Q837 PolarHBondContact O-N 2.92Å; G835-Q837 VanDerWaalsContact C-N 3.29Å; Q837-Y909 PolarHBondContact OE1-OH 2.69Å; Q837-L919 PolarHBondContact NE2-O 2.82Å; Q837-Q924 VanDerWaalsContact CD-OE1 3.27Å; Q837-Q924 VanDerWaalsContact CG-NE2 3.26Å |
| 838 | S | 92.9 | Very high | 88.7 | Confident | 43 Ų | 43 | 42.1 Ų | 42.1 | 30% | 0.301 | 21% | 0.212 | S | C | . | . | trans | -64.1 | 138.3 | 167.9 | 68.2 | 0 | 0 | 0 | 0 | 109.4 | Y833 R834 D836 | Y833-S838 CarbonylContact C-O 3.46Å; Y833-S838 WeakPolarHBondContact CA-O 3.45Å; R834-S838 PolarHBondContact N-O 3.02Å; R834-S838 PolarHBondContact NH1-OG 3.27Å; D836-S838 PolarHBondContact O-N 3.37Å; D836-S838 VanDerWaalsContact O-N 3.1Å; D836-S838 VanDerWaalsContact OD1-CB 3.27Å; D836-S838 WeakPolarHBondContact OD1-CB 3.36Å; D836-S838 PolarHBondContact OD1-N 3.24Å; D836-S838 PolarHBondContact OD1-OG 3.28Å; D836-S838 PolarHBondContact OD2-OG 3.05Å | ||
| 839 | F | 94.9 | Very high | 89.1 | Confident | 89 Ų | 89 | 42.8 Ų | 42.8 | 39% | 0.39 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 156 | -178 | 66.7 | -97.8 | 0 | 0 | 0 | 112.5 | K831 I832 Y833 Y841 | K831-F839 HydrophobicContact CD-CD2 4.12Å; K831-F839 HydrophobicContact CD-CE2 4.41Å; K831-F839 HydrophobicContact CD-CG 4.43Å; K831-F839 HydrophobicContact CG-CB 4.29Å; K831-F839 HydrophobicContact CG-CD2 3.85Å; K831-F839 HydrophobicContact CG-CG 4.2Å; I832-F839 CarbonylContact O-C 3.52Å; I832-F839 WeakPolarHBondContact O-CA 3.14Å; I832-F839 VanDerWaalsContact O-CB 3.29Å; I832-F839 WeakPolarHBondContact O-CB 3.36Å; Y833-F839 HydrophobicContact CD1-CB 3.71Å; Y833-F839 HydrophobicContact CD1-CD1 4.2Å; Y833-F839 HydrophobicContact CD1-CG 4.35Å; Y833-F839 HydrophobicContact CD2-CB 4.26Å; Y833-F839 HydrophobicContact CE1-CB 3.96Å; Y833-F839 AromaticContact CE1-CD1 3.76Å; Y833-F839 HydrophobicContact CE1-CD1 3.76Å; Y833-F839 HydrophobicContact CE1-CG 4.13Å; Y833-F839 HydrophobicContact CE2-CB 4.46Å; Y833-F839 HydrophobicContact CG-CB 3.88Å; F839-Y841 HydrophobicContact CD2-CE2 4.31Å; F839-Y841 AromaticContact CE2-CE2 3.73Å; F839-Y841 HydrophobicContact CE2-CE2 3.73Å; F839-Y841 AromaticContact CE2-CZ 3.9Å |
| 840 | K | 93.5 | Very high | 89.1 | Confident | 79 Ų | 79 | 42.5 Ų | 42.5 | 34% | 0.343 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 153.9 | 171.7 | -72 | -169.2 | 177.1 | -157.5 | 0 | 111.2 | I832 E860 F861 | I832-K840 PolarHBondContact N-O 3.1Å; I832-K840 PolarHBondContact O-N 3.29Å; K840-E860 HydrophobicContact CD-CB 4.01Å; K840-E860 WeakPolarHBondContact CD-O 3.41Å; K840-E860 WeakPolarHBondContact CE-O 3.25Å; K840-E860 PolarHBondContact NZ-O 3.42Å; K840-F861 HydrophobicContact CB-CE1 4.19Å; K840-F861 HydrophobicContact CB-CE2 4.39Å; K840-F861 HydrophobicContact CB-CZ 3.96Å; K840-F861 HydrophobicContact CD-CD1 3.85Å; K840-F861 HydrophobicContact CD-CE1 4.01Å; K840-F861 HydrophobicContact CD-CG 4.24Å; K840-F861 HydrophobicContact CD-CZ 4.49Å; K840-F861 HydrophobicContact CG-CD1 4.03Å; K840-F861 HydrophobicContact CG-CE1 3.64Å; K840-F861 HydrophobicContact CG-CZ 3.95Å |
| 841 | Y | 93.2 | Very high | 89 | Confident | 40 Ų | 40 | 46.4 Ų | 46.4 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.4 | 174.6 | -66.2 | -72.9 | 0 | 0 | 0 | 110.2 | I829 L830 K831 F839 R1185 K1186 Y1189 | I829-Y841 HydrophobicContact CG2-CD1 3.81Å; I829-Y841 HydrophobicContact CG2-CG 4.22Å; L830-Y841 CarbonylContact O-C 3.55Å; L830-Y841 VanDerWaalsContact O-CA 3.3Å; L830-Y841 WeakPolarHBondContact O-CA 3.39Å; K831-Y841 HydrophobicContact CB-CD1 4.02Å; K831-Y841 HydrophobicContact CB-CE1 3.86Å; K831-Y841 HydrophobicContact CD-CE1 3.86Å; K831-Y841 HydrophobicContact CG-CD1 4.14Å; K831-Y841 HydrophobicContact CG-CE1 3.73Å; F839-Y841 HydrophobicContact CD2-CE2 4.31Å; F839-Y841 AromaticContact CE2-CE2 3.73Å; F839-Y841 HydrophobicContact CE2-CE2 3.73Å; F839-Y841 AromaticContact CE2-CZ 3.9Å; Y841-R1185 VanDerWaalsContact O-CD 3.28Å; Y841-R1185 WeakPolarHBondContact O-CD 3.49Å; Y841-R1185 PolarHBondContact O-NH1 3.49Å; Y841-K1186 HydrophobicContact CD2-CB 4.35Å; Y841-K1186 HydrophobicContact CE2-CB 3.95Å; Y841-K1186 HydrophobicContact CE2-CG 4.08Å; Y841-Y1189 HydrophobicContact CD1-CD2 4.24Å; Y841-Y1189 AromaticContact CD1-CG 3.95Å; Y841-Y1189 HydrophobicContact CD1-CG 3.95Å; Y841-Y1189 AromaticContact CE1-CD1 3.6Å; Y841-Y1189 HydrophobicContact CE1-CD1 3.6Å; Y841-Y1189 HydrophobicContact CE1-CD2 4.04Å; Y841-Y1189 HydrophobicContact CE1-CE1 4.26Å; Y841-Y1189 AromaticContact CE1-CG 3.46Å; Y841-Y1189 HydrophobicContact CE1-CG 3.46Å; Y841-Y1189 VanDerWaalsContact CE1-CG 3.46Å |
| 842 | L | 90.7 | Very high | 88.7 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.7 | -178.8 | -54.7 | -175.4 | 0 | 0 | 0 | 110.2 | I829 L830 I832 V844 V853 L856 A857 E860 | I829-L842 CarbonylContact C-O 3.4Å; I829-L842 VanDerWaalsContact CA-O 3.31Å; I829-L842 WeakPolarHBondContact CA-O 3.19Å; L830-L842 PolarHBondContact N-O 3.23Å; L830-L842 PolarHBondContact O-N 3.28Å; I832-L842 HydrophobicContact CB-CD1 4.29Å; I832-L842 HydrophobicContact CG1-CD1 3.48Å; I832-L842 VanDerWaalsContact CG1-CD1 3.48Å; I832-L842 HydrophobicContact CG1-CG 4.02Å; L842-V844 HydrophobicContact CB-CG1 4.28Å; L842-V853 HydrophobicContact CD1-CG1 4.12Å; L842-L856 HydrophobicContact CD1-CB 4.31Å; L842-A857 HydrophobicContact CD1-CB 3.8Å; L842-E860 HydrophobicContact CD2-CB 3.78Å; L842-E860 HydrophobicContact CD2-CG 3.58Å |
| 843 | S | 86.6 | Confident | 88.6 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 126.8 | 166.8 | -61.7 | 0 | 0 | 0 | 0 | 109.2 | H828 I829 R1185 | H828-S843 CarbonylContact O-C 3.6Å; H828-S843 WeakPolarHBondContact O-CA 3.39Å; I829-S843 WeakPolarHBondContact CD1-OG 3.38Å; S843-R1185 PolarHBondContact OG-NE 2.8Å |
| 844 | V | 86.5 | Confident | 88.3 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 156.9 | -179.9 | -55.5 | 0 | 0 | 0 | 0 | 110.1 | E827 H828 L830 L842 T848 V853 L856 | E827-V844 CarbonylContact C-O 3.55Å; H828-V844 WeakPolarHBondContact CA-O 3.37Å; H828-V844 HydrophobicContact CB-CG2 3.89Å; H828-V844 PolarHBondContact N-O 2.71Å; H828-V844 PolarHBondContact O-N 3.1Å; H828-V844 VanDerWaalsContact O-O 3.1Å; L830-V844 HydrophobicContact CD1-CB 4.49Å; L830-V844 HydrophobicContact CD1-CG1 3.98Å; L830-V844 HydrophobicContact CD1-CG2 3.82Å; L830-V844 HydrophobicContact CG-CG1 4.34Å; L830-V844 HydrophobicContact CG-CG2 3.71Å; L842-V844 HydrophobicContact CB-CG1 4.28Å; V844-T848 HydrophobicContact CB-CG2 4.1Å; V844-T848 HydrophobicContact CG1-CG2 4.21Å; V844-V853 HydrophobicContact CG1-CG2 3.98Å; V844-L856 HydrophobicContact CG1-CD1 4.41Å |
| 845 | Y | 82.6 | Confident | 88.2 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 28% | 0.282 | 26% | 0.26 | S | S | . | . | trans | -98.5 | 163.4 | 171.4 | -58.7 | -78.1 | 0 | 0 | 0 | 110.7 | H825 P826 E827 E847 T848 | H825-Y845 HydrophobicContact CB-CE1 4.28Å; H825-Y845 AromaticContact ND1-CE1 3.51Å; H825-Y845 AromaticContact ND1-CZ 3.8Å; P826-Y845 WeakPolarHBondContact O-CD1 3.44Å; E827-Y845 HydrophobicContact CG-CE1 3.81Å; Y845-E847 VanDerWaalsContact CB-CD 3.46Å; Y845-E847 WeakPolarHBondContact CB-OE2 3.46Å; Y845-E847 PolarHBondContact O-N 3.22Å; Y845-E847 VanDerWaalsContact O-N 3.16Å; Y845-T848 PolarHBondContact N-OG1 3.07Å; Y845-T848 VanDerWaalsContact O-CB 3.25Å; Y845-T848 WeakPolarHBondContact O-CB 3.44Å; Y845-T848 PolarHBondContact O-N 3.44Å; Y845-T848 PolarHBondContact O-OG1 3.15Å | ||
| 846 | K | 78.4 | Confident | 88.4 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.5 | 177.1 | -176.9 | 168.9 | -177.8 | 172.8 | 0 | 112 | Q896 N897 T1163 | K846-Q896 WeakPolarHBondContact O-CB 3.43Å; K846-N897 WeakPolarHBondContact CE-ND2 3.3Å; K846-N897 HydrophobicContact CG-CB 3.91Å; K846-N897 VanDerWaalsContact O-CA 3.28Å; K846-N897 WeakPolarHBondContact O-CA 3.44Å; K846-N897 PolarHBondContact O-N 3.45Å; K846-T1163 PolarHBondContact NZ-OG1 2.87Å |
| 847 | E | 75.9 | Confident | 88.5 | Confident | 109 Ų | 109 | 46.7 Ų | 46.7 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -4.9 | 178.3 | 63 | -89.6 | -153.9 | 0 | 0 | 114.4 | Y845 T849 Q896 | Y845-E847 VanDerWaalsContact CB-CD 3.46Å; Y845-E847 WeakPolarHBondContact CB-OE2 3.46Å; Y845-E847 PolarHBondContact O-N 3.22Å; Y845-E847 VanDerWaalsContact O-N 3.16Å; E847-T849 PolarHBondContact O-N 2.88Å; E847-T849 VanDerWaalsContact O-N 3.17Å; E847-Q896 WeakPolarHBondContact O-CG 3.34Å |
| 848 | T | 86.5 | Confident | 88.4 | Confident | 16 Ų | 16 | 44.9 Ų | 44.9 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | trans | -66.4 | 119.2 | 179 | -57.2 | 0 | 0 | 0 | 0 | 108.9 | V844 Y845 N852 V853 L856 | V844-T848 HydrophobicContact CB-CG2 4.1Å; V844-T848 HydrophobicContact CG1-CG2 4.21Å; Y845-T848 PolarHBondContact N-OG1 3.07Å; Y845-T848 VanDerWaalsContact O-CB 3.25Å; Y845-T848 WeakPolarHBondContact O-CB 3.44Å; Y845-T848 PolarHBondContact O-N 3.44Å; Y845-T848 PolarHBondContact O-OG1 3.15Å; T848-N852 HydrophobicContact CG2-CB 3.74Å; T848-V853 HydrophobicContact CG2-CG2 3.72Å; T848-L856 HydrophobicContact CG2-CD1 4.38Å | ||
| 849 | T | 89 | Confident | 88.2 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 14% | 0.135 | 23% | 0.233 | C | C | . | . | trans | -75.2 | 156.7 | -179.2 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | E847 Q851 N852 V853 E893 M895 Q896 | E847-T849 PolarHBondContact O-N 2.88Å; E847-T849 VanDerWaalsContact O-N 3.17Å; T849-Q851 PolarHBondContact O-N 3.2Å; T849-N852 WeakPolarHBondContact O-CB 3.2Å; T849-N852 PolarHBondContact O-N 2.96Å; T849-N852 PolarHBondContact OG1-N 2.96Å; T849-N852 PolarHBondContact OG1-ND2 3.44Å; T849-N852 PolarHBondContact OG1-OD1 3.45Å; T849-V853 WeakPolarHBondContact O-CG2 3.39Å; T849-V853 PolarHBondContact O-N 2.96Å; T849-E893 WeakPolarHBondContact CB-O 3.2Å; T849-M895 CarbonylContact C-O 3.47Å; T849-M895 VanDerWaalsContact CA-O 3.27Å; T849-M895 WeakPolarHBondContact CA-O 3.32Å; T849-Q896 HydrophobicContact CG2-CG 3.88Å | ||
| 850 | S | 89.8 | Confident | 87.8 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -49.8 | -43.6 | 172.8 | 179.8 | 0 | 0 | 0 | 0 | 112 | N852 V853 V854 P892 E893 M895 | S850-N852 PolarHBondContact O-N 3.38Å; S850-V853 WeakPolarHBondContact O-CB 3.48Å; S850-V853 PolarHBondContact O-N 2.79Å; S850-V854 WeakPolarHBondContact O-CG2 3.45Å; S850-V854 PolarHBondContact O-N 3.05Å; S850-P892 WeakPolarHBondContact CB-O 3.3Å; S850-P892 PolarHBondContact OG-O 3.33Å; S850-E893 PolarHBondContact N-O 3.13Å; S850-M895 PolarHBondContact N-O 3.22Å |
| 851 | Q | 88.2 | Confident | 87.6 | Confident | 86 Ų | 86 | 45.8 Ų | 45.8 | 40% | 0.402 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 176.3 | -171.7 | 178.4 | 28.1 | 0 | 0 | 112.8 | T849 V853 V854 Q855 E893 | T849-Q851 PolarHBondContact O-N 3.2Å; Q851-V853 VanDerWaalsContact C-N 3.28Å; Q851-V853 PolarHBondContact O-N 3.4Å; Q851-V854 WeakPolarHBondContact O-CB 3.23Å; Q851-V854 PolarHBondContact O-N 3.41Å; Q851-Q855 PolarHBondContact O-N 2.98Å; Q851-Q855 VanDerWaalsContact O-N 3.1Å; Q851-E893 HydrophobicContact CB-CB 4.2Å; Q851-E893 PolarHBondContact N-O 2.85Å |
| 852 | N | 89.5 | Confident | 87.2 | Confident | 70 Ų | 70 | 47 Ų | 47 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.6 | -36.6 | 177.1 | -67.6 | -3.8 | 0 | 0 | 0 | 111 | T848 T849 S850 V854 Q855 L856 | T848-N852 HydrophobicContact CG2-CB 3.74Å; T849-N852 WeakPolarHBondContact O-CB 3.2Å; T849-N852 PolarHBondContact O-N 2.96Å; T849-N852 PolarHBondContact OG1-N 2.96Å; T849-N852 PolarHBondContact OG1-ND2 3.44Å; T849-N852 PolarHBondContact OG1-OD1 3.45Å; S850-N852 PolarHBondContact O-N 3.38Å; N852-V854 VanDerWaalsContact C-N 3.35Å; N852-Q855 PolarHBondContact O-N 3.15Å; N852-L856 WeakPolarHBondContact O-CB 3.29Å; N852-L856 VanDerWaalsContact O-CG 3.31Å; N852-L856 WeakPolarHBondContact O-CG 3.49Å; N852-L856 PolarHBondContact O-N 3.4Å |
| 853 | V | 91.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 174.6 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | L830 I832 L842 V844 T848 T849 S850 Q851 L856 A857 L875 L898 | L830-V853 HydrophobicContact CD1-CG1 4.05Å; L830-V853 HydrophobicContact CD1-CG2 3.98Å; I832-V853 HydrophobicContact CD1-CG1 4.01Å; I832-V853 HydrophobicContact CG1-CG1 4.22Å; L842-V853 HydrophobicContact CD1-CG1 4.12Å; V844-V853 HydrophobicContact CG1-CG2 3.98Å; T848-V853 HydrophobicContact CG2-CG2 3.72Å; T849-V853 WeakPolarHBondContact O-CG2 3.39Å; T849-V853 PolarHBondContact O-N 2.96Å; S850-V853 WeakPolarHBondContact O-CB 3.48Å; S850-V853 PolarHBondContact O-N 2.79Å; Q851-V853 VanDerWaalsContact C-N 3.28Å; Q851-V853 PolarHBondContact O-N 3.4Å; V853-L856 PolarHBondContact O-N 2.95Å; V853-A857 VanDerWaalsContact O-CB 3.23Å; V853-A857 WeakPolarHBondContact O-CB 3.32Å; V853-A857 PolarHBondContact O-N 2.96Å; V853-L875 HydrophobicContact CB-CD2 4.17Å; V853-L875 HydrophobicContact CG1-CD2 3.92Å; V853-L898 HydrophobicContact CB-CD1 4.38Å; V853-L898 HydrophobicContact CG2-CD1 3.87Å |
| 854 | V | 90.6 | Very high | 85.3 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 173.5 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | S850 Q851 N852 A857 L858 W873 L875 L910 | S850-V854 WeakPolarHBondContact O-CG2 3.45Å; S850-V854 PolarHBondContact O-N 3.05Å; Q851-V854 WeakPolarHBondContact O-CB 3.23Å; Q851-V854 PolarHBondContact O-N 3.41Å; N852-V854 VanDerWaalsContact C-N 3.35Å; V854-A857 PolarHBondContact O-N 3.11Å; V854-L858 HydrophobicContact CG1-CD1 3.89Å; V854-L858 HydrophobicContact CG1-CG 4.38Å; V854-L858 VanDerWaalsContact O-CG 3.32Å; V854-L858 WeakPolarHBondContact O-CG 3.49Å; V854-L858 PolarHBondContact O-N 2.61Å; V854-W873 HydrophobicContact CG1-CB 3.88Å; V854-L875 HydrophobicContact CG2-CB 3.75Å; V854-L910 HydrophobicContact CG1-CD1 3.96Å; V854-L910 HydrophobicContact CG2-CD1 4.49Å |
| 855 | Q | 89.1 | Confident | 84 | Confident | 131 Ų | 131 | 56.6 Ų | 56.6 | 61% | 0.612 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 179.1 | -175.8 | 175.7 | -11 | 0 | 0 | 112.1 | Q851 N852 A857 L858 Q859 | Q851-Q855 PolarHBondContact O-N 2.98Å; Q851-Q855 VanDerWaalsContact O-N 3.1Å; N852-Q855 PolarHBondContact O-N 3.15Å; Q855-A857 VanDerWaalsContact C-N 3.35Å; Q855-A857 PolarHBondContact O-N 3.3Å; Q855-L858 PolarHBondContact O-N 2.92Å; Q855-Q859 WeakPolarHBondContact O-CB 3.33Å; Q855-Q859 PolarHBondContact O-N 3.2Å |
| 856 | L | 88.3 | Confident | 82.6 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 31% | 0.314 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.5 | -71 | 171.3 | 0 | 0 | 0 | 111.8 | L842 V844 T848 N852 V853 Q859 E860 | L842-L856 HydrophobicContact CD1-CB 4.31Å; V844-L856 HydrophobicContact CG1-CD1 4.41Å; T848-L856 HydrophobicContact CG2-CD1 4.38Å; N852-L856 WeakPolarHBondContact O-CB 3.29Å; N852-L856 VanDerWaalsContact O-CG 3.31Å; N852-L856 WeakPolarHBondContact O-CG 3.49Å; N852-L856 PolarHBondContact O-N 3.4Å; V853-L856 PolarHBondContact O-N 2.95Å; L856-Q859 PolarHBondContact O-N 2.65Å; L856-E860 WeakPolarHBondContact O-CB 3.33Å; L856-E860 WeakPolarHBondContact O-CG 3.42Å; L856-E860 PolarHBondContact O-N 2.86Å |
| 857 | A | 90.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I832 L842 V853 V854 Q855 Q859 E860 F861 L910 | I832-A857 HydrophobicContact CG2-CB 4.18Å; L842-A857 HydrophobicContact CD1-CB 3.8Å; V853-A857 VanDerWaalsContact O-CB 3.23Å; V853-A857 WeakPolarHBondContact O-CB 3.32Å; V853-A857 PolarHBondContact O-N 2.96Å; V854-A857 PolarHBondContact O-N 3.11Å; Q855-A857 VanDerWaalsContact C-N 3.35Å; Q855-A857 PolarHBondContact O-N 3.3Å; A857-Q859 VanDerWaalsContact C-N 3.31Å; A857-Q859 PolarHBondContact O-N 2.94Å; A857-E860 PolarHBondContact O-N 3.16Å; A857-F861 HydrophobicContact CB-CD2 4.33Å; A857-F861 HydrophobicContact CB-CE2 4.45Å; A857-F861 WeakPolarHBondContact O-CB 3.5Å; A857-F861 WeakPolarHBondContact O-CD2 3.39Å; A857-F861 PolarHBondContact O-N 3.36Å; A857-L910 HydrophobicContact CB-CD1 4.5Å; A857-L910 HydrophobicContact CB-CD2 4.04Å |
| 858 | L | 89.3 | Confident | 80.5 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 178.1 | -73.6 | 168.2 | 0 | 0 | 0 | 111.9 | V854 Q855 G862 M863 W873 L910 | V854-L858 HydrophobicContact CG1-CD1 3.89Å; V854-L858 HydrophobicContact CG1-CG 4.38Å; V854-L858 VanDerWaalsContact O-CG 3.32Å; V854-L858 WeakPolarHBondContact O-CG 3.49Å; V854-L858 PolarHBondContact O-N 2.61Å; Q855-L858 PolarHBondContact O-N 2.92Å; L858-G862 PolarHBondContact O-N 3.42Å; L858-G862 VanDerWaalsContact O-N 3.15Å; L858-M863 HydrophobicContact CD2-CB 3.86Å; L858-M863 PolarHBondContact O-N 3.47Å; L858-W873 HydrophobicContact CD1-CB 4.21Å; L858-W873 HydrophobicContact CD1-CG 4.27Å; L858-W873 HydrophobicContact CD2-CB 4.4Å; L858-W873 HydrophobicContact CD2-CD2 3.85Å; L858-W873 HydrophobicContact CD2-CE3 4.46Å; L858-W873 HydrophobicContact CD2-CG 3.8Å; L858-L910 HydrophobicContact CD2-CD2 3.98Å; L858-L910 HydrophobicContact CG-CD2 4.31Å |
| 859 | Q | 87.5 | Confident | 79 | Confident | 127 Ų | 127 | 58.8 Ų | 58.8 | 59% | 0.593 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.2 | -49.3 | 174.6 | -177.9 | -179.1 | 1.6 | 0 | 0 | 111.3 | Q855 L856 A857 G862 | Q855-Q859 WeakPolarHBondContact O-CB 3.33Å; Q855-Q859 PolarHBondContact O-N 3.2Å; L856-Q859 PolarHBondContact O-N 2.65Å; A857-Q859 VanDerWaalsContact C-N 3.31Å; A857-Q859 PolarHBondContact O-N 2.94Å; Q859-G862 PolarHBondContact O-N 3.26Å; Q859-G862 VanDerWaalsContact O-N 3.17Å |
| 860 | E | 86.6 | Confident | 77.6 | Confident | 71 Ų | 71 | 61 Ų | 61 | 33% | 0.332 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | -177.9 | -77.1 | -87 | -166.1 | 0 | 0 | 111.6 | K840 L842 L856 A857 G862 R1185 | K840-E860 HydrophobicContact CD-CB 4.01Å; K840-E860 WeakPolarHBondContact CD-O 3.41Å; K840-E860 WeakPolarHBondContact CE-O 3.25Å; K840-E860 PolarHBondContact NZ-O 3.42Å; L842-E860 HydrophobicContact CD2-CB 3.78Å; L842-E860 HydrophobicContact CD2-CG 3.58Å; L856-E860 WeakPolarHBondContact O-CB 3.33Å; L856-E860 WeakPolarHBondContact O-CG 3.42Å; L856-E860 PolarHBondContact O-N 2.86Å; A857-E860 PolarHBondContact O-N 3.16Å; E860-G862 PolarHBondContact O-N 2.96Å; E860-R1185 IonicContact OE1-CZ 3.57Å; E860-R1185 IonicContact OE1-NH1 2.85Å; E860-R1185 PolarHBondContact OE1-NH1 2.99Å; E860-R1185 IonicContact OE1-NH2 3.51Å |
| 861 | F | 89.6 | Confident | 76.6 | Confident | 32 Ų | 32 | 67.4 Ų | 67.4 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -73.7 | -7.8 | 174.8 | -74.8 | -69.9 | 0 | 0 | 0 | 114.2 | I832 R834 K840 A857 M863 L910 | I832-F861 HydrophobicContact CG2-CE2 4.3Å; I832-F861 WeakPolarHBondContact O-CZ 3.38Å; R834-F861 HydrophobicContact CG-CD1 4.16Å; R834-F861 HydrophobicContact CG-CD2 4.22Å; R834-F861 HydrophobicContact CG-CE1 3.88Å; R834-F861 HydrophobicContact CG-CE2 3.99Å; R834-F861 HydrophobicContact CG-CG 4.33Å; R834-F861 HydrophobicContact CG-CZ 3.81Å; K840-F861 HydrophobicContact CB-CE1 4.19Å; K840-F861 HydrophobicContact CB-CE2 4.39Å; K840-F861 HydrophobicContact CB-CZ 3.96Å; K840-F861 HydrophobicContact CD-CD1 3.85Å; K840-F861 HydrophobicContact CD-CE1 4.01Å; K840-F861 HydrophobicContact CD-CG 4.24Å; K840-F861 HydrophobicContact CD-CZ 4.49Å; K840-F861 HydrophobicContact CG-CD1 4.03Å; K840-F861 HydrophobicContact CG-CE1 3.64Å; K840-F861 HydrophobicContact CG-CZ 3.95Å; A857-F861 HydrophobicContact CB-CD2 4.33Å; A857-F861 HydrophobicContact CB-CE2 4.45Å; A857-F861 WeakPolarHBondContact O-CB 3.5Å; A857-F861 WeakPolarHBondContact O-CD2 3.39Å; A857-F861 PolarHBondContact O-N 3.36Å; F861-M863 HydrophobicContact CB-CG 3.97Å; F861-M863 HydrophobicContact CB-SD 4.23Å; F861-L910 HydrophobicContact CD2-CD2 4.01Å; F861-L910 HydrophobicContact CE2-CD2 4.45Å |
| 862 | G | 83.8 | Confident | 76.3 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 27.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | L858 Q859 E860 | L858-G862 PolarHBondContact O-N 3.42Å; L858-G862 VanDerWaalsContact O-N 3.15Å; Q859-G862 PolarHBondContact O-N 3.26Å; Q859-G862 VanDerWaalsContact O-N 3.17Å; E860-G862 PolarHBondContact O-N 2.96Å |
| 863 | M | 75 | Confident | 76.2 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 28% | 0.281 | 38% | 0.383 | S | S | . | . | trans | -100.3 | 24.7 | -175.8 | -58.3 | -171.2 | 68.1 | 0 | 0 | 113 | L858 F861 D865 W873 | L858-M863 HydrophobicContact CD2-CB 3.86Å; L858-M863 PolarHBondContact O-N 3.47Å; F861-M863 HydrophobicContact CB-CG 3.97Å; F861-M863 HydrophobicContact CB-SD 4.23Å; M863-D865 PolarHBondContact O-N 3.35Å; M863-W873 HydrophobicContact CE-CH2 3.31Å; M863-W873 HydrophobicContact CE-CZ2 3.2Å; M863-W873 HydrophobicContact CE-CZ3 4.38Å; M863-W873 HydrophobicContact SD-CH2 4.07Å; M863-W873 HydrophobicContact SD-CZ2 4.29Å | ||
| 864 | S | 62.4 | Low | 76.2 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | trans | -77.5 | 92.2 | -169.5 | -52.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 865 | D | 58.8 | Low | 76.3 | Confident | 108 Ų | 108 | 65 Ų | 65 | 58% | 0.578 | 38% | 0.382 | S | S | * | . | trans | -96.3 | 110.7 | 160.9 | -154.2 | -12.6 | 0 | 0 | 0 | 109 | M863 A867 S869 | M863-D865 PolarHBondContact O-N 3.35Å; D865-A867 PolarHBondContact O-N 2.93Å; D865-S869 WeakPolarHBondContact O-CB 3.46Å; D865-S869 PolarHBondContact O-OG 2.63Å | ||
| 866 | P | 55.1 | Low | 76.5 | Confident | 127 Ų | 127 | 59 Ų | 59 | 83% | 0.825 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.7 | -168.5 | 20.8 | -31.3 | 0 | 0 | 0 | 115.2 | ||
| 867 | A | 54.4 | Low | 76.9 | Confident | 90 Ų | 90 | 56.7 Ų | 56.7 | 74% | 0.744 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -24 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | D865 | D865-A867 PolarHBondContact O-N 2.93Š|
| 868 | S | 54 | Low | 77 | Confident | 66 Ų | 66 | 56.7 Ų | 56.7 | 46% | 0.462 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.6 | 5.5 | -170.8 | -69.9 | 0 | 0 | 0 | 0 | 115.8 | Q872 | S868-Q872 WeakPolarHBondContact O-CG 3.35Š|
| 869 | S | 56.7 | Low | 77.3 | Confident | 27 Ų | 27 | 58 Ų | 58 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -76.7 | -31.8 | -163.4 | 50.7 | 0 | 0 | 0 | 0 | 115.7 | D865 W873 | D865-S869 WeakPolarHBondContact O-CB 3.46Å; D865-S869 PolarHBondContact O-OG 2.63Å; S869-W873 PolarHBondContact O-N 3.35Å |
| 870 | S | 59.8 | Low | 77.6 | Confident | 68 Ų | 68 | 52 Ų | 52 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.4 | -32.2 | -175.4 | 73 | 0 | 0 | 0 | 0 | 114 | W873 | S870-W873 VanDerWaalsContact O-O 3.12Å |
| 871 | L | 68.8 | Low | 77.8 | Confident | 137 Ų | 137 | 49.6 Ų | 49.6 | 72% | 0.717 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -82.3 | -23.3 | -178.4 | -68.8 | 171.9 | 0 | 0 | 0 | 112.7 | N913 | L871-N913 PolarHBondContact O-ND2 2.85Å |
| 872 | Q | 81.3 | Confident | 77.6 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 36% | 0.355 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -82.6 | -21.4 | 178.7 | -69.5 | 179.5 | -1.1 | 0 | 0 | 113 | S868 N913 | S868-Q872 WeakPolarHBondContact O-CG 3.35Å; Q872-N913 WeakPolarHBondContact O-CB 3.39Å; Q872-N913 VanDerWaalsContact O-CG 3.28Å; Q872-N913 PolarHBondContact O-N 3.02Å; Q872-N913 PolarHBondContact O-ND2 3.39Å |
| 873 | W | 87.8 | Confident | 77.7 | Confident | 34 Ų | 34 | 56.3 Ų | 56.3 | 13% | 0.129 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.2 | -173.6 | -68.6 | 85.7 | 0 | 0 | 0 | 111.4 | V854 L858 M863 S869 S870 L910 K911 N912 | V854-W873 HydrophobicContact CG1-CB 3.88Å; L858-W873 HydrophobicContact CD1-CB 4.21Å; L858-W873 HydrophobicContact CD1-CG 4.27Å; L858-W873 HydrophobicContact CD2-CB 4.4Å; L858-W873 HydrophobicContact CD2-CD2 3.85Å; L858-W873 HydrophobicContact CD2-CE3 4.46Å; L858-W873 HydrophobicContact CD2-CG 3.8Å; M863-W873 HydrophobicContact CE-CH2 3.31Å; M863-W873 HydrophobicContact CE-CZ2 3.2Å; M863-W873 HydrophobicContact CE-CZ3 4.38Å; M863-W873 HydrophobicContact SD-CH2 4.07Å; M863-W873 HydrophobicContact SD-CZ2 4.29Å; S869-W873 PolarHBondContact O-N 3.35Å; S870-W873 VanDerWaalsContact O-O 3.12Å; W873-L910 HydrophobicContact CB-CD1 4.17Å; W873-L910 HydrophobicContact CD2-CD1 4.49Å; W873-L910 HydrophobicContact CD2-CG 4.47Å; W873-L910 HydrophobicContact CE3-CD1 3.88Å; W873-L910 HydrophobicContact CE3-CD2 4.14Å; W873-L910 HydrophobicContact CE3-CG 3.55Å; W873-L910 HydrophobicContact CZ3-CD2 4.31Å; W873-L910 HydrophobicContact CZ3-CG 3.9Å; W873-K911 WeakPolarHBondContact CA-O 3.11Å; W873-K911 VanDerWaalsContact CE3-C 3.46Å; W873-N912 HydrophobicContact CD2-CB 4.24Å; W873-N912 HydrophobicContact CE3-CB 4.03Å; W873-N912 HydrophobicContact CH2-CB 3.78Å; W873-N912 HydrophobicContact CZ2-CB 3.95Å; W873-N912 HydrophobicContact CZ3-CB 3.83Å |
| 874 | S | 89.6 | Confident | 78.2 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.028 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 150.8 | 179 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | R890 K911 N913 | S874-R890 PolarHBondContact OG-NE 3.12Å; S874-R890 VanDerWaalsContact OG-NE 3.09Å; S874-R890 PolarHBondContact OG-NH1 3.07Å; S874-R890 PolarHBondContact OG-NH2 3.34Å; S874-K911 PolarHBondContact N-O 3.01Å; S874-K911 PolarHBondContact O-N 3.4Å; S874-N913 WeakPolarHBondContact CB-OD1 3.36Å; S874-N913 VanDerWaalsContact OG-CG 3.31Å; S874-N913 PolarHBondContact OG-ND2 3.37Å; S874-N913 VanDerWaalsContact OG-ND2 3.15Å; S874-N913 PolarHBondContact OG-OD1 3.4Å |
| 875 | L | 94.4 | Very high | 79.4 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 121.4 | 168.6 | -165.8 | 61.9 | 0 | 0 | 0 | 109.1 | I832 V853 V854 L891 L898 | I832-L875 HydrophobicContact CD1-CD1 4.22Å; I832-L875 HydrophobicContact CG2-CD1 4.43Å; V853-L875 HydrophobicContact CB-CD2 4.17Å; V853-L875 HydrophobicContact CG1-CD2 3.92Å; V854-L875 HydrophobicContact CG2-CB 3.75Å; L875-L891 HydrophobicContact CD2-CD1 3.9Å; L875-L891 HydrophobicContact CG-CD1 4.02Å; L875-L891 PolarHBondContact O-N 3.27Å; L875-L898 HydrophobicContact CD2-CD1 3.7Å |
| 876 | C | 93 | Very high | 80.9 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.034 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.2 | 176.1 | -67.2 | 0 | 0 | 0 | 0 | 110.2 | Q888 R889 Y908 Y909 K911 L919 | C876-Q888 HydrophobicContact CB-CG 4.22Å; C876-R889 CarbonylContact C-O 3.49Å; C876-R889 VanDerWaalsContact CA-O 3.26Å; C876-R889 WeakPolarHBondContact CA-O 3.47Å; C876-Y908 WeakPolarHBondContact O-CA 3.2Å; C876-Y909 PolarHBondContact N-O 3.13Å; C876-Y909 PolarHBondContact O-N 3.13Å; C876-K911 HydrophobicContact CB-CB 4.46Å; C876-L919 HydrophobicContact CB-CD1 4.17Å |
| 877 | E | 95.4 | Very high | 82.7 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 5% | 0.051 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.7 | 165.2 | -176.3 | 177.4 | -157.1 | 0 | 0 | 108.2 | Q888 R889 L891 Y908 | E877-Q888 WeakPolarHBondContact O-CA 3.38Å; E877-R889 PolarHBondContact N-O 3.08Å; E877-R889 PolarHBondContact O-N 3.27Å; E877-R889 IonicContact OE2-CZ 2.68Å; E877-R889 IonicContact OE2-NE 3.04Å; E877-R889 IonicContact OE2-NH2 3.95Å; E877-R889 PolarHBondContact OE2-NH2 3.03Å; E877-L891 HydrophobicContact CB-CD2 3.9Å; E877-L891 HydrophobicContact CB-CG 4.32Å; E877-Y908 HydrophobicContact CB-CD1 4.02Å; E877-Y908 HydrophobicContact CB-CE1 3.9Å; E877-Y908 HydrophobicContact CG-CD1 4.27Å; E877-Y908 HydrophobicContact CG-CE1 3.95Å |
| 878 | V | 94.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.3 | 171 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | I886 K887 Q888 S906 R907 Y909 L919 V920 | V878-I886 HydrophobicContact CG1-CG2 3.49Å; V878-I886 VanDerWaalsContact CG1-CG2 3.49Å; V878-K887 WeakPolarHBondContact CA-O 3.44Å; V878-Q888 HydrophobicContact CG2-CB 4.32Å; V878-Q888 HydrophobicContact CG2-CG 4.04Å; V878-S906 CarbonylContact O-C 3.58Å; V878-S906 VanDerWaalsContact O-CA 3.23Å; V878-S906 WeakPolarHBondContact O-CA 3.44Å; V878-R907 PolarHBondContact N-O 3.08Å; V878-R907 PolarHBondContact O-N 2.99Å; V878-Y909 HydrophobicContact CB-CD2 3.92Å; V878-Y909 HydrophobicContact CB-CE2 3.87Å; V878-Y909 HydrophobicContact CG2-CD2 3.5Å; V878-Y909 HydrophobicContact CG2-CE2 3.85Å; V878-Y909 HydrophobicContact CG2-CG 4.38Å; V878-L919 HydrophobicContact CG2-CB 4.14Å; V878-L919 HydrophobicContact CG2-CD1 3.93Å; V878-V920 HydrophobicContact CB-CG2 4.17Å; V878-V920 HydrophobicContact CG1-CB 4.12Å; V878-V920 HydrophobicContact CG1-CG2 3.61Å; V878-V920 HydrophobicContact CG2-CG2 4.46Å |
| 879 | T | 94.5 | Very high | 86.2 | Confident | 33 Ų | 33 | 58 Ų | 58 | 20% | 0.202 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.2 | -179.2 | -56 | 0 | 0 | 0 | 0 | 109.1 | K887 S906 | T879-K887 PolarHBondContact N-O 3.36Å; T879-K887 PolarHBondContact O-N 2.97Å; T879-S906 VanDerWaalsContact CB-OG 3.31Å; T879-S906 WeakPolarHBondContact CB-OG 3.39Å; T879-S906 VanDerWaalsContact CG2-OG 3.25Å; T879-S906 WeakPolarHBondContact CG2-OG 3.47Å; T879-S906 PolarHBondContact OG1-OG 3.28Å |
| 880 | V | 93.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 121.8 | 176.2 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | I886 N905 A925 L928 L929 | V880-I886 HydrophobicContact CG2-CG1 4.49Å; V880-N905 PolarHBondContact N-O 2.99Å; V880-N905 PolarHBondContact O-ND2 3.28Å; V880-A925 HydrophobicContact CG1-CB 3.95Å; V880-A925 HydrophobicContact CG2-CB 3.9Å; V880-L928 HydrophobicContact CG2-CD2 3.83Å; V880-L928 HydrophobicContact CG2-CG 4.46Å; V880-L929 HydrophobicContact CB-CD2 4.22Å; V880-L929 HydrophobicContact CB-CG 4.21Å; V880-L929 HydrophobicContact CG1-CD1 3.69Å; V880-L929 HydrophobicContact CG1-CD2 3.91Å; V880-L929 HydrophobicContact CG1-CG 3.59Å |
| 881 | T | 90.8 | Very high | 89.4 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 13% | 0.129 | 31% | 0.306 | C | S | . | . | trans | -75 | 162.2 | 176.7 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | D883 G884 L885 K887 | T881-D883 PolarHBondContact O-N 2.81Å; T881-G884 WeakPolarHBondContact O-CA 3.48Å; T881-G884 PolarHBondContact O-N 3.49Å; T881-L885 PolarHBondContact N-O 3.39Å; T881-L885 VanDerWaalsContact OG1-CB 3.31Å; T881-L885 WeakPolarHBondContact OG1-CB 3.41Å; T881-L885 PolarHBondContact OG1-N 3.07Å; T881-L885 PolarHBondContact OG1-O 3.07Å; T881-K887 HydrophobicContact CG2-CD 3.72Å; T881-K887 HydrophobicContact CG2-CG 4.18Å | ||
| 882 | A | 85.2 | Confident | 90.3 | Very high | 94 Ų | 94 | 56.2 Ų | 56.2 | 78% | 0.777 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -32.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G884 | A882-G884 PolarHBondContact O-N 3.26Š|
| 883 | D | 87.1 | Confident | 90.5 | Very high | 145 Ų | 145 | 56.2 Ų | 56.2 | 78% | 0.775 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 2.6 | 175.3 | -45.9 | -48.3 | 0 | 0 | 0 | 113.9 | T881 | T881-D883 PolarHBondContact O-N 2.81Š|
| 884 | G | 84.7 | Confident | 90.3 | Very high | 33 Ų | 33 | 61.4 Ų | 61.4 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 86.3 | 0.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | T881 A882 I886 | T881-G884 WeakPolarHBondContact O-CA 3.48Å; T881-G884 PolarHBondContact O-N 3.49Å; A882-G884 PolarHBondContact O-N 3.26Å; G884-I886 PolarHBondContact O-N 2.88Å |
| 885 | L | 88.6 | Confident | 90.1 | Very high | 109 Ų | 109 | 63.2 Ų | 63.2 | 57% | 0.571 | 33% | 0.326 | S | S | * | . | trans | -72.4 | 131 | -179.1 | -57.8 | 168.2 | 0 | 0 | 0 | 111.4 | T881 | T881-L885 PolarHBondContact N-O 3.39Å; T881-L885 VanDerWaalsContact OG1-CB 3.31Å; T881-L885 WeakPolarHBondContact OG1-CB 3.41Å; T881-L885 PolarHBondContact OG1-N 3.07Å; T881-L885 PolarHBondContact OG1-O 3.07Å | ||
| 886 | I | 90.5 | Very high | 89.7 | Confident | 62 Ų | 62 | 67.3 Ų | 67.3 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 110.9 | 178.5 | -55.8 | 172.9 | 0 | 0 | 0 | 109.2 | V878 V880 G884 V920 A925 | V878-I886 HydrophobicContact CG1-CG2 3.49Å; V878-I886 VanDerWaalsContact CG1-CG2 3.49Å; V880-I886 HydrophobicContact CG2-CG1 4.49Å; G884-I886 PolarHBondContact O-N 2.88Å; I886-V920 HydrophobicContact CD1-CB 4.33Å; I886-V920 HydrophobicContact CD1-CG1 4.07Å; I886-V920 HydrophobicContact CG2-CB 4.4Å; I886-A925 HydrophobicContact CD1-CB 3.96Å; I886-A925 HydrophobicContact CG1-CB 3.98Å |
| 887 | K | 91.7 | Very high | 89.3 | Confident | 130 Ų | 130 | 68.1 Ų | 68.1 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.9 | 173.8 | -67.1 | -178.9 | 178.4 | 175.2 | 0 | 109.5 | V878 T879 T881 | V878-K887 WeakPolarHBondContact CA-O 3.44Å; T879-K887 PolarHBondContact N-O 3.36Å; T879-K887 PolarHBondContact O-N 2.97Å; T881-K887 HydrophobicContact CG2-CD 3.72Å; T881-K887 HydrophobicContact CG2-CG 4.18Å |
| 888 | Q | 90.9 | Very high | 89 | Confident | 84 Ų | 84 | 67.9 Ų | 67.9 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.3 | 175 | -178.2 | -173.7 | -79.8 | 0 | 0 | 110 | C876 E877 V878 L919 | C876-Q888 HydrophobicContact CB-CG 4.22Å; E877-Q888 WeakPolarHBondContact O-CA 3.38Å; V878-Q888 HydrophobicContact CG2-CB 4.32Å; V878-Q888 HydrophobicContact CG2-CG 4.04Å; Q888-L919 HydrophobicContact CG-CD1 4.41Å |
| 889 | R | 91.6 | Very high | 88.6 | Confident | 142 Ų | 142 | 68.2 Ų | 68.2 | 54% | 0.536 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.1 | 178.6 | 178.4 | 173.6 | 62.1 | -173.4 | -1.7 | 110.5 | C876 E877 | C876-R889 CarbonylContact C-O 3.49Å; C876-R889 VanDerWaalsContact CA-O 3.26Å; C876-R889 WeakPolarHBondContact CA-O 3.47Å; E877-R889 PolarHBondContact N-O 3.08Å; E877-R889 PolarHBondContact O-N 3.27Å; E877-R889 IonicContact OE2-CZ 2.68Å; E877-R889 IonicContact OE2-NE 3.04Å; E877-R889 IonicContact OE2-NH2 3.95Å; E877-R889 PolarHBondContact OE2-NH2 3.03Å |
| 890 | R | 91.8 | Very high | 88.1 | Confident | 127 Ų | 127 | 69.1 Ų | 69.1 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 127.9 | 166.4 | 178.5 | 173.7 | 172.5 | 172.8 | -0.1 | 108.7 | S874 E893 | S874-R890 PolarHBondContact OG-NE 3.12Å; S874-R890 VanDerWaalsContact OG-NE 3.09Å; S874-R890 PolarHBondContact OG-NH1 3.07Å; S874-R890 PolarHBondContact OG-NH2 3.34Å; R890-E893 IonicContact NH2-OE1 3.56Å |
| 891 | L | 91.5 | Very high | 87.7 | Confident | 4 Ų | 4 | 75.7 Ų | 75.7 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 141.6 | 178.4 | -61 | -179.6 | 0 | 0 | 0 | 110.5 | L875 E877 M895 L898 Y908 | L875-L891 HydrophobicContact CD2-CD1 3.9Å; L875-L891 HydrophobicContact CG-CD1 4.02Å; L875-L891 PolarHBondContact O-N 3.27Å; E877-L891 HydrophobicContact CB-CD2 3.9Å; E877-L891 HydrophobicContact CB-CG 4.32Å; L891-M895 HydrophobicContact CB-SD 4.29Å; L891-M895 HydrophobicContact CD1-SD 4.42Å; L891-M895 HydrophobicContact CD2-SD 3.86Å; L891-M895 HydrophobicContact CG-SD 4.41Å; L891-L898 HydrophobicContact CD1-CD2 4.24Å; L891-Y908 HydrophobicContact CD1-CD1 3.94Å; L891-Y908 HydrophobicContact CD1-CE1 3.58Å |
| 892 | P | 88.8 | Confident | 87.8 | Confident | 64 Ų | 64 | 75.5 Ų | 75.5 | 42% | 0.416 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 146.4 | 171.1 | -22.5 | 33 | 0 | 0 | 0 | 111.7 | S850 E894 M895 | S850-P892 WeakPolarHBondContact CB-O 3.3Å; S850-P892 PolarHBondContact OG-O 3.33Å; P892-E894 VanDerWaalsContact C-N 3.31Å; P892-E894 PolarHBondContact O-N 3.26Å; P892-M895 HydrophobicContact CB-CB 4.38Å; P892-M895 VanDerWaalsContact O-CB 3.3Å; P892-M895 WeakPolarHBondContact O-CB 3.41Å; P892-M895 PolarHBondContact O-N 3.29Å |
| 893 | E | 83.8 | Confident | 88 | Confident | 77 Ų | 77 | 73.7 Ų | 73.7 | 36% | 0.36 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -37.1 | -174.2 | -70 | -177.7 | -172.1 | 0 | 0 | 111.9 | T849 S850 Q851 R890 M895 | T849-E893 WeakPolarHBondContact CB-O 3.2Å; S850-E893 PolarHBondContact N-O 3.13Å; Q851-E893 HydrophobicContact CB-CB 4.2Å; Q851-E893 PolarHBondContact N-O 2.85Å; R890-E893 IonicContact NH2-OE1 3.56Å; E893-M895 VanDerWaalsContact C-N 3.31Å; E893-M895 PolarHBondContact O-N 3.22Å |
| 894 | E | 83.7 | Confident | 88.2 | Confident | 142 Ų | 142 | 68.3 Ų | 68.3 | 66% | 0.664 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -3.7 | 179.9 | 67.2 | -83.7 | -169.8 | 0 | 0 | 114.5 | P892 Q896 | P892-E894 VanDerWaalsContact C-N 3.31Å; P892-E894 PolarHBondContact O-N 3.26Å; E894-Q896 PolarHBondContact O-N 2.82Å |
| 895 | M | 86 | Confident | 88.6 | Confident | 42 Ų | 42 | 68.3 Ų | 68.3 | 21% | 0.207 | 32% | 0.321 | C | S | . | . | trans | -67.2 | 128.4 | -176.2 | -165.4 | -174.6 | -151.5 | 0 | 0 | 111.8 | T849 S850 L891 P892 E893 L898 | T849-M895 CarbonylContact C-O 3.47Å; T849-M895 VanDerWaalsContact CA-O 3.27Å; T849-M895 WeakPolarHBondContact CA-O 3.32Å; S850-M895 PolarHBondContact N-O 3.22Å; L891-M895 HydrophobicContact CB-SD 4.29Å; L891-M895 HydrophobicContact CD1-SD 4.42Å; L891-M895 HydrophobicContact CD2-SD 3.86Å; L891-M895 HydrophobicContact CG-SD 4.41Å; P892-M895 HydrophobicContact CB-CB 4.38Å; P892-M895 VanDerWaalsContact O-CB 3.3Å; P892-M895 WeakPolarHBondContact O-CB 3.41Å; P892-M895 PolarHBondContact O-N 3.29Å; E893-M895 VanDerWaalsContact C-N 3.31Å; E893-M895 PolarHBondContact O-N 3.22Å; M895-L898 HydrophobicContact CB-CD2 4.35Å; M895-L898 HydrophobicContact CG-CD2 3.94Å; M895-L898 HydrophobicContact SD-CD2 3.9Å | ||
| 896 | Q | 85.7 | Confident | 88.8 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | trans | -112 | -177.3 | -179.6 | -64.7 | 178.3 | 11.9 | 0 | 0 | 112.5 | K846 E847 T849 E894 L898 R901 | K846-Q896 WeakPolarHBondContact O-CB 3.43Å; E847-Q896 WeakPolarHBondContact O-CG 3.34Å; T849-Q896 HydrophobicContact CG2-CG 3.88Å; E894-Q896 PolarHBondContact O-N 2.82Å; Q896-L898 VanDerWaalsContact C-N 3.29Å; Q896-L898 PolarHBondContact O-N 2.95Å; Q896-R901 PolarHBondContact O-NH1 2.98Å | ||
| 897 | N | 84.9 | Confident | 89.1 | Confident | 23 Ų | 23 | 61.7 Ų | 61.7 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | trans | 51.2 | 41.9 | 175 | -162.7 | 20 | 0 | 0 | 0 | 114.2 | K846 A899 E900 R901 | K846-N897 WeakPolarHBondContact CE-ND2 3.3Å; K846-N897 HydrophobicContact CG-CB 3.91Å; K846-N897 VanDerWaalsContact O-CA 3.28Å; K846-N897 WeakPolarHBondContact O-CA 3.44Å; K846-N897 PolarHBondContact O-N 3.45Å; N897-A899 PolarHBondContact O-N 3.44Å; N897-E900 PolarHBondContact ND2-OE2 3.17Å; N897-E900 PolarHBondContact O-N 3.25Å; N897-R901 WeakPolarHBondContact O-CG 3.49Å; N897-R901 PolarHBondContact O-N 3.21Å | ||
| 898 | L | 88.7 | Confident | 89.3 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -28.8 | -173.2 | -56.9 | -178.3 | 0 | 0 | 0 | 112.4 | L830 V853 L875 L891 M895 Q896 R901 I902 Y908 | L830-L898 HydrophobicContact CD1-CB 3.97Å; L830-L898 HydrophobicContact CD1-CD1 4.15Å; L830-L898 HydrophobicContact CD2-CB 4.22Å; V853-L898 HydrophobicContact CB-CD1 4.38Å; V853-L898 HydrophobicContact CG2-CD1 3.87Å; L875-L898 HydrophobicContact CD2-CD1 3.7Å; L891-L898 HydrophobicContact CD1-CD2 4.24Å; M895-L898 HydrophobicContact CB-CD2 4.35Å; M895-L898 HydrophobicContact CG-CD2 3.94Å; M895-L898 HydrophobicContact SD-CD2 3.9Å; Q896-L898 VanDerWaalsContact C-N 3.29Å; Q896-L898 PolarHBondContact O-N 2.95Å; L898-R901 PolarHBondContact O-N 3.11Å; L898-I902 WeakPolarHBondContact O-CG2 3.34Å; L898-I902 PolarHBondContact O-N 3.35Å; L898-Y908 HydrophobicContact CB-CE2 3.91Å; L898-Y908 PolarHBondContact O-OH 3.01Å |
| 899 | A | 86.3 | Confident | 89.5 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.6 | -36.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | H828 L830 N897 I902 M1161 | H828-A899 HydrophobicContact CB-CB 3.63Å; L830-A899 HydrophobicContact CD2-CB 3.84Å; N897-A899 PolarHBondContact O-N 3.44Å; A899-I902 VanDerWaalsContact O-CG2 3.31Å; A899-I902 WeakPolarHBondContact O-CG2 3.33Å; A899-M1161 VanDerWaalsContact O-CE 3.27Å; A899-M1161 WeakPolarHBondContact O-CE 3.27Å |
| 900 | E | 84.2 | Confident | 89.5 | Confident | 52 Ų | 52 | 45 Ų | 45 | 24% | 0.243 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -82.1 | -25 | 175.5 | -69.2 | -177.5 | 166.1 | 0 | 0 | 112.2 | N897 M1161 T1163 | N897-E900 PolarHBondContact ND2-OE2 3.17Å; N897-E900 PolarHBondContact O-N 3.25Å; E900-M1161 HydrophobicContact CB-CE 4.44Å; E900-M1161 HydrophobicContact CG-CB 4.48Å; E900-M1161 HydrophobicContact CG-CE 3.98Å; E900-M1161 VanDerWaalsContact OE1-C 3.31Å; E900-M1161 VanDerWaalsContact OE1-CA 3.32Å; E900-M1161 WeakPolarHBondContact OE1-CA 3.46Å; E900-T1163 PolarHBondContact OE1-OG1 2.93Å; E900-T1163 PolarHBondContact OE2-OG1 3.07Å |
| 901 | R | 86 | Confident | 89.4 | Confident | 138 Ų | 138 | 40.6 Ų | 40.6 | 52% | 0.521 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -80.6 | -27.3 | -176 | -75 | 178.5 | 164.1 | 158.7 | -6.1 | 114.6 | Q896 N897 L898 S903 | Q896-R901 PolarHBondContact O-NH1 2.98Å; N897-R901 WeakPolarHBondContact O-CG 3.49Å; N897-R901 PolarHBondContact O-N 3.21Å; L898-R901 PolarHBondContact O-N 3.11Å; R901-S903 PolarHBondContact O-N 3.46Å |
| 902 | I | 91.2 | Very high | 89.2 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | trans | -65.9 | 121.7 | -178.5 | -178.6 | 167.5 | 0 | 0 | 0 | 111.8 | L898 A899 Y908 R1196 | L898-I902 WeakPolarHBondContact O-CG2 3.34Å; L898-I902 PolarHBondContact O-N 3.35Å; A899-I902 VanDerWaalsContact O-CG2 3.31Å; A899-I902 WeakPolarHBondContact O-CG2 3.33Å; I902-Y908 HydrophobicContact CB-CE2 3.71Å; I902-Y908 HydrophobicContact CD1-CD2 3.74Å; I902-Y908 HydrophobicContact CD1-CE2 3.76Å; I902-Y908 HydrophobicContact CD1-CG 4.21Å; I902-Y908 HydrophobicContact CG1-CE2 4.19Å; I902-Y908 HydrophobicContact CG2-CE2 4.18Å; I902-R1196 PolarHBondContact O-NH1 2.74Å | ||
| 903 | S | 91.2 | Very high | 89 | Confident | 57 Ų | 57 | 42.2 Ų | 42.2 | 40% | 0.399 | 21% | 0.205 | S | C | . | . | trans | -70 | 159.3 | 173.5 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | R901 N905 S906 | R901-S903 PolarHBondContact O-N 3.46Å; S903-N905 VanDerWaalsContact C-N 3.29Å; S903-N905 VanDerWaalsContact CB-OD1 3.25Å; S903-N905 WeakPolarHBondContact CB-OD1 3.47Å; S903-N905 PolarHBondContact O-N 2.99Å; S903-N905 PolarHBondContact OG-OD1 3.21Å; S903-S906 PolarHBondContact O-N 3.06Å; S903-S906 VanDerWaalsContact O-N 3.16Å | ||
| 904 | L | 90.6 | Very high | 89 | Confident | 31 Ų | 31 | 44.8 Ų | 44.8 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -30.5 | 179.6 | -65.6 | 179 | 0 | 0 | 0 | 113.3 | S906 T934 L1193 R1196 R1197 A1200 | L904-S906 VanDerWaalsContact C-N 3.26Å; L904-S906 PolarHBondContact O-N 3.38Å; L904-T934 HydrophobicContact CD1-CG2 3.73Å; L904-L1193 HydrophobicContact CD2-CD1 3.99Å; L904-R1196 HydrophobicContact CD2-CB 3.85Å; L904-R1197 HydrophobicContact CD1-CG 4.16Å; L904-R1197 HydrophobicContact CD2-CG 3.9Å; L904-A1200 HydrophobicContact CD1-CB 3.43Å; L904-A1200 VanDerWaalsContact CD1-CB 3.43Å; L904-A1200 HydrophobicContact CG-CB 4.31Å |
| 905 | N | 92.5 | Very high | 88.8 | Confident | 33 Ų | 33 | 40.7 Ų | 40.7 | 18% | 0.176 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 20.4 | 175.5 | 66.2 | -13.6 | 0 | 0 | 0 | 112.8 | V880 S903 | V880-N905 PolarHBondContact N-O 2.99Å; V880-N905 PolarHBondContact O-ND2 3.28Å; S903-N905 VanDerWaalsContact C-N 3.29Å; S903-N905 VanDerWaalsContact CB-OD1 3.25Å; S903-N905 WeakPolarHBondContact CB-OD1 3.47Å; S903-N905 PolarHBondContact O-N 2.99Å; S903-N905 PolarHBondContact OG-OD1 3.21Å |
| 906 | S | 94.3 | Very high | 88.4 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.7 | -176 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | V878 T879 S903 L904 | V878-S906 CarbonylContact O-C 3.58Å; V878-S906 VanDerWaalsContact O-CA 3.23Å; V878-S906 WeakPolarHBondContact O-CA 3.44Å; T879-S906 VanDerWaalsContact CB-OG 3.31Å; T879-S906 WeakPolarHBondContact CB-OG 3.39Å; T879-S906 VanDerWaalsContact CG2-OG 3.25Å; T879-S906 WeakPolarHBondContact CG2-OG 3.47Å; T879-S906 PolarHBondContact OG1-OG 3.28Å; S903-S906 PolarHBondContact O-N 3.06Å; S903-S906 VanDerWaalsContact O-N 3.16Å; L904-S906 VanDerWaalsContact C-N 3.26Å; L904-S906 PolarHBondContact O-N 3.38Å |
| 907 | R | 95.1 | Very high | 88.2 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.3 | 175.1 | -70.5 | -179.2 | -178.5 | 170.7 | 6.4 | 110.3 | Y833 V878 Y909 L928 E931 | Y833-R907 HydrophobicContact CD2-CB 4.29Å; Y833-R907 HydrophobicContact CE2-CB 4.3Å; Y833-R907 HydrophobicContact CE2-CG 4.08Å; V878-R907 PolarHBondContact N-O 3.08Å; V878-R907 PolarHBondContact O-N 2.99Å; R907-Y909 HydrophobicContact CB-CD2 4.27Å; R907-Y909 HydrophobicContact CB-CE2 3.61Å; R907-L928 HydrophobicContact CG-CD1 4.05Å; R907-L928 HydrophobicContact CG-CD2 4.11Å; R907-E931 IonicContact CZ-OE2 3.67Å; R907-E931 IonicContact NH2-OE1 2.83Å; R907-E931 IonicContact NH2-OE2 3.79Å; R907-E931 PolarHBondContact NH2-OE2 3.04Å |
| 908 | Y | 96.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.9 | 173.7 | -68.7 | -45.3 | 0 | 0 | 0 | 111.2 | L830 I832 Y833 C876 E877 L891 L898 I902 | L830-Y908 HydrophobicContact CD2-CD2 4.25Å; L830-Y908 HydrophobicContact CD2-CE2 4.07Å; I832-Y908 HydrophobicContact CD1-CD2 4.29Å; I832-Y908 HydrophobicContact CD1-CG 4.37Å; Y833-Y908 PolarHBondContact N-O 3.14Å; C876-Y908 WeakPolarHBondContact O-CA 3.2Å; E877-Y908 HydrophobicContact CB-CD1 4.02Å; E877-Y908 HydrophobicContact CB-CE1 3.9Å; E877-Y908 HydrophobicContact CG-CD1 4.27Å; E877-Y908 HydrophobicContact CG-CE1 3.95Å; L891-Y908 HydrophobicContact CD1-CD1 3.94Å; L891-Y908 HydrophobicContact CD1-CE1 3.58Å; L898-Y908 HydrophobicContact CB-CE2 3.91Å; L898-Y908 PolarHBondContact O-OH 3.01Å; I902-Y908 HydrophobicContact CB-CE2 3.71Å; I902-Y908 HydrophobicContact CD1-CD2 3.74Å; I902-Y908 HydrophobicContact CD1-CE2 3.76Å; I902-Y908 HydrophobicContact CD1-CG 4.21Å; I902-Y908 HydrophobicContact CG1-CE2 4.19Å; I902-Y908 HydrophobicContact CG2-CE2 4.18Å |
| 909 | Y | 94.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.5 | -179.8 | -72.9 | -91.7 | 0 | 0 | 0 | 111.4 | Y833 Q837 C876 V878 R907 L919 V920 | Y833-Y909 HydrophobicContact CD1-CE1 4.44Å; Y833-Y909 HydrophobicContact CG-CE1 4.06Å; Y833-Y909 CarbonylContact O-C 3.52Å; Y833-Y909 VanDerWaalsContact O-CA 3.29Å; Y833-Y909 WeakPolarHBondContact O-CA 3.5Å; Q837-Y909 PolarHBondContact OE1-OH 2.69Å; C876-Y909 PolarHBondContact N-O 3.13Å; C876-Y909 PolarHBondContact O-N 3.13Å; V878-Y909 HydrophobicContact CB-CD2 3.92Å; V878-Y909 HydrophobicContact CB-CE2 3.87Å; V878-Y909 HydrophobicContact CG2-CD2 3.5Å; V878-Y909 HydrophobicContact CG2-CE2 3.85Å; V878-Y909 HydrophobicContact CG2-CG 4.38Å; R907-Y909 HydrophobicContact CB-CD2 4.27Å; R907-Y909 HydrophobicContact CB-CE2 3.61Å; Y909-L919 HydrophobicContact CD1-CB 4.15Å; Y909-L919 HydrophobicContact CD2-CB 4.46Å; Y909-L919 HydrophobicContact CD2-CD1 4.44Å; Y909-L919 HydrophobicContact CE1-CB 4.45Å; Y909-L919 HydrophobicContact CG-CB 4.18Å; Y909-L919 HydrophobicContact CG-CD1 3.98Å; Y909-V920 HydrophobicContact CE2-CG2 3.65Å; Y909-V920 VanDerWaalsContact OH-CG2 3.24Å; Y909-V920 WeakPolarHBondContact OH-CG2 3.44Å |
| 910 | L | 92.4 | Very high | 88 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 109.6 | 166.4 | -177.8 | 63.4 | 0 | 0 | 0 | 108.5 | I832 Y833 V854 A857 L858 F861 W873 | I832-L910 HydrophobicContact CG2-CB 4.09Å; Y833-L910 PolarHBondContact O-N 2.73Å; V854-L910 HydrophobicContact CG1-CD1 3.96Å; V854-L910 HydrophobicContact CG2-CD1 4.49Å; A857-L910 HydrophobicContact CB-CD1 4.5Å; A857-L910 HydrophobicContact CB-CD2 4.04Å; L858-L910 HydrophobicContact CD2-CD2 3.98Å; L858-L910 HydrophobicContact CG-CD2 4.31Å; F861-L910 HydrophobicContact CD2-CD2 4.01Å; F861-L910 HydrophobicContact CE2-CD2 4.45Å; W873-L910 HydrophobicContact CB-CD1 4.17Å; W873-L910 HydrophobicContact CD2-CD1 4.49Å; W873-L910 HydrophobicContact CD2-CG 4.47Å; W873-L910 HydrophobicContact CE3-CD1 3.88Å; W873-L910 HydrophobicContact CE3-CD2 4.14Å; W873-L910 HydrophobicContact CE3-CG 3.55Å; W873-L910 HydrophobicContact CZ3-CD2 4.31Å; W873-L910 HydrophobicContact CZ3-CG 3.9Å |
| 911 | K | 89 | Confident | 88.1 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.2 | -176.4 | -177.8 | 177.4 | 178.3 | 173.3 | 0 | 111 | W873 S874 C876 C915 L919 | W873-K911 WeakPolarHBondContact CA-O 3.11Å; W873-K911 VanDerWaalsContact CE3-C 3.46Å; S874-K911 PolarHBondContact N-O 3.01Å; S874-K911 PolarHBondContact O-N 3.4Å; C876-K911 HydrophobicContact CB-CB 4.46Å; K911-C915 WeakPolarHBondContact CE-O 3.41Å; K911-L919 HydrophobicContact CB-CD1 4.22Å; K911-L919 HydrophobicContact CB-CD2 4.47Å; K911-L919 HydrophobicContact CD-CD1 4.14Å; K911-L919 HydrophobicContact CG-CD1 4.44Å; K911-L919 HydrophobicContact CG-CD2 4.4Å |
| 912 | N | 87.3 | Confident | 88.1 | Confident | 40 Ų | 40 | 49.1 Ų | 49.1 | 21% | 0.214 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.2 | 166 | -172.2 | -34.9 | 0 | 0 | 0 | 108.8 | W873 N914 C915 | W873-N912 HydrophobicContact CD2-CB 4.24Å; W873-N912 HydrophobicContact CE3-CB 4.03Å; W873-N912 HydrophobicContact CH2-CB 3.78Å; W873-N912 HydrophobicContact CZ2-CB 3.95Å; W873-N912 HydrophobicContact CZ3-CB 3.83Å; N912-N914 PolarHBondContact O-N 3.18Å; N912-N914 VanDerWaalsContact O-N 3.16Å; N912-N914 WeakPolarHBondContact OD1-CB 3.23Å; N912-N914 PolarHBondContact OD1-N 3.33Å; N912-C915 HydrophobicContact CB-CB 4.14Å; N912-C915 WeakPolarHBondContact O-CB 3.33Å; N912-C915 PolarHBondContact O-N 3.18Å |
| 913 | N | 84.5 | Confident | 88 | Confident | 61 Ų | 61 | 55 Ų | 55 | 33% | 0.326 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.9 | -178.9 | -66.8 | -26.4 | 0 | 0 | 0 | 112.6 | L871 Q872 S874 C915 | L871-N913 PolarHBondContact O-ND2 2.85Å; Q872-N913 WeakPolarHBondContact O-CB 3.39Å; Q872-N913 VanDerWaalsContact O-CG 3.28Å; Q872-N913 PolarHBondContact O-N 3.02Å; Q872-N913 PolarHBondContact O-ND2 3.39Å; S874-N913 WeakPolarHBondContact CB-OD1 3.36Å; S874-N913 VanDerWaalsContact OG-CG 3.31Å; S874-N913 PolarHBondContact OG-ND2 3.37Å; S874-N913 VanDerWaalsContact OG-ND2 3.15Å; S874-N913 PolarHBondContact OG-OD1 3.4Å; N913-C915 VanDerWaalsContact C-N 3.33Å |
| 914 | N | 84 | Confident | 87.8 | Confident | 131 Ų | 131 | 54.2 Ų | 54.2 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -7.4 | 176.9 | -58.2 | -14.4 | 0 | 0 | 0 | 113 | N912 | N912-N914 PolarHBondContact O-N 3.18Å; N912-N914 VanDerWaalsContact O-N 3.16Å; N912-N914 WeakPolarHBondContact OD1-CB 3.23Å; N912-N914 PolarHBondContact OD1-N 3.33Å |
| 915 | C | 79.9 | Confident | 87.8 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | trans | -101.3 | 120.4 | 179.7 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | K911 N912 N913 | K911-C915 WeakPolarHBondContact CE-O 3.41Å; N912-C915 HydrophobicContact CB-CB 4.14Å; N912-C915 WeakPolarHBondContact O-CB 3.33Å; N912-C915 PolarHBondContact O-N 3.18Å; N913-C915 VanDerWaalsContact C-N 3.33Å | ||
| 916 | S | 78 | Confident | 87.6 | Confident | 115 Ų | 115 | 53.3 Ų | 53.3 | 80% | 0.804 | 32% | 0.315 | S | S | * | . | trans | -95.2 | -2.4 | 178.1 | 55.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 917 | V | 81.3 | Confident | 87.4 | Confident | 92 Ų | 92 | 58.6 Ų | 58.6 | 56% | 0.558 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -61.2 | 134.2 | -178.2 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | L919 | V917-L919 PolarHBondContact O-N 3.02Š|
| 918 | P | 81.8 | Confident | 87.1 | Confident | 101 Ų | 101 | 57.6 Ų | 57.6 | 66% | 0.656 | 34% | 0.336 | S | S | * | . | trans | -55.6 | 131.5 | 172.3 | -24.8 | 34.1 | 0 | 0 | 0 | 111.4 | ||||
| 919 | L | 86.1 | Confident | 86.7 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -78.8 | -19.9 | -176.6 | -64.9 | 173.8 | 0 | 0 | 0 | 113.6 | Q837 C876 V878 Q888 Y909 K911 V917 | Q837-L919 PolarHBondContact NE2-O 2.82Å; C876-L919 HydrophobicContact CB-CD1 4.17Å; V878-L919 HydrophobicContact CG2-CB 4.14Å; V878-L919 HydrophobicContact CG2-CD1 3.93Å; Q888-L919 HydrophobicContact CG-CD1 4.41Å; Y909-L919 HydrophobicContact CD1-CB 4.15Å; Y909-L919 HydrophobicContact CD2-CB 4.46Å; Y909-L919 HydrophobicContact CD2-CD1 4.44Å; Y909-L919 HydrophobicContact CE1-CB 4.45Å; Y909-L919 HydrophobicContact CG-CB 4.18Å; Y909-L919 HydrophobicContact CG-CD1 3.98Å; K911-L919 HydrophobicContact CB-CD1 4.22Å; K911-L919 HydrophobicContact CB-CD2 4.47Å; K911-L919 HydrophobicContact CD-CD1 4.14Å; K911-L919 HydrophobicContact CG-CD1 4.44Å; K911-L919 HydrophobicContact CG-CD2 4.4Å; V917-L919 PolarHBondContact O-N 3.02Å |
| 920 | V | 87.2 | Confident | 86.4 | Confident | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.036 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -131.5 | 131.9 | -178.4 | 173 | 0 | 0 | 0 | 0 | 107.6 | V878 I886 Y909 Q924 A925 | V878-V920 HydrophobicContact CB-CG2 4.17Å; V878-V920 HydrophobicContact CG1-CB 4.12Å; V878-V920 HydrophobicContact CG1-CG2 3.61Å; V878-V920 HydrophobicContact CG2-CG2 4.46Å; I886-V920 HydrophobicContact CD1-CB 4.33Å; I886-V920 HydrophobicContact CD1-CG1 4.07Å; I886-V920 HydrophobicContact CG2-CB 4.4Å; Y909-V920 HydrophobicContact CE2-CG2 3.65Å; Y909-V920 VanDerWaalsContact OH-CG2 3.24Å; Y909-V920 WeakPolarHBondContact OH-CG2 3.44Å; V920-Q924 HydrophobicContact CG1-CB 3.9Å; V920-A925 HydrophobicContact CG1-CB 4.15Å |
| 921 | T | 87.2 | Confident | 86.1 | Confident | 70 Ų | 70 | 71.4 Ų | 71.4 | 43% | 0.429 | 40% | 0.399 | S | S | . | . | trans | -86.7 | 162.1 | 173.5 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | D923 Q924 A925 | T921-D923 VanDerWaalsContact C-N 3.29Å; T921-D923 PolarHBondContact O-N 3.49Å; T921-Q924 WeakPolarHBondContact O-CB 3.27Å; T921-Q924 PolarHBondContact O-N 3.32Å; T921-Q924 VanDerWaalsContact O-N 3.09Å; T921-Q924 VanDerWaalsContact OG1-CD 3.25Å; T921-Q924 VanDerWaalsContact OG1-CG 3.3Å; T921-Q924 WeakPolarHBondContact OG1-CG 3.27Å; T921-A925 PolarHBondContact O-N 3.24Å | ||
| 922 | D | 85.9 | Confident | 86.1 | Confident | 136 Ų | 136 | 70.9 Ų | 70.9 | 73% | 0.727 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59 | -39.9 | -179.7 | -63.3 | -21.1 | 0 | 0 | 0 | 112.3 | Q924 A925 G926 | D922-Q924 VanDerWaalsContact C-N 3.34Å; D922-Q924 PolarHBondContact O-N 2.77Å; D922-A925 WeakPolarHBondContact O-CB 3.06Å; D922-A925 PolarHBondContact O-N 3.46Å; D922-G926 PolarHBondContact O-N 3.07Å; D922-G926 VanDerWaalsContact O-N 3.12Å |
| 923 | D | 88.3 | Confident | 86.1 | Confident | 139 Ų | 139 | 75.2 Ų | 75.2 | 74% | 0.743 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 175.2 | -63.6 | -31.7 | 0 | 0 | 0 | 112 | T921 A925 G926 E927 | T921-D923 VanDerWaalsContact C-N 3.29Å; T921-D923 PolarHBondContact O-N 3.49Å; D923-A925 VanDerWaalsContact C-N 3.32Å; D923-A925 PolarHBondContact O-N 2.75Å; D923-G926 PolarHBondContact O-N 2.8Å; D923-E927 PolarHBondContact O-N 3.32Å; D923-E927 VanDerWaalsContact O-N 3.16Å |
| 924 | Q | 88.3 | Confident | 86.3 | Confident | 41 Ų | 41 | 74.1 Ų | 74.1 | 19% | 0.192 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -70.1 | -30.4 | 178.3 | -70 | 166 | 4.8 | 0 | 0 | 112.2 | Q837 V920 T921 D922 E927 L928 | Q837-Q924 VanDerWaalsContact CD-OE1 3.27Å; Q837-Q924 VanDerWaalsContact CG-NE2 3.26Å; V920-Q924 HydrophobicContact CG1-CB 3.9Å; T921-Q924 WeakPolarHBondContact O-CB 3.27Å; T921-Q924 PolarHBondContact O-N 3.32Å; T921-Q924 VanDerWaalsContact O-N 3.09Å; T921-Q924 VanDerWaalsContact OG1-CD 3.25Å; T921-Q924 VanDerWaalsContact OG1-CG 3.3Å; T921-Q924 WeakPolarHBondContact OG1-CG 3.27Å; D922-Q924 VanDerWaalsContact C-N 3.34Å; D922-Q924 PolarHBondContact O-N 2.77Å; Q924-E927 PolarHBondContact O-N 2.9Å; Q924-L928 WeakPolarHBondContact O-CB 3.49Å; Q924-L928 PolarHBondContact O-N 3.39Å |
| 925 | A | 89 | Confident | 86.6 | Confident | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.033 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V880 I886 V920 T921 D922 D923 L928 L929 | V880-A925 HydrophobicContact CG1-CB 3.95Å; V880-A925 HydrophobicContact CG2-CB 3.9Å; I886-A925 HydrophobicContact CD1-CB 3.96Å; I886-A925 HydrophobicContact CG1-CB 3.98Å; V920-A925 HydrophobicContact CG1-CB 4.15Å; T921-A925 PolarHBondContact O-N 3.24Å; D922-A925 WeakPolarHBondContact O-CB 3.06Å; D922-A925 PolarHBondContact O-N 3.46Å; D923-A925 VanDerWaalsContact C-N 3.32Å; D923-A925 PolarHBondContact O-N 2.75Å; A925-L928 PolarHBondContact O-N 3.08Å; A925-L929 WeakPolarHBondContact O-CG 3.48Å; A925-L929 PolarHBondContact O-N 3.5Å |
| 926 | G | 89.8 | Confident | 87.2 | Confident | 42 Ų | 42 | 68.4 Ų | 68.4 | 43% | 0.433 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D922 D923 L929 K930 | D922-G926 PolarHBondContact O-N 3.07Å; D922-G926 VanDerWaalsContact O-N 3.12Å; D923-G926 PolarHBondContact O-N 2.8Å; G926-L929 PolarHBondContact O-N 3.04Å; G926-K930 PolarHBondContact O-N 3.42Å; G926-K930 VanDerWaalsContact O-N 3.1Å |
| 927 | E | 88.5 | Confident | 87.9 | Confident | 117 Ų | 117 | 65.3 Ų | 65.3 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 174.7 | -70.5 | -173.4 | 166.5 | 0 | 0 | 112.4 | D923 Q924 L929 K930 E931 | D923-E927 PolarHBondContact O-N 3.32Å; D923-E927 VanDerWaalsContact O-N 3.16Å; Q924-E927 PolarHBondContact O-N 2.9Å; E927-L929 VanDerWaalsContact C-N 3.34Å; E927-L929 PolarHBondContact O-N 3.44Å; E927-K930 PolarHBondContact O-N 2.89Å; E927-E931 WeakPolarHBondContact O-CB 2.83Å; E927-E931 WeakPolarHBondContact O-CG 3.18Å; E927-E931 PolarHBondContact O-N 2.84Å |
| 928 | L | 88.9 | Confident | 88.3 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 179.6 | -176.9 | 54.7 | 0 | 0 | 0 | 112.2 | V880 R907 Q924 A925 E931 S932 | V880-L928 HydrophobicContact CG2-CD2 3.83Å; V880-L928 HydrophobicContact CG2-CG 4.46Å; R907-L928 HydrophobicContact CG-CD1 4.05Å; R907-L928 HydrophobicContact CG-CD2 4.11Å; Q924-L928 WeakPolarHBondContact O-CB 3.49Å; Q924-L928 PolarHBondContact O-N 3.39Å; A925-L928 PolarHBondContact O-N 3.08Å; L928-E931 PolarHBondContact O-N 3.28Å; L928-S932 WeakPolarHBondContact O-CB 3.36Å; L928-S932 PolarHBondContact O-N 2.89Å; L928-S932 VanDerWaalsContact O-N 3.15Å |
| 929 | L | 88.9 | Confident | 88.9 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 19% | 0.194 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 172.8 | -76 | 173.7 | 0 | 0 | 0 | 111.3 | V880 A925 G926 E927 E931 S932 E933 | V880-L929 HydrophobicContact CB-CD2 4.22Å; V880-L929 HydrophobicContact CB-CG 4.21Å; V880-L929 HydrophobicContact CG1-CD1 3.69Å; V880-L929 HydrophobicContact CG1-CD2 3.91Å; V880-L929 HydrophobicContact CG1-CG 3.59Å; A925-L929 WeakPolarHBondContact O-CG 3.48Å; A925-L929 PolarHBondContact O-N 3.5Å; G926-L929 PolarHBondContact O-N 3.04Å; E927-L929 VanDerWaalsContact C-N 3.34Å; E927-L929 PolarHBondContact O-N 3.44Å; L929-E931 VanDerWaalsContact C-N 3.31Å; L929-E931 PolarHBondContact O-N 3Å; L929-S932 WeakPolarHBondContact O-CB 3.45Å; L929-S932 PolarHBondContact O-N 3.41Å; L929-S932 PolarHBondContact O-OG 3.38Å; L929-E933 PolarHBondContact O-N 2.98Å |
| 930 | K | 88.1 | Confident | 89.2 | Confident | 163 Ų | 163 | 66 Ų | 66 | 71% | 0.709 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.7 | -37 | 177.3 | -170.8 | 178.8 | -179.4 | 179.7 | 0 | 112.8 | G926 E927 S932 | G926-K930 PolarHBondContact O-N 3.42Å; G926-K930 VanDerWaalsContact O-N 3.1Å; E927-K930 PolarHBondContact O-N 2.89Å; K930-S932 VanDerWaalsContact C-N 3.25Å; K930-S932 PolarHBondContact O-N 3.48Å |
| 931 | E | 86.4 | Confident | 89.5 | Confident | 95 Ų | 95 | 66.6 Ų | 66.6 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.9 | -22.7 | 175.2 | -76.5 | -178.1 | 169 | 0 | 0 | 113.6 | R907 E927 L928 L929 R1197 | R907-E931 IonicContact CZ-OE2 3.67Å; R907-E931 IonicContact NH2-OE1 2.83Å; R907-E931 IonicContact NH2-OE2 3.79Å; R907-E931 PolarHBondContact NH2-OE2 3.04Å; E927-E931 WeakPolarHBondContact O-CB 2.83Å; E927-E931 WeakPolarHBondContact O-CG 3.18Å; E927-E931 PolarHBondContact O-N 2.84Å; L928-E931 PolarHBondContact O-N 3.28Å; L929-E931 VanDerWaalsContact C-N 3.31Å; L929-E931 PolarHBondContact O-N 3Å; E931-R1197 PolarHBondContact O-NH2 2.81Å |
| 932 | S | 88.6 | Confident | 89.7 | Confident | 26 Ų | 26 | 64.4 Ų | 64.4 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -83.6 | -19.8 | -178 | 78.9 | 0 | 0 | 0 | 0 | 113.7 | L928 L929 K930 | L928-S932 WeakPolarHBondContact O-CB 3.36Å; L928-S932 PolarHBondContact O-N 2.89Å; L928-S932 VanDerWaalsContact O-N 3.15Å; L929-S932 WeakPolarHBondContact O-CB 3.45Å; L929-S932 PolarHBondContact O-N 3.41Å; L929-S932 PolarHBondContact O-OG 3.38Å; K930-S932 VanDerWaalsContact C-N 3.25Å; K930-S932 PolarHBondContact O-N 3.48Å |
| 933 | E | 88.3 | Confident | 89.9 | Confident | 131 Ų | 131 | 57.9 Ų | 57.9 | 61% | 0.612 | 30% | 0.304 | S | S | * | . | trans | -66.1 | 131.1 | 176.1 | -68.7 | 179.6 | -174.4 | 0 | 0 | 111.4 | L929 | L929-E933 PolarHBondContact O-N 2.98Š| ||
| 934 | T | 88.8 | Confident | 90.2 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | trans | -114.3 | 116.1 | -179.8 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | L904 R1197 | L904-T934 HydrophobicContact CD1-CG2 3.73Å; T934-R1197 HydrophobicContact CG2-CB 3.89Å; T934-R1197 HydrophobicContact CG2-CG 3.96Å | ||
| 935 | V | 89.9 | Confident | 90.5 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 40% | 0.4 | 26% | 0.26 | S | S | . | . | trans | -109.3 | 132.5 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | T937 Q938 | V935-T937 PolarHBondContact O-N 3.01Å; V935-Q938 HydrophobicContact CB-CG 4.36Å; V935-Q938 WeakPolarHBondContact O-CB 3.47Å; V935-Q938 PolarHBondContact O-N 3.09Å | ||
| 936 | L | 93.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -47 | -40 | -177.4 | 177.9 | 58.6 | 0 | 0 | 0 | 113.8 | Q938 L939 L944 W993 E997 I1010 K1013 F1014 I1017 Y1201 | L936-Q938 VanDerWaalsContact C-N 3.27Å; L936-Q938 PolarHBondContact O-N 3.34Å; L936-L939 PolarHBondContact O-N 2.67Å; L936-L944 HydrophobicContact CD1-CD1 3.78Å; L936-W993 HydrophobicContact CD1-CZ2 3.98Å; L936-E997 HydrophobicContact CD2-CB 4.35Å; L936-E997 HydrophobicContact CD2-CG 4.01Å; L936-I1010 HydrophobicContact CD2-CG2 4.04Å; L936-K1013 HydrophobicContact CD1-CG 4.23Å; L936-K1013 HydrophobicContact CG-CG 4.16Å; L936-K1013 WeakPolarHBondContact O-CE 3.34Å; L936-F1014 HydrophobicContact CD2-CD2 4.45Å; L936-F1014 HydrophobicContact CD2-CE1 4.24Å; L936-F1014 HydrophobicContact CD2-CE2 3.7Å; L936-F1014 HydrophobicContact CD2-CZ 3.56Å; L936-I1017 HydrophobicContact CD1-CD1 4.36Å; L936-Y1201 HydrophobicContact CB-CE2 4.08Å; L936-Y1201 HydrophobicContact CD1-CE1 3.93Å |
| 937 | T | 91.1 | Very high | 90.8 | Very high | 51 Ų | 51 | 47.5 Ų | 47.5 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -64.4 | -29.2 | -178.8 | 57 | 0 | 0 | 0 | 0 | 113.6 | V935 K1009 I1010 K1013 | V935-T937 PolarHBondContact O-N 3.01Å; T937-K1009 HydrophobicContact CG2-CB 4.31Å; T937-I1010 HydrophobicContact CG2-CG1 3.98Å; T937-K1013 WeakPolarHBondContact O-CE 2.94Å; T937-K1013 PolarHBondContact O-NZ 3.33Å |
| 938 | Q | 91.4 | Very high | 91.1 | Very high | 115 Ų | 115 | 42.2 Ų | 42.2 | 54% | 0.537 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -82.9 | -15.1 | 179.5 | -60.2 | 177.6 | 2 | 0 | 0 | 113.2 | V935 L936 | V935-Q938 HydrophobicContact CB-CG 4.36Å; V935-Q938 WeakPolarHBondContact O-CB 3.47Å; V935-Q938 PolarHBondContact O-N 3.09Å; L936-Q938 VanDerWaalsContact C-N 3.27Å; L936-Q938 PolarHBondContact O-N 3.34Å |
| 939 | L | 94 | Very high | 91.4 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -81.2 | 148.4 | -178.7 | -58.3 | 179.4 | 0 | 0 | 0 | 111.9 | L936 A941 L944 K1013 M1194 R1197 V1198 Y1201 | L936-L939 PolarHBondContact O-N 2.67Å; L939-A941 PolarHBondContact O-N 3.31Å; L939-L944 HydrophobicContact CB-CD1 3.53Å; L939-L944 HydrophobicContact CB-CG 4.17Å; L939-L944 HydrophobicContact CD1-CD1 4Å; L939-L944 HydrophobicContact CD1-CD2 4.12Å; L939-L944 HydrophobicContact CD1-CG 4.32Å; L939-L944 HydrophobicContact CG-CD1 4.42Å; L939-K1013 PolarHBondContact O-NZ 3.04Å; L939-M1194 HydrophobicContact CD2-SD 4.34Å; L939-R1197 HydrophobicContact CD2-CB 3.8Å; L939-V1198 HydrophobicContact CB-CG2 4.27Å; L939-V1198 HydrophobicContact CD1-CG2 4.35Å; L939-V1198 HydrophobicContact CD2-CG2 4.13Å; L939-V1198 HydrophobicContact CG-CG2 4.49Å; L939-Y1201 HydrophobicContact CD1-CD1 3.63Å; L939-Y1201 HydrophobicContact CD1-CD2 4.19Å; L939-Y1201 HydrophobicContact CD1-CE1 4.35Å; L939-Y1201 HydrophobicContact CD1-CG 3.54Å |
| 940 | H | 92.7 | Very high | 91.6 | Very high | 103 Ų | 103 | 40.3 Ų | 40.3 | 48% | 0.477 | 21% | 0.205 | S | C | . | . | trans | -74.7 | 125.6 | 174.4 | -74.7 | -165.8 | 0 | 0 | 0 | 110.6 | S942 T943 L944 M1194 | H940-S942 PolarHBondContact O-N 2.87Å; H940-T943 PolarHBondContact O-N 2.99Å; H940-L944 PolarHBondContact O-N 3.25Å; H940-M1194 HydrophobicContact CB-CE 4.42Å; H940-M1194 HydrophobicContact CB-CG 4.25Å; H940-M1194 HydrophobicContact CB-SD 4.16Å; H940-M1194 WeakPolarHBondContact CD2-CE 3.45Å; H940-M1194 WeakPolarHBondContact NE2-CE 3.48Å | ||
| 941 | A | 93.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60 | -36.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L939 L944 A945 K1013 K1016 I1017 | L939-A941 PolarHBondContact O-N 3.31Å; A941-L944 PolarHBondContact O-N 2.97Å; A941-A945 WeakPolarHBondContact O-CB 3.36Å; A941-A945 PolarHBondContact O-N 3.4Å; A941-K1013 HydrophobicContact CB-CD 4.17Å; A941-K1016 HydrophobicContact CB-CB 3.93Å; A941-I1017 HydrophobicContact CB-CG1 3.9Å |
| 942 | S | 90.2 | Very high | 92.2 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 17% | 0.168 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.7 | -43 | 177.8 | 58 | 0 | 0 | 0 | 0 | 113.3 | H940 A946 | H940-S942 PolarHBondContact O-N 2.87Å; S942-A946 VanDerWaalsContact O-CB 3.31Å; S942-A946 WeakPolarHBondContact O-CB 3.32Å; S942-A946 PolarHBondContact O-N 3.38Å |
| 943 | T | 91.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 174.4 | -52.3 | 0 | 0 | 0 | 0 | 111.5 | H940 A946 Q947 L1158 M1194 V1195 V1198 | H940-T943 PolarHBondContact O-N 2.99Å; T943-A946 PolarHBondContact O-N 3Å; T943-Q947 VanDerWaalsContact O-CG 3.26Å; T943-Q947 WeakPolarHBondContact O-CG 3.49Å; T943-Q947 PolarHBondContact O-N 3.02Å; T943-L1158 HydrophobicContact CG2-CD1 3.9Å; T943-L1158 HydrophobicContact CG2-CG 4.22Å; T943-M1194 HydrophobicContact CG2-CG 4.33Å; T943-V1195 HydrophobicContact CG2-CG2 3.93Å; T943-V1198 HydrophobicContact CG2-CB 4.33Å; T943-V1198 HydrophobicContact CG2-CG2 3.88Å |
| 944 | L | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.4 | -55.7 | 174.7 | -87 | 162.5 | 0 | 0 | 0 | 111.6 | L936 L939 H940 A941 A946 Q947 L948 I1017 V1198 Y1201 L1202 | L936-L944 HydrophobicContact CD1-CD1 3.78Å; L939-L944 HydrophobicContact CB-CD1 3.53Å; L939-L944 HydrophobicContact CB-CG 4.17Å; L939-L944 HydrophobicContact CD1-CD1 4Å; L939-L944 HydrophobicContact CD1-CD2 4.12Å; L939-L944 HydrophobicContact CD1-CG 4.32Å; L939-L944 HydrophobicContact CG-CD1 4.42Å; H940-L944 PolarHBondContact O-N 3.25Å; A941-L944 PolarHBondContact O-N 2.97Å; L944-A946 PolarHBondContact O-N 3.35Å; L944-Q947 PolarHBondContact O-N 2.98Å; L944-Q947 VanDerWaalsContact O-N 3.08Å; L944-L948 WeakPolarHBondContact O-CG 3.38Å; L944-L948 PolarHBondContact O-N 3.08Å; L944-I1017 HydrophobicContact CB-CD1 4.35Å; L944-I1017 HydrophobicContact CB-CG1 4.45Å; L944-I1017 HydrophobicContact CD1-CD1 3.94Å; L944-V1198 HydrophobicContact CD2-CB 4.4Å; L944-V1198 HydrophobicContact CD2-CG1 3.6Å; L944-V1198 HydrophobicContact CD2-CG2 4.21Å; L944-V1198 HydrophobicContact CG-CG1 4Å; L944-V1198 HydrophobicContact CG-CG2 3.91Å; L944-Y1201 HydrophobicContact CD2-CD1 4.25Å; L944-L1202 HydrophobicContact CD2-CD1 4.37Å; L944-L1202 HydrophobicContact CD2-CD2 4.14Å; L944-L1202 HydrophobicContact CD2-CG 4.23Å |
| 945 | A | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59 | -36.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A941 T949 I1017 Q1020 F1024 | A941-A945 WeakPolarHBondContact O-CB 3.36Å; A941-A945 PolarHBondContact O-N 3.4Å; A945-T949 WeakPolarHBondContact O-CB 3.46Å; A945-T949 PolarHBondContact O-N 3.38Å; A945-T949 PolarHBondContact O-OG1 2.74Å; A945-I1017 HydrophobicContact CB-CG2 4.16Å; A945-Q1020 HydrophobicContact CB-CB 3.63Å; A945-Q1020 HydrophobicContact CB-CG 3.44Å; A945-Q1020 VanDerWaalsContact CB-CG 3.44Å; A945-F1024 HydrophobicContact CB-CD2 4.13Å; A945-F1024 HydrophobicContact CB-CE2 3.85Å |
| 946 | A | 91.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.6 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S942 T943 L944 T949 L950 F1024 M1144 F1145 L1158 | S942-A946 VanDerWaalsContact O-CB 3.31Å; S942-A946 WeakPolarHBondContact O-CB 3.32Å; S942-A946 PolarHBondContact O-N 3.38Å; T943-A946 PolarHBondContact O-N 3Å; L944-A946 PolarHBondContact O-N 3.35Å; A946-T949 PolarHBondContact O-N 3.18Å; A946-L950 WeakPolarHBondContact O-CB 3.49Å; A946-L950 WeakPolarHBondContact O-CG 3.26Å; A946-L950 PolarHBondContact O-N 3.04Å; A946-F1024 HydrophobicContact CB-CE2 3.85Å; A946-F1024 HydrophobicContact CB-CZ 4.4Å; A946-M1144 HydrophobicContact CB-CE 4.44Å; A946-F1145 HydrophobicContact CB-CE2 4.47Å; A946-F1145 HydrophobicContact CB-CZ 4.34Å; A946-L1158 HydrophobicContact CB-CD1 4.32Å; A946-L1158 HydrophobicContact CB-CD2 3.71Å |
| 947 | Q | 92.7 | Very high | 93.3 | Very high | 8 Ų | 8 | 22.8 Ų | 22.8 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.1 | -42.2 | 176.5 | -67.2 | -65.1 | -37.5 | 0 | 0 | 111.9 | T943 L944 L950 Q951 L1158 N1162 V1198 L1202 | T943-Q947 VanDerWaalsContact O-CG 3.26Å; T943-Q947 WeakPolarHBondContact O-CG 3.49Å; T943-Q947 PolarHBondContact O-N 3.02Å; L944-Q947 PolarHBondContact O-N 2.98Å; L944-Q947 VanDerWaalsContact O-N 3.08Å; Q947-L950 PolarHBondContact O-N 2.85Å; Q947-Q951 WeakPolarHBondContact O-CB 3.43Å; Q947-Q951 PolarHBondContact O-N 3.35Å; Q947-L1158 VanDerWaalsContact NE2-CD2 3.27Å; Q947-N1162 PolarHBondContact NE2-ND2 3.45Å; Q947-N1162 PolarHBondContact NE2-OD1 3.38Å; Q947-N1162 PolarHBondContact OE1-OD1 2.86Å; Q947-V1198 HydrophobicContact CB-CG1 3.89Å; Q947-V1198 HydrophobicContact CG-CG1 3.67Å; Q947-L1202 HydrophobicContact CB-CD1 4.16Å |
| 948 | L | 94.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.4 | -50.1 | 172.6 | -63.2 | 176.6 | 0 | 0 | 0 | 110.7 | L944 L950 Q951 D952 E990 W993 I1017 I1033 L1202 | L944-L948 WeakPolarHBondContact O-CG 3.38Å; L944-L948 PolarHBondContact O-N 3.08Å; L948-L950 VanDerWaalsContact C-N 3.33Å; L948-L950 PolarHBondContact O-N 2.85Å; L948-Q951 PolarHBondContact O-N 3.05Å; L948-Q951 VanDerWaalsContact O-N 3.15Å; L948-D952 WeakPolarHBondContact O-CB 3.43Å; L948-D952 PolarHBondContact O-N 2.86Å; L948-E990 WeakPolarHBondContact CD2-OE1 3.37Å; L948-W993 HydrophobicContact CD1-CH2 4.24Å; L948-W993 HydrophobicContact CD1-CZ3 3.81Å; L948-W993 HydrophobicContact CD2-CZ3 4.44Å; L948-I1017 HydrophobicContact CD1-CG2 4.04Å; L948-I1033 HydrophobicContact CD1-CD1 4.46Å; L948-L1202 HydrophobicContact CD2-CD1 3.92Å; L948-L1202 HydrophobicContact CD2-CD2 3.92Å |
| 949 | T | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.7 | -41.6 | -179.8 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | A945 A946 F953 F1024 N1026 I1090 Y1139 M1144 | A945-T949 WeakPolarHBondContact O-CB 3.46Å; A945-T949 PolarHBondContact O-N 3.38Å; A945-T949 PolarHBondContact O-OG1 2.74Å; A946-T949 PolarHBondContact O-N 3.18Å; T949-F953 WeakPolarHBondContact O-CB 3.39Å; T949-F953 PolarHBondContact O-N 3.05Å; T949-F1024 HydrophobicContact CG2-CB 4.32Å; T949-N1026 WeakPolarHBondContact CA-ND2 3.4Å; T949-N1026 HydrophobicContact CG2-CB 3.95Å; T949-N1026 PolarHBondContact OG1-ND2 2.89Å; T949-I1090 HydrophobicContact CG2-CD1 4.06Å; T949-Y1139 HydrophobicContact CG2-CD1 4.28Å; T949-Y1139 HydrophobicContact CG2-CD2 4.15Å; T949-Y1139 HydrophobicContact CG2-CE1 4Å; T949-Y1139 HydrophobicContact CG2-CE2 3.85Å; T949-Y1139 HydrophobicContact CG2-CG 4.36Å; T949-M1144 HydrophobicContact CG2-CE 3.65Å |
| 950 | L | 92.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.1 | -36.4 | 178.2 | -69 | 169.6 | 0 | 0 | 0 | 112.3 | A946 Q947 L948 A954 L1141 N1162 F1164 V1170 A1171 | A946-L950 WeakPolarHBondContact O-CB 3.49Å; A946-L950 WeakPolarHBondContact O-CG 3.26Å; A946-L950 PolarHBondContact O-N 3.04Å; Q947-L950 PolarHBondContact O-N 2.85Å; L948-L950 VanDerWaalsContact C-N 3.33Å; L948-L950 PolarHBondContact O-N 2.85Å; L950-A954 VanDerWaalsContact O-CB 3.26Å; L950-A954 WeakPolarHBondContact O-CB 3.43Å; L950-A954 PolarHBondContact O-N 2.86Å; L950-L1141 HydrophobicContact CD1-CD1 4.02Å; L950-L1141 HydrophobicContact CD1-CD2 4.08Å; L950-L1141 HydrophobicContact CD1-CG 4.19Å; L950-L1141 HydrophobicContact CD2-CD1 3.96Å; L950-N1162 HydrophobicContact CD1-CB 4.36Å; L950-N1162 WeakPolarHBondContact CD1-ND2 3.48Å; L950-F1164 HydrophobicContact CB-CE2 3.95Å; L950-F1164 HydrophobicContact CB-CZ 3.97Å; L950-V1170 HydrophobicContact CB-CG1 4.47Å; L950-V1170 HydrophobicContact CD2-CG1 4.05Å; L950-V1170 WeakPolarHBondContact O-CG1 3.34Å; L950-A1171 HydrophobicContact CD2-CB 4.27Å |
| 951 | Q | 92.5 | Very high | 93.5 | Very high | 59 Ų | 59 | 15.2 Ų | 15.2 | 28% | 0.276 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -65.8 | -49.3 | 175.3 | 177.1 | 176.5 | -32.7 | 0 | 0 | 111.2 | Q947 L948 A954 V955 | Q947-Q951 WeakPolarHBondContact O-CB 3.43Å; Q947-Q951 PolarHBondContact O-N 3.35Å; L948-Q951 PolarHBondContact O-N 3.05Å; L948-Q951 VanDerWaalsContact O-N 3.15Å; Q951-A954 WeakPolarHBondContact O-CB 3.38Å; Q951-A954 PolarHBondContact O-N 2.71Å; Q951-V955 PolarHBondContact O-N 3.14Å |
| 952 | D | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 178.9 | -81.9 | 20.6 | 0 | 0 | 0 | 111.3 | L948 A954 V955 F956 F983 N1028 S1029 I1090 | L948-D952 WeakPolarHBondContact O-CB 3.43Å; L948-D952 PolarHBondContact O-N 2.86Å; D952-A954 VanDerWaalsContact C-N 3.32Å; D952-A954 PolarHBondContact O-N 2.91Å; D952-V955 PolarHBondContact O-N 2.88Å; D952-F956 WeakPolarHBondContact O-CB 3.26Å; D952-F956 PolarHBondContact O-N 3.24Å; D952-F983 HydrophobicContact CB-CE2 4.41Å; D952-N1028 PolarHBondContact OD2-ND2 3.11Å; D952-S1029 PolarHBondContact OD2-OG 3.29Å; D952-I1090 HydrophobicContact CB-CD1 3.89Å |
| 953 | F | 95.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 2% | 0.022 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.9 | -37.8 | 176.9 | -170.1 | -110.4 | 0 | 0 | 0 | 112.6 | T949 V955 F956 A957 P1088 I1090 A1135 A1137 Y1139 V1170 | T949-F953 WeakPolarHBondContact O-CB 3.39Å; T949-F953 PolarHBondContact O-N 3.05Å; F953-V955 PolarHBondContact O-N 3.07Å; F953-F956 HydrophobicContact CD2-CD1 4.16Å; F953-F956 HydrophobicContact CE2-CD1 4.34Å; F953-F956 PolarHBondContact O-N 3.35Å; F953-A957 HydrophobicContact CD1-CB 4.24Å; F953-A957 HydrophobicContact CE1-CB 3.89Å; F953-A957 HydrophobicContact CE2-CB 4.29Å; F953-A957 HydrophobicContact CZ-CB 3.91Å; F953-A957 WeakPolarHBondContact O-CB 3.47Å; F953-A957 PolarHBondContact O-N 3.27Å; F953-P1088 HydrophobicContact CE2-CB 3.75Å; F953-P1088 HydrophobicContact CZ-CB 4.02Å; F953-I1090 HydrophobicContact CB-CD1 3.99Å; F953-I1090 HydrophobicContact CB-CG1 4.43Å; F953-I1090 HydrophobicContact CD2-CG1 4.09Å; F953-A1135 HydrophobicContact CE2-CB 4.12Å; F953-A1135 HydrophobicContact CZ-CB 4.38Å; F953-A1137 WeakPolarHBondContact CZ-O 3.1Å; F953-Y1139 HydrophobicContact CB-CD2 3.53Å; F953-Y1139 HydrophobicContact CB-CE2 3.68Å; F953-Y1139 AromaticContact CD1-CD2 3.66Å; F953-Y1139 HydrophobicContact CD1-CD2 3.66Å; F953-Y1139 HydrophobicContact CD1-CE2 4.33Å; F953-Y1139 AromaticContact CD2-CD2 3.5Å; F953-Y1139 HydrophobicContact CD2-CD2 3.5Å; F953-Y1139 AromaticContact CD2-CE2 3.3Å; F953-Y1139 HydrophobicContact CD2-CE2 3.3Å; F953-Y1139 HydrophobicContact CE1-CD2 4.23Å; F953-Y1139 HydrophobicContact CE2-CD2 4.05Å; F953-Y1139 AromaticContact CE2-CE2 3.94Å; F953-Y1139 HydrophobicContact CE2-CE2 3.94Å; F953-Y1139 AromaticContact CG-CD2 3.27Å; F953-Y1139 HydrophobicContact CG-CD2 3.27Å; F953-Y1139 AromaticContact CG-CE2 3.52Å; F953-Y1139 HydrophobicContact CG-CE2 3.52Å; F953-Y1139 HydrophobicContact CZ-CD2 4.4Å; F953-V1170 HydrophobicContact CB-CG1 4.45Å; F953-V1170 HydrophobicContact CD1-CG1 3.86Å |
| 954 | A | 91.8 | Very high | 94 | Very high | 25 Ų | 25 | 13.7 Ų | 13.7 | 21% | 0.207 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.9 | -37.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L950 Q951 D952 S958 F1164 V1170 | L950-A954 VanDerWaalsContact O-CB 3.26Å; L950-A954 WeakPolarHBondContact O-CB 3.43Å; L950-A954 PolarHBondContact O-N 2.86Å; Q951-A954 WeakPolarHBondContact O-CB 3.38Å; Q951-A954 PolarHBondContact O-N 2.71Å; D952-A954 VanDerWaalsContact C-N 3.32Å; D952-A954 PolarHBondContact O-N 2.91Å; A954-S958 WeakPolarHBondContact O-CB 3.2Å; A954-S958 PolarHBondContact O-OG 2.77Å; A954-F1164 HydrophobicContact CB-CD1 4Å; A954-F1164 HydrophobicContact CB-CE1 4.04Å; A954-F1164 HydrophobicContact CB-CG 4.37Å; A954-F1164 HydrophobicContact CB-CZ 4.46Å; A954-V1170 HydrophobicContact CB-CG1 4.06Å; A954-V1170 HydrophobicContact CB-CG2 3.7Å |
| 955 | V | 94.6 | Very high | 94 | Very high | 11 Ų | 11 | 13.7 Ų | 13.7 | 7% | 0.067 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -75.2 | -51.1 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | Q951 D952 F953 A957 S958 I959 K979 Q982 F983 L986 | Q951-V955 PolarHBondContact O-N 3.14Å; D952-V955 PolarHBondContact O-N 2.88Å; F953-V955 PolarHBondContact O-N 3.07Å; V955-A957 PolarHBondContact O-N 3.45Å; V955-S958 WeakPolarHBondContact O-CA 3.26Å; V955-S958 WeakPolarHBondContact O-CB 3.45Å; V955-S958 PolarHBondContact O-N 3.39Å; V955-S958 PolarHBondContact O-OG 3.46Å; V955-I959 PolarHBondContact O-N 3.08Å; V955-K979 WeakPolarHBondContact CG1-O 3.46Å; V955-Q982 HydrophobicContact CG1-CB 3.92Å; V955-Q982 HydrophobicContact CG1-CG 3.84Å; V955-Q982 HydrophobicContact CG2-CG 4.15Å; V955-F983 HydrophobicContact CG1-CB 3.88Å; V955-L986 HydrophobicContact CB-CD1 3.99Å; V955-L986 HydrophobicContact CG1-CD1 4.44Å; V955-L986 HydrophobicContact CG2-CD1 3.65Å |
| 956 | F | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 0% | 0.004 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.3 | -47.6 | -178.5 | 176.6 | -120.5 | 0 | 0 | 0 | 113 | D952 F953 S958 I959 F983 I1090 P1091 V1131 L1134 A1135 | D952-F956 WeakPolarHBondContact O-CB 3.26Å; D952-F956 PolarHBondContact O-N 3.24Å; F953-F956 HydrophobicContact CD2-CD1 4.16Å; F953-F956 HydrophobicContact CE2-CD1 4.34Å; F953-F956 PolarHBondContact O-N 3.35Å; F956-S958 PolarHBondContact O-N 3.34Å; F956-I959 HydrophobicContact CD2-CD1 4.04Å; F956-I959 WeakPolarHBondContact O-CB 3.47Å; F956-I959 WeakPolarHBondContact O-CG1 3.26Å; F956-I959 PolarHBondContact O-N 3.17Å; F956-I959 VanDerWaalsContact O-N 3.15Å; F956-F983 HydrophobicContact CB-CD2 4.19Å; F956-F983 HydrophobicContact CB-CE2 3.88Å; F956-F983 HydrophobicContact CB-CZ 4.2Å; F956-F983 HydrophobicContact CD2-CE1 4.07Å; F956-F983 HydrophobicContact CD2-CZ 4.12Å; F956-F983 HydrophobicContact CG-CZ 4.35Å; F956-I1090 HydrophobicContact CD1-CG1 4.47Å; F956-P1091 HydrophobicContact CE2-CG 4.09Å; F956-P1091 VanDerWaalsContact CZ-CD 3.48Å; F956-P1091 HydrophobicContact CZ-CG 3.83Å; F956-V1131 HydrophobicContact CE2-CG1 3.66Å; F956-V1131 HydrophobicContact CZ-CG1 3.71Å; F956-L1134 HydrophobicContact CE1-CB 4.32Å; F956-L1134 HydrophobicContact CZ-CB 4.39Å; F956-A1135 HydrophobicContact CD1-CB 3.99Å; F956-A1135 HydrophobicContact CE1-CB 3.7Å; F956-A1135 HydrophobicContact CZ-CB 4.4Å |
| 957 | A | 93.3 | Very high | 94.1 | Very high | 50 Ų | 50 | 14.8 Ų | 14.8 | 41% | 0.413 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -12.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | F953 V955 A1135 | F953-A957 HydrophobicContact CD1-CB 4.24Å; F953-A957 HydrophobicContact CE1-CB 3.89Å; F953-A957 HydrophobicContact CE2-CB 4.29Å; F953-A957 HydrophobicContact CZ-CB 3.91Å; F953-A957 WeakPolarHBondContact O-CB 3.47Å; F953-A957 PolarHBondContact O-N 3.27Å; V955-A957 PolarHBondContact O-N 3.45Å; A957-A1135 HydrophobicContact CB-CB 4.21Å |
| 958 | S | 92.2 | Very high | 94.2 | Very high | 35 Ų | 35 | 15.4 Ų | 15.4 | 25% | 0.245 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -7.6 | 174.7 | 77 | 0 | 0 | 0 | 0 | 113.8 | A954 V955 F956 E960 K979 | A954-S958 WeakPolarHBondContact O-CB 3.2Å; A954-S958 PolarHBondContact O-OG 2.77Å; V955-S958 WeakPolarHBondContact O-CA 3.26Å; V955-S958 WeakPolarHBondContact O-CB 3.45Å; V955-S958 PolarHBondContact O-N 3.39Å; V955-S958 PolarHBondContact O-OG 3.46Å; F956-S958 PolarHBondContact O-N 3.34Å; S958-E960 PolarHBondContact O-N 2.62Å; S958-K979 WeakPolarHBondContact OG-CD 3.45Å |
| 959 | I | 94 | Very high | 94.2 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.026 | 10% | 0.099 | C | C | . | . | trans | -69.4 | 123.8 | 176 | -56.7 | 174.2 | 0 | 0 | 0 | 108.6 | V955 F956 E963 Y964 K979 L980 F983 | V955-I959 PolarHBondContact O-N 3.08Å; F956-I959 HydrophobicContact CD2-CD1 4.04Å; F956-I959 WeakPolarHBondContact O-CB 3.47Å; F956-I959 WeakPolarHBondContact O-CG1 3.26Å; F956-I959 PolarHBondContact O-N 3.17Å; F956-I959 VanDerWaalsContact O-N 3.15Å; I959-E963 HydrophobicContact CG2-CB 4.09Å; I959-Y964 HydrophobicContact CB-CE2 4.37Å; I959-Y964 HydrophobicContact CG2-CD2 4.15Å; I959-Y964 HydrophobicContact CG2-CE2 3.45Å; I959-Y964 VanDerWaalsContact CG2-CE2 3.45Å; I959-K979 HydrophobicContact CB-CB 4.44Å; I959-K979 HydrophobicContact CG1-CB 3.91Å; I959-L980 HydrophobicContact CD1-CD1 4.09Å; I959-L980 HydrophobicContact CG2-CB 4.21Å; I959-L980 HydrophobicContact CG2-CD1 4.5Å; I959-F983 HydrophobicContact CD1-CB 3.9Å; I959-F983 HydrophobicContact CD1-CD1 4.03Å; I959-F983 HydrophobicContact CD1-CG 4.07Å | ||
| 960 | E | 91.9 | Very high | 94 | Very high | 47 Ų | 47 | 22.8 Ų | 22.8 | 22% | 0.22 | 13% | 0.125 | C | C | . | . | trans | -81 | 145.8 | 176.8 | -61.3 | -80.3 | 176.1 | 0 | 0 | 110.5 | N528 R568 S958 T962 E963 | N528-E960 WeakPolarHBondContact ND2-CG 3.37Å; R568-E960 IonicContact CZ-OE1 2.83Å; R568-E960 IonicContact NH2-OE1 3.58Å; R568-E960 PolarHBondContact NH2-OE1 3.08Å; S958-E960 PolarHBondContact O-N 2.62Å; E960-T962 PolarHBondContact O-N 2.96Å; E960-E963 HydrophobicContact CB-CG 4.13Å; E960-E963 PolarHBondContact N-OE1 3.19Å; E960-E963 WeakPolarHBondContact O-CB 3.44Å; E960-E963 PolarHBondContact O-N 2.98Å | ||
| 961 | P | 94.7 | Very high | 93.8 | Very high | 27 Ų | 27 | 24.7 Ų | 24.7 | 18% | 0.175 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -53 | -32.7 | 177.1 | -26.7 | 33.5 | 0 | 0 | 0 | 113.5 | L486 E963 Y964 I1128 M1132 | L486-P961 HydrophobicContact CD1-CB 3.78Å; P961-E963 VanDerWaalsContact C-N 3.31Å; P961-E963 PolarHBondContact O-N 2.69Å; P961-Y964 PolarHBondContact O-N 2.9Å; P961-I1128 HydrophobicContact CB-CG2 3.88Å; P961-M1132 HydrophobicContact CG-CG 4.05Å; P961-M1132 HydrophobicContact CG-SD 3.93Å |
| 962 | T | 93.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.3 | -27.5 | 179.7 | 56 | 0 | 0 | 0 | 0 | 113 | L486 H526 E960 Y964 V965 D966 | L486-T962 HydrophobicContact CD1-CG2 4.12Å; H526-T962 HydrophobicContact CB-CG2 4.44Å; H526-T962 WeakPolarHBondContact ND1-CG2 3.43Å; E960-T962 PolarHBondContact O-N 2.96Å; T962-Y964 VanDerWaalsContact C-N 3.28Å; T962-Y964 PolarHBondContact O-N 3.16Å; T962-V965 PolarHBondContact O-N 2.68Å; T962-D966 VanDerWaalsContact O-CG 3.28Å; T962-D966 PolarHBondContact O-N 3.04Å |
| 963 | E | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65 | -34.2 | 178.8 | -64.8 | -171.7 | -136.6 | 0 | 0 | 111.7 | I959 E960 P961 N967 Y975 W977 K979 L980 | I959-E963 HydrophobicContact CG2-CB 4.09Å; E960-E963 HydrophobicContact CB-CG 4.13Å; E960-E963 PolarHBondContact N-OE1 3.19Å; E960-E963 WeakPolarHBondContact O-CB 3.44Å; E960-E963 PolarHBondContact O-N 2.98Å; P961-E963 VanDerWaalsContact C-N 3.31Å; P961-E963 PolarHBondContact O-N 2.69Å; E963-N967 WeakPolarHBondContact O-CB 3.37Å; E963-N967 PolarHBondContact O-N 2.79Å; E963-Y975 HydrophobicContact CG-CD1 4.22Å; E963-Y975 HydrophobicContact CG-CE1 3.64Å; E963-Y975 WeakPolarHBondContact OE1-CE1 3.42Å; E963-Y975 PolarHBondContact OE1-OH 3.45Å; E963-Y975 VanDerWaalsContact OE1-OH 3.14Å; E963-W977 HydrophobicContact CB-CB 3.77Å; E963-W977 HydrophobicContact CG-CB 4.25Å; E963-W977 VanDerWaalsContact OE2-CA 3.29Å; E963-W977 WeakPolarHBondContact OE2-CA 3.4Å; E963-K979 WeakPolarHBondContact OE2-CA 3.35Å; E963-K979 WeakPolarHBondContact OE2-CB 3.28Å; E963-K979 PolarHBondContact OE2-N 3.33Å; E963-L980 HydrophobicContact CB-CB 4.3Å; E963-L980 PolarHBondContact OE2-N 3.47Å |
| 964 | Y | 96.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 174.1 | -65.8 | -78.6 | 0 | 0 | 0 | 111.5 | I959 P961 T962 L968 L980 L1096 L1100 I1128 M1132 | I959-Y964 HydrophobicContact CB-CE2 4.37Å; I959-Y964 HydrophobicContact CG2-CD2 4.15Å; I959-Y964 HydrophobicContact CG2-CE2 3.45Å; I959-Y964 VanDerWaalsContact CG2-CE2 3.45Å; P961-Y964 PolarHBondContact O-N 2.9Å; T962-Y964 VanDerWaalsContact C-N 3.28Å; T962-Y964 PolarHBondContact O-N 3.16Å; Y964-L968 WeakPolarHBondContact O-CB 3.5Å; Y964-L968 PolarHBondContact O-N 3.13Å; Y964-L980 HydrophobicContact CD1-CD1 4.15Å; Y964-L980 HydrophobicContact CD1-CD2 4.15Å; Y964-L980 HydrophobicContact CE1-CD1 3.65Å; Y964-L980 HydrophobicContact CE1-CD2 4.47Å; Y964-L1096 HydrophobicContact CD1-CD2 4.39Å; Y964-L1096 HydrophobicContact CE1-CD2 3.6Å; Y964-L1100 HydrophobicContact CD1-CD1 4.01Å; Y964-I1128 HydrophobicContact CD2-CG2 4.08Å; Y964-I1128 HydrophobicContact CG-CG1 4.31Å; Y964-M1132 HydrophobicContact CE2-CE 3.5Å; Y964-M1132 VanDerWaalsContact CE2-CE 3.5Å; Y964-M1132 HydrophobicContact CE2-SD 4.45Å |
| 965 | V | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.8 | -48.9 | 179.2 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | L486 M487 R489 T490 T962 N967 L968 F969 L971 I1128 | L486-V965 HydrophobicContact CD1-CG2 3.94Å; L486-V965 HydrophobicContact CG-CG2 4.09Å; M487-V965 HydrophobicContact CE-CG1 4.02Å; M487-V965 HydrophobicContact CE-CG2 4.4Å; M487-V965 HydrophobicContact SD-CG1 4.11Å; M487-V965 HydrophobicContact SD-CG2 3.59Å; M487-V965 VanDerWaalsContact SD-CG2 3.59Å; R489-V965 HydrophobicContact CG-CG1 3.89Å; T490-V965 HydrophobicContact CG2-CG1 3.57Å; T962-V965 PolarHBondContact O-N 2.68Å; V965-N967 VanDerWaalsContact C-N 3.32Å; V965-N967 PolarHBondContact O-N 3.32Å; V965-L968 PolarHBondContact O-N 3.29Å; V965-F969 HydrophobicContact CG1-CD2 4.03Å; V965-F969 HydrophobicContact CG1-CE2 4.39Å; V965-F969 WeakPolarHBondContact O-CD2 3.4Å; V965-F969 PolarHBondContact O-N 2.66Å; V965-L971 HydrophobicContact CG1-CD1 4.41Å; V965-I1128 HydrophobicContact CG2-CD1 3.64Å |
| 966 | D | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -41.3 | 179.9 | -66.3 | -8.5 | 0 | 0 | 0 | 111.2 | R489 T962 K970 L971 S973 W977 | R489-D966 WeakPolarHBondContact CD-OD1 3.37Å; R489-D966 IonicContact CZ-OD1 3.73Å; R489-D966 IonicContact NE-OD1 3.86Å; R489-D966 IonicContact NH1-OD1 3.51Å; R489-D966 PolarHBondContact NH1-OD1 2.84Å; R489-D966 IonicContact NH1-OD2 2.8Å; R489-D966 PolarHBondContact NH1-OD2 3.12Å; T962-D966 VanDerWaalsContact O-CG 3.28Å; T962-D966 PolarHBondContact O-N 3.04Å; D966-K970 CarbonylContact O-C 3.57Å; D966-K970 VanDerWaalsContact O-CA 3.27Å; D966-K970 WeakPolarHBondContact O-CA 3.43Å; D966-K970 PolarHBondContact O-N 3.16Å; D966-L971 HydrophobicContact CB-CB 4.45Å; D966-L971 PolarHBondContact O-N 3.19Å; D966-S973 WeakPolarHBondContact OD2-CB 3.19Å; D966-S973 PolarHBondContact OD2-OG 2.69Å; D966-W977 HydrophobicContact CB-CE3 3.92Å; D966-W977 HydrophobicContact CB-CZ3 4.44Å |
| 967 | N | 94.5 | Very high | 90.5 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.9 | -37.7 | 177.2 | -175.7 | -105.2 | 0 | 0 | 0 | 113.4 | E963 V965 K970 W977 L980 | E963-N967 WeakPolarHBondContact O-CB 3.37Å; E963-N967 PolarHBondContact O-N 2.79Å; V965-N967 VanDerWaalsContact C-N 3.32Å; V965-N967 PolarHBondContact O-N 3.32Å; N967-K970 WeakPolarHBondContact O-CD 3.26Å; N967-K970 WeakPolarHBondContact O-CE 3.21Å; N967-K970 PolarHBondContact O-NZ 3.04Å; N967-W977 HydrophobicContact CB-CB 4.21Å; N967-W977 HydrophobicContact CB-CD2 3.91Å; N967-W977 HydrophobicContact CB-CE3 4.3Å; N967-W977 HydrophobicContact CB-CG 3.84Å; N967-W977 VanDerWaalsContact ND2-CD1 3.35Å; N967-W977 VanDerWaalsContact ND2-CE2 3.34Å; N967-W977 PolarHBondContact ND2-NE1 3.24Å; N967-W977 VanDerWaalsContact ND2-NE1 3.11Å; N967-L980 HydrophobicContact CB-CD2 3.65Å |
| 968 | L | 94.5 | Very high | 90.5 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.5 | -47.3 | -178 | -177.3 | 62.5 | 0 | 0 | 0 | 111.3 | Y964 V965 K970 L1100 H1104 I1124 | Y964-L968 WeakPolarHBondContact O-CB 3.5Å; Y964-L968 PolarHBondContact O-N 3.13Å; V965-L968 PolarHBondContact O-N 3.29Å; L968-K970 VanDerWaalsContact C-N 3.34Å; L968-L1100 HydrophobicContact CD1-CB 4.08Å; L968-L1100 HydrophobicContact CD2-CB 4.14Å; L968-H1104 HydrophobicContact CD1-CB 3.72Å; L968-H1104 HydrophobicContact CD2-CB 4.06Å; L968-H1104 HydrophobicContact CG-CB 3.94Å; L968-I1124 HydrophobicContact CD2-CD1 3.91Å; L968-I1124 HydrophobicContact CD2-CG1 4.3Å; L968-I1124 HydrophobicContact CD2-CG2 3.87Å |
| 969 | F | 93.7 | Very high | 90.5 | Very high | 32 Ų | 32 | 49.5 Ų | 49.5 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.8 | -179.6 | -73.2 | -100.7 | 0 | 0 | 0 | 113.5 | M487 T490 V965 L971 H1104 T1109 L1121 I1124 | M487-F969 HydrophobicContact CE-CE2 3.84Å; M487-F969 HydrophobicContact CE-CZ 4.21Å; T490-F969 HydrophobicContact CG2-CD1 3.93Å; T490-F969 HydrophobicContact CG2-CD2 3.74Å; T490-F969 HydrophobicContact CG2-CE1 3.91Å; T490-F969 HydrophobicContact CG2-CE2 3.73Å; T490-F969 HydrophobicContact CG2-CG 3.85Å; T490-F969 HydrophobicContact CG2-CZ 3.81Å; V965-F969 HydrophobicContact CG1-CD2 4.03Å; V965-F969 HydrophobicContact CG1-CE2 4.39Å; V965-F969 WeakPolarHBondContact O-CD2 3.4Å; V965-F969 PolarHBondContact O-N 2.66Å; F969-L971 HydrophobicContact CB-CD1 4.22Å; F969-L971 HydrophobicContact CB-CD2 3.69Å; F969-L971 HydrophobicContact CB-CG 3.68Å; F969-L971 PolarHBondContact O-N 3.3Å; F969-H1104 AromaticContact CD1-CE1 3.49Å; F969-H1104 VanDerWaalsContact CD1-CE1 3.49Å; F969-H1104 WeakPolarHBondContact CD1-CE1 3.42Å; F969-H1104 AromaticContact CD1-ND1 3.97Å; F969-H1104 AromaticContact CE1-CE1 3.48Å; F969-H1104 VanDerWaalsContact CE1-CE1 3.48Å; F969-H1104 WeakPolarHBondContact CE1-CE1 3.24Å; F969-H1104 AromaticContact CE1-ND1 3.61Å; F969-H1104 AromaticContact CE2-ND1 3.87Å; F969-H1104 AromaticContact CG-CE1 3.94Å; F969-H1104 AromaticContact CZ-CE1 3.91Å; F969-H1104 AromaticContact CZ-ND1 3.55Å; F969-T1109 HydrophobicContact CE1-CG2 4.06Å; F969-L1121 HydrophobicContact CZ-CD2 3.92Å; F969-I1124 HydrophobicContact CE2-CD1 3.78Å; F969-I1124 HydrophobicContact CZ-CD1 3.81Å |
| 970 | K | 90.9 | Very high | 90.5 | Very high | 129 Ų | 129 | 49.4 Ų | 49.4 | 56% | 0.561 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 43 | -176.7 | -53.8 | -60.2 | 176.1 | -156.2 | 0 | 112.5 | D966 N967 L968 | D966-K970 CarbonylContact O-C 3.57Å; D966-K970 VanDerWaalsContact O-CA 3.27Å; D966-K970 WeakPolarHBondContact O-CA 3.43Å; D966-K970 PolarHBondContact O-N 3.16Å; N967-K970 WeakPolarHBondContact O-CD 3.26Å; N967-K970 WeakPolarHBondContact O-CE 3.21Å; N967-K970 PolarHBondContact O-NZ 3.04Å; L968-K970 VanDerWaalsContact C-N 3.34Å |
| 971 | L | 90.1 | Very high | 90.6 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | trans | -73 | 136.7 | -177.2 | -55.9 | 179.4 | 0 | 0 | 0 | 110.4 | R489 T490 V965 D966 F969 S973 | R489-L971 HydrophobicContact CB-CD1 4.23Å; R489-L971 HydrophobicContact CG-CD1 3.76Å; T490-L971 HydrophobicContact CG2-CD1 4.47Å; V965-L971 HydrophobicContact CG1-CD1 4.41Å; D966-L971 HydrophobicContact CB-CB 4.45Å; D966-L971 PolarHBondContact O-N 3.19Å; F969-L971 HydrophobicContact CB-CD1 4.22Å; F969-L971 HydrophobicContact CB-CD2 3.69Å; F969-L971 HydrophobicContact CB-CG 3.68Å; F969-L971 PolarHBondContact O-N 3.3Å; L971-S973 PolarHBondContact O-N 2.69Å | ||
| 972 | N | 79.6 | Confident | 90.6 | Very high | 174 Ų | 174 | 52.4 Ų | 52.4 | 93% | 0.93 | 25% | 0.251 | S | S | * | . | trans | -78.2 | 54.2 | 173.2 | -68.1 | -38.1 | 0 | 0 | 0 | 111.2 | ||||
| 973 | S | 78.2 | Confident | 90.7 | Very high | 36 Ų | 36 | 52.4 Ų | 52.4 | 25% | 0.252 | 25% | 0.25 | S | S | . | . | trans | -72.2 | 152 | -178.4 | 86.8 | 0 | 0 | 0 | 0 | 111.2 | D966 L971 Y975 G976 | D966-S973 WeakPolarHBondContact OD2-CB 3.19Å; D966-S973 PolarHBondContact OD2-OG 2.69Å; L971-S973 PolarHBondContact O-N 2.69Å; S973-Y975 PolarHBondContact O-N 3.4Å; S973-G976 WeakPolarHBondContact OG-CA 3.5Å; S973-G976 PolarHBondContact OG-N 3.07Å | ||
| 974 | R | 77.6 | Confident | 90.6 | Very high | 224 Ų | 224 | 53.7 Ų | 53.7 | 85% | 0.845 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -62.7 | -25.8 | 179 | -67.3 | -116.9 | -176.1 | -147.3 | -0.8 | 113.1 | ||
| 975 | Y | 80.4 | Confident | 90.5 | Very high | 55 Ų | 55 | 58.6 Ų | 58.6 | 22% | 0.216 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -96.4 | -35.7 | -177.4 | 179.7 | -107.6 | 0 | 0 | 0 | 112.3 | R568 E963 S973 P978 | R568-Y975 VanDerWaalsContact NH1-CE2 3.25Å; R568-Y975 PolarHBondContact NH1-OH 3.32Å; R568-Y975 PolarHBondContact NH2-OH 2.68Å; E963-Y975 HydrophobicContact CG-CD1 4.22Å; E963-Y975 HydrophobicContact CG-CE1 3.64Å; E963-Y975 WeakPolarHBondContact OE1-CE1 3.42Å; E963-Y975 PolarHBondContact OE1-OH 3.45Å; E963-Y975 VanDerWaalsContact OE1-OH 3.14Å; S973-Y975 PolarHBondContact O-N 3.4Å; Y975-P978 HydrophobicContact CE1-CG 4.25Å; Y975-P978 HydrophobicContact CE2-CG 4.28Å; Y975-P978 WeakPolarHBondContact O-CD 3.39Å |
| 976 | G | 87.4 | Confident | 90.3 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | trans | 68.2 | -147.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S973 P978 | S973-G976 WeakPolarHBondContact OG-CA 3.5Å; S973-G976 PolarHBondContact OG-N 3.07Å; G976-P978 VanDerWaalsContact C-CD 3.46Å | ||
| 977 | W | 93.2 | Very high | 90.2 | Very high | 74 Ų | 74 | 59.7 Ų | 59.7 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | trans | -132.3 | 51.6 | -179.7 | 56.8 | 86.4 | 0 | 0 | 0 | 113.5 | E963 D966 N967 K979 L980 D981 | E963-W977 HydrophobicContact CB-CB 3.77Å; E963-W977 HydrophobicContact CG-CB 4.25Å; E963-W977 VanDerWaalsContact OE2-CA 3.29Å; E963-W977 WeakPolarHBondContact OE2-CA 3.4Å; D966-W977 HydrophobicContact CB-CE3 3.92Å; D966-W977 HydrophobicContact CB-CZ3 4.44Å; N967-W977 HydrophobicContact CB-CB 4.21Å; N967-W977 HydrophobicContact CB-CD2 3.91Å; N967-W977 HydrophobicContact CB-CE3 4.3Å; N967-W977 HydrophobicContact CB-CG 3.84Å; N967-W977 VanDerWaalsContact ND2-CD1 3.35Å; N967-W977 VanDerWaalsContact ND2-CE2 3.34Å; N967-W977 PolarHBondContact ND2-NE1 3.24Å; N967-W977 VanDerWaalsContact ND2-NE1 3.11Å; W977-K979 VanDerWaalsContact C-N 3.34Å; W977-K979 PolarHBondContact O-N 2.74Å; W977-L980 HydrophobicContact CB-CB 4.14Å; W977-L980 HydrophobicContact CB-CD2 4.44Å; W977-L980 PolarHBondContact O-N 2.83Å; W977-D981 WeakPolarHBondContact O-CB 3.47Å; W977-D981 PolarHBondContact O-N 3.23Å | ||
| 978 | P | 92 | Very high | 90 | Very high | 64 Ų | 64 | 61.2 Ų | 61.2 | 42% | 0.416 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.5 | -32.4 | -170.6 | 27.6 | -36.3 | 0 | 0 | 0 | 114 | Y975 G976 Q982 | Y975-P978 HydrophobicContact CE1-CG 4.25Å; Y975-P978 HydrophobicContact CE2-CG 4.28Å; Y975-P978 WeakPolarHBondContact O-CD 3.39Å; G976-P978 VanDerWaalsContact C-CD 3.46Å; P978-Q982 VanDerWaalsContact O-CB 3.31Å; P978-Q982 WeakPolarHBondContact O-CB 3.39Å; P978-Q982 PolarHBondContact O-N 3.27Å |
| 979 | K | 92.3 | Very high | 90 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -80.9 | -34.9 | -179.4 | -65.6 | -57.6 | -168.2 | 171.4 | 0 | 111.6 | V955 S958 I959 E963 W977 D981 Q982 F983 | V955-K979 WeakPolarHBondContact CG1-O 3.46Å; S958-K979 WeakPolarHBondContact OG-CD 3.45Å; I959-K979 HydrophobicContact CB-CB 4.44Å; I959-K979 HydrophobicContact CG1-CB 3.91Å; E963-K979 WeakPolarHBondContact OE2-CA 3.35Å; E963-K979 WeakPolarHBondContact OE2-CB 3.28Å; E963-K979 PolarHBondContact OE2-N 3.33Å; W977-K979 VanDerWaalsContact C-N 3.34Å; W977-K979 PolarHBondContact O-N 2.74Å; K979-D981 VanDerWaalsContact C-N 3.33Å; K979-Q982 PolarHBondContact O-N 2.89Å; K979-F983 WeakPolarHBondContact O-CB 3.39Å; K979-F983 PolarHBondContact O-N 3.4Å |
| 980 | L | 94.2 | Very high | 90 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 171.2 | -174.6 | 60.9 | 0 | 0 | 0 | 111.5 | I959 E963 Y964 N967 W977 F983 E984 L1093 | I959-L980 HydrophobicContact CD1-CD1 4.09Å; I959-L980 HydrophobicContact CG2-CB 4.21Å; I959-L980 HydrophobicContact CG2-CD1 4.5Å; E963-L980 HydrophobicContact CB-CB 4.3Å; E963-L980 PolarHBondContact OE2-N 3.47Å; Y964-L980 HydrophobicContact CD1-CD1 4.15Å; Y964-L980 HydrophobicContact CD1-CD2 4.15Å; Y964-L980 HydrophobicContact CE1-CD1 3.65Å; Y964-L980 HydrophobicContact CE1-CD2 4.47Å; N967-L980 HydrophobicContact CB-CD2 3.65Å; W977-L980 HydrophobicContact CB-CB 4.14Å; W977-L980 HydrophobicContact CB-CD2 4.44Å; W977-L980 PolarHBondContact O-N 2.83Å; L980-F983 PolarHBondContact O-N 2.95Å; L980-E984 PolarHBondContact O-N 3.24Å; L980-E984 VanDerWaalsContact O-N 3.08Å; L980-L1093 HydrophobicContact CD1-CD1 3.89Å |
| 981 | D | 94 | Very high | 90.2 | Very high | 65 Ų | 65 | 58.8 Ų | 58.8 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 174.7 | -170.7 | 62.7 | 0 | 0 | 0 | 111.6 | W977 K979 F983 E984 Q985 | W977-D981 WeakPolarHBondContact O-CB 3.47Å; W977-D981 PolarHBondContact O-N 3.23Å; K979-D981 VanDerWaalsContact C-N 3.33Å; D981-F983 VanDerWaalsContact C-N 3.27Å; D981-F983 PolarHBondContact O-N 3.39Å; D981-E984 WeakPolarHBondContact O-CB 3.33Å; D981-E984 PolarHBondContact O-N 3.44Å; D981-E984 VanDerWaalsContact O-N 3.15Å; D981-Q985 WeakPolarHBondContact O-CG 3.43Å; D981-Q985 PolarHBondContact O-N 2.95Å; D981-Q985 PolarHBondContact OD2-NE2 3.43Å |
| 982 | Q | 94.6 | Very high | 90.5 | Very high | 73 Ų | 73 | 59.1 Ų | 59.1 | 34% | 0.341 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.8 | -40.5 | 173.6 | -173.3 | 176.2 | 20.5 | 0 | 0 | 112.1 | V955 P978 K979 Q985 L986 | V955-Q982 HydrophobicContact CG1-CB 3.92Å; V955-Q982 HydrophobicContact CG1-CG 3.84Å; V955-Q982 HydrophobicContact CG2-CG 4.15Å; P978-Q982 VanDerWaalsContact O-CB 3.31Å; P978-Q982 WeakPolarHBondContact O-CB 3.39Å; P978-Q982 PolarHBondContact O-N 3.27Å; K979-Q982 PolarHBondContact O-N 2.89Å; Q982-Q985 PolarHBondContact O-N 2.87Å; Q982-L986 WeakPolarHBondContact O-CG 2.96Å; Q982-L986 PolarHBondContact O-N 3.39Å; Q982-L986 VanDerWaalsContact O-N 3.09Å |
| 983 | F | 95.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.4 | -38.9 | 177.9 | -171.9 | -124.3 | 0 | 0 | 0 | 112.2 | D952 V955 F956 I959 K979 L980 D981 L986 V987 N1028 I1090 L1093 | D952-F983 HydrophobicContact CB-CE2 4.41Å; V955-F983 HydrophobicContact CG1-CB 3.88Å; F956-F983 HydrophobicContact CB-CD2 4.19Å; F956-F983 HydrophobicContact CB-CE2 3.88Å; F956-F983 HydrophobicContact CB-CZ 4.2Å; F956-F983 HydrophobicContact CD2-CE1 4.07Å; F956-F983 HydrophobicContact CD2-CZ 4.12Å; F956-F983 HydrophobicContact CG-CZ 4.35Å; I959-F983 HydrophobicContact CD1-CB 3.9Å; I959-F983 HydrophobicContact CD1-CD1 4.03Å; I959-F983 HydrophobicContact CD1-CG 4.07Å; K979-F983 WeakPolarHBondContact O-CB 3.39Å; K979-F983 PolarHBondContact O-N 3.4Å; L980-F983 PolarHBondContact O-N 2.95Å; D981-F983 VanDerWaalsContact C-N 3.27Å; D981-F983 PolarHBondContact O-N 3.39Å; F983-L986 PolarHBondContact O-N 3.42Å; F983-V987 PolarHBondContact O-N 3.36Å; F983-N1028 VanDerWaalsContact CE2-ND2 3.25Å; F983-N1028 WeakPolarHBondContact CE2-ND2 3.3Å; F983-N1028 HydrophobicContact CZ-CB 4.22Å; F983-N1028 WeakPolarHBondContact CZ-ND2 3.35Å; F983-I1090 HydrophobicContact CE2-CG2 3.98Å; F983-I1090 HydrophobicContact CZ-CG2 3.61Å; F983-L1093 HydrophobicContact CD1-CB 4.18Å; F983-L1093 HydrophobicContact CD1-CD1 3.99Å; F983-L1093 HydrophobicContact CD1-CD2 3.87Å; F983-L1093 HydrophobicContact CD1-CG 4.23Å; F983-L1093 HydrophobicContact CE1-CB 3.85Å; F983-L1093 HydrophobicContact CE1-CD1 4.22Å; F983-L1093 HydrophobicContact CE1-CD2 4.39Å; F983-L1093 HydrophobicContact CE1-CG 4.37Å |
| 984 | E | 94.2 | Very high | 92.3 | Very high | 27 Ų | 27 | 49.6 Ų | 49.6 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 172.3 | -179.4 | 162.9 | -170.7 | 0 | 0 | 112.3 | M1 L980 D981 L986 V987 N988 L1093 K1097 | M1-E984 WeakPolarHBondContact CA-OE1 3.44Å; M1-E984 PolarHBondContact N-OE1 3.18Å; L980-E984 PolarHBondContact O-N 3.24Å; L980-E984 VanDerWaalsContact O-N 3.08Å; D981-E984 WeakPolarHBondContact O-CB 3.33Å; D981-E984 PolarHBondContact O-N 3.44Å; D981-E984 VanDerWaalsContact O-N 3.15Å; E984-L986 VanDerWaalsContact C-N 3.27Å; E984-L986 PolarHBondContact O-N 3.07Å; E984-V987 PolarHBondContact O-N 3.25Å; E984-N988 PolarHBondContact O-N 2.87Å; E984-N988 VanDerWaalsContact O-N 3.12Å; E984-N988 PolarHBondContact O-ND2 3.05Å; E984-L1093 HydrophobicContact CB-CD2 3.7Å; E984-L1093 HydrophobicContact CG-CD2 4.28Å; E984-K1097 IonicContact OE2-NZ 2.78Å; E984-K1097 PolarHBondContact OE2-NZ 2.95Å |
| 985 | Q | 92.9 | Very high | 93.2 | Very high | 110 Ų | 110 | 38.9 Ų | 38.9 | 51% | 0.514 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61 | -36 | 176.9 | -69.5 | 177.2 | 28.6 | 0 | 0 | 112.2 | D981 Q982 N988 R989 | D981-Q985 WeakPolarHBondContact O-CG 3.43Å; D981-Q985 PolarHBondContact O-N 2.95Å; D981-Q985 PolarHBondContact OD2-NE2 3.43Å; Q982-Q985 PolarHBondContact O-N 2.87Å; Q985-N988 PolarHBondContact O-N 3.38Å; Q985-R989 WeakPolarHBondContact O-CB 3.44Å; Q985-R989 PolarHBondContact O-N 3.05Å |
| 986 | L | 92.3 | Very high | 94 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 9% | 0.094 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.7 | -49.3 | 175.9 | -73.3 | 177.4 | 0 | 0 | 0 | 111.8 | V955 Q982 F983 E984 N988 R989 E990 | V955-L986 HydrophobicContact CB-CD1 3.99Å; V955-L986 HydrophobicContact CG1-CD1 4.44Å; V955-L986 HydrophobicContact CG2-CD1 3.65Å; Q982-L986 WeakPolarHBondContact O-CG 2.96Å; Q982-L986 PolarHBondContact O-N 3.39Å; Q982-L986 VanDerWaalsContact O-N 3.09Å; F983-L986 PolarHBondContact O-N 3.42Å; E984-L986 VanDerWaalsContact C-N 3.27Å; E984-L986 PolarHBondContact O-N 3.07Å; L986-N988 VanDerWaalsContact C-N 3.32Å; L986-N988 PolarHBondContact O-N 3.43Å; L986-R989 PolarHBondContact O-N 2.85Å; L986-E990 WeakPolarHBondContact O-CB 3.45Å; L986-E990 WeakPolarHBondContact O-CG 3.4Å; L986-E990 PolarHBondContact O-N 3.38Å |
| 987 | V | 92.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.3 | -46.9 | 177.6 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | F983 E984 E990 T991 N1028 F1031 A1032 | F983-V987 PolarHBondContact O-N 3.36Å; E984-V987 PolarHBondContact O-N 3.25Å; V987-E990 PolarHBondContact O-N 2.99Å; V987-T991 WeakPolarHBondContact O-CB 3.28Å; V987-T991 PolarHBondContact O-N 2.68Å; V987-T991 PolarHBondContact O-OG1 2.85Å; V987-N1028 VanDerWaalsContact CG2-CG 3.4Å; V987-N1028 WeakPolarHBondContact CG2-ND2 3.05Å; V987-N1028 WeakPolarHBondContact CG2-OD1 3.5Å; V987-F1031 HydrophobicContact CG1-CD1 4.44Å; V987-A1032 HydrophobicContact CG1-CB 4.19Å |
| 988 | N | 89.8 | Confident | 94.6 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 29% | 0.294 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.4 | -46.4 | -179.8 | -68.3 | -22.5 | 0 | 0 | 0 | 110.8 | E984 Q985 L986 E990 T991 W992 | E984-N988 PolarHBondContact O-N 2.87Å; E984-N988 VanDerWaalsContact O-N 3.12Å; E984-N988 PolarHBondContact O-ND2 3.05Å; Q985-N988 PolarHBondContact O-N 3.38Å; L986-N988 VanDerWaalsContact C-N 3.32Å; L986-N988 PolarHBondContact O-N 3.43Å; N988-E990 VanDerWaalsContact C-N 3.34Å; N988-E990 PolarHBondContact O-N 2.92Å; N988-T991 PolarHBondContact O-N 2.73Å; N988-W992 PolarHBondContact O-N 2.83Å |
| 989 | R | 94.1 | Very high | 94.8 | Very high | 108 Ų | 108 | 30.3 Ų | 30.3 | 41% | 0.408 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -59 | -44 | 177.6 | -179 | -176.7 | 169.4 | 99.8 | -0.2 | 111.6 | Q985 L986 W992 W993 L1202 F1205 V1207 | Q985-R989 WeakPolarHBondContact O-CB 3.44Å; Q985-R989 PolarHBondContact O-N 3.05Å; L986-R989 PolarHBondContact O-N 2.85Å; R989-W992 PolarHBondContact O-N 3.09Å; R989-W993 VanDerWaalsContact O-CB 3.26Å; R989-W993 WeakPolarHBondContact O-CB 3.39Å; R989-W993 PolarHBondContact O-N 3.15Å; R989-L1202 PolarHBondContact NH2-O 3.23Å; R989-F1205 PolarHBondContact NH2-O 3.36Å; R989-V1207 HydrophobicContact CG-CG2 3.96Å |
| 990 | E | 95.3 | Very high | 95 | Very high | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65 | -42.1 | 177.7 | -73.7 | -175.9 | 161.7 | 0 | 0 | 112 | L948 L986 V987 N988 W992 W993 V994 S1029 A1032 | L948-E990 WeakPolarHBondContact CD2-OE1 3.37Å; L986-E990 WeakPolarHBondContact O-CB 3.45Å; L986-E990 WeakPolarHBondContact O-CG 3.4Å; L986-E990 PolarHBondContact O-N 3.38Å; V987-E990 PolarHBondContact O-N 2.99Å; N988-E990 VanDerWaalsContact C-N 3.34Å; N988-E990 PolarHBondContact O-N 2.92Å; E990-W992 PolarHBondContact O-N 3.36Å; E990-W993 WeakPolarHBondContact O-CB 3.38Å; E990-W993 PolarHBondContact O-N 3.43Å; E990-V994 WeakPolarHBondContact O-CG2 3.48Å; E990-V994 PolarHBondContact O-N 3.4Å; E990-S1029 PolarHBondContact OE1-OG 3.05Å; E990-S1029 WeakPolarHBondContact OE2-CA 3.36Å; E990-S1029 WeakPolarHBondContact OE2-CB 3.35Å; E990-S1029 PolarHBondContact OE2-OG 3.47Å; E990-A1032 HydrophobicContact CB-CB 3.65Å |
| 991 | T | 95.1 | Very high | 95.1 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 8% | 0.08 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.4 | -46.4 | 176.8 | -52.3 | 0 | 0 | 0 | 0 | 111.1 | V987 N988 A1032 C1035 G1036 K1039 | V987-T991 WeakPolarHBondContact O-CB 3.28Å; V987-T991 PolarHBondContact O-N 2.68Å; V987-T991 PolarHBondContact O-OG1 2.85Å; N988-T991 PolarHBondContact O-N 2.73Å; T991-A1032 WeakPolarHBondContact CA-O 3.22Å; T991-A1032 WeakPolarHBondContact OG1-CA 3.18Å; T991-A1032 PolarHBondContact OG1-O 3.47Å; T991-C1035 HydrophobicContact CG2-CB 3.93Å; T991-G1036 WeakPolarHBondContact O-CA 3.45Å; T991-K1039 HydrophobicContact CG2-CD 4.48Å; T991-K1039 VanDerWaalsContact CG2-CE 3.4Å |
| 992 | W | 95.9 | Very high | 95.1 | Very high | 47 Ų | 47 | 36.1 Ų | 36.1 | 18% | 0.178 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.9 | -31.6 | 178.1 | -68.3 | 125.8 | 0 | 0 | 0 | 113 | N988 R989 E990 V994 A995 T996 K1039 V1207 D1209 E1211 L1214 | N988-W992 PolarHBondContact O-N 2.83Å; R989-W992 PolarHBondContact O-N 3.09Å; E990-W992 PolarHBondContact O-N 3.36Å; W992-V994 VanDerWaalsContact C-N 3.31Å; W992-V994 PolarHBondContact O-N 2.8Å; W992-A995 PolarHBondContact O-N 2.79Å; W992-T996 VanDerWaalsContact O-CB 3.29Å; W992-T996 WeakPolarHBondContact O-CB 3.36Å; W992-T996 PolarHBondContact O-N 3.06Å; W992-T996 PolarHBondContact O-OG1 3.44Å; W992-K1039 HydrophobicContact CE3-CD 3.75Å; W992-K1039 VanDerWaalsContact CE3-CE 3.4Å; W992-K1039 HydrophobicContact CH2-CD 4.39Å; W992-K1039 HydrophobicContact CZ3-CD 3.61Å; W992-K1039 VanDerWaalsContact CZ3-CE 3.43Å; W992-V1207 HydrophobicContact CB-CG1 3.31Å; W992-V1207 HydrophobicContact CG-CG1 4.5Å; W992-D1209 HydrophobicContact CD2-CB 4.35Å; W992-D1209 HydrophobicContact CG-CB 4.02Å; W992-D1209 WeakPolarHBondContact CZ2-O 3.45Å; W992-E1211 HydrophobicContact CH2-CB 4.03Å; W992-E1211 HydrophobicContact CH2-CG 4.46Å; W992-E1211 HydrophobicContact CZ3-CB 4.4Å; W992-L1214 HydrophobicContact CE3-CD1 3.43Å; W992-L1214 VanDerWaalsContact CE3-CD1 3.43Å; W992-L1214 HydrophobicContact CZ3-CD1 3.51Å |
| 993 | W | 96.8 | Very high | 95.2 | Very high | 10 Ų | 10 | 35 Ų | 35 | 4% | 0.038 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56 | -46.1 | 174.7 | 162.8 | 43.1 | 0 | 0 | 0 | 111.3 | L936 L948 R989 E990 T996 E997 F1014 I1017 Y1201 L1202 F1205 V1207 | L936-W993 HydrophobicContact CD1-CZ2 3.98Å; L948-W993 HydrophobicContact CD1-CH2 4.24Å; L948-W993 HydrophobicContact CD1-CZ3 3.81Å; L948-W993 HydrophobicContact CD2-CZ3 4.44Å; R989-W993 VanDerWaalsContact O-CB 3.26Å; R989-W993 WeakPolarHBondContact O-CB 3.39Å; R989-W993 PolarHBondContact O-N 3.15Å; E990-W993 WeakPolarHBondContact O-CB 3.38Å; E990-W993 PolarHBondContact O-N 3.43Å; W993-T996 PolarHBondContact O-N 3.16Å; W993-E997 PolarHBondContact O-N 2.85Å; W993-F1014 AromaticContact CD2-CE1 3.91Å; W993-F1014 HydrophobicContact CD2-CE1 3.91Å; W993-F1014 HydrophobicContact CD2-CZ 4.22Å; W993-F1014 AromaticContact CE2-CE1 3.65Å; W993-F1014 AromaticContact CE2-CZ 3.81Å; W993-F1014 AromaticContact CE3-CE1 3.97Å; W993-F1014 HydrophobicContact CE3-CE1 3.97Å; W993-F1014 HydrophobicContact CH2-CD1 4.39Å; W993-F1014 AromaticContact CH2-CE1 3.62Å; W993-F1014 HydrophobicContact CH2-CE1 3.62Å; W993-F1014 AromaticContact CZ2-CE1 3.5Å; W993-F1014 HydrophobicContact CZ2-CE1 3.5Å; W993-F1014 AromaticContact CZ2-CZ 3.97Å; W993-F1014 HydrophobicContact CZ2-CZ 3.97Å; W993-F1014 AromaticContact CZ3-CE1 3.83Å; W993-F1014 HydrophobicContact CZ3-CE1 3.83Å; W993-F1014 AromaticContact NE1-CZ 3.98Å; W993-I1017 HydrophobicContact CH2-CD1 4.24Å; W993-Y1201 AromaticContact CE2-CE1 3.98Å; W993-Y1201 AromaticContact CZ2-CE1 3.73Å; W993-Y1201 HydrophobicContact CZ2-CE1 3.73Å; W993-Y1201 AromaticContact NE1-CE1 3.77Å; W993-Y1201 AromaticContact NE1-CZ 3.72Å; W993-Y1201 PolarHBondContact NE1-OH 3.34Å; W993-L1202 HydrophobicContact CH2-CD2 4.37Å; W993-L1202 HydrophobicContact CZ2-CD2 4.37Å; W993-F1205 HydrophobicContact CB-CE1 4.42Å; W993-F1205 AromaticContact CD1-CD1 3.47Å; W993-F1205 VanDerWaalsContact CD1-CD1 3.47Å; W993-F1205 AromaticContact CD1-CE1 3.34Å; W993-F1205 AromaticContact CD1-CZ 3.92Å; W993-F1205 HydrophobicContact CG-CD1 4.3Å; W993-F1205 HydrophobicContact CG-CE1 4.23Å; W993-V1207 HydrophobicContact CB-CG2 4Å |
| 994 | V | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.9 | -53.3 | 178.2 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | E990 W992 T996 E997 V998 F1014 I1033 L1037 | E990-V994 WeakPolarHBondContact O-CG2 3.48Å; E990-V994 PolarHBondContact O-N 3.4Å; W992-V994 VanDerWaalsContact C-N 3.31Å; W992-V994 PolarHBondContact O-N 2.8Å; V994-T996 VanDerWaalsContact C-N 3.29Å; V994-T996 PolarHBondContact O-N 3.01Å; V994-E997 PolarHBondContact O-N 3.01Å; V994-V998 WeakPolarHBondContact O-CG2 3.48Å; V994-V998 PolarHBondContact O-N 3.06Å; V994-V998 VanDerWaalsContact O-N 3.11Å; V994-F1014 HydrophobicContact CB-CD1 4.42Å; V994-F1014 HydrophobicContact CB-CE1 4.26Å; V994-F1014 HydrophobicContact CB-CE2 4.39Å; V994-F1014 HydrophobicContact CB-CZ 4.25Å; V994-F1014 HydrophobicContact CG1-CB 4.5Å; V994-F1014 HydrophobicContact CG1-CD1 4.27Å; V994-F1014 HydrophobicContact CG1-CD2 3.88Å; V994-F1014 HydrophobicContact CG1-CE1 4.49Å; V994-F1014 HydrophobicContact CG1-CE2 4.09Å; V994-F1014 HydrophobicContact CG1-CG 3.97Å; V994-F1014 HydrophobicContact CG1-CZ 4.41Å; V994-F1014 HydrophobicContact CG2-CD1 3.7Å; V994-F1014 HydrophobicContact CG2-CE1 3.63Å; V994-F1014 HydrophobicContact CG2-CG 4.25Å; V994-F1014 HydrophobicContact CG2-CZ 4.11Å; V994-I1033 HydrophobicContact CG2-CB 4.17Å; V994-I1033 HydrophobicContact CG2-CG1 4.01Å; V994-I1033 HydrophobicContact CG2-CG2 4.1Å; V994-L1037 HydrophobicContact CG1-CD2 3.66Å; V994-L1037 HydrophobicContact CG1-CG 3.84Å |
| 995 | A | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -39 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W992 V998 C999 K1039 V1042 L1214 | W992-A995 PolarHBondContact O-N 2.79Å; A995-V998 PolarHBondContact O-N 3.13Å; A995-C999 VanDerWaalsContact O-CB 3.29Å; A995-C999 WeakPolarHBondContact O-CB 3.5Å; A995-C999 PolarHBondContact O-N 2.97Å; A995-C999 PolarHBondContact O-SG 3.29Å; A995-C999 VanDerWaalsContact O-SG 3.41Å; A995-K1039 HydrophobicContact CB-CD 3.84Å; A995-V1042 HydrophobicContact CB-CG2 3.99Å; A995-L1214 HydrophobicContact CB-CD1 3.96Å; A995-L1214 HydrophobicContact CB-CD2 4.43Å |
| 996 | T | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -48.8 | 177.8 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | W992 W993 V994 V998 K1000 F1205 I1208 | W992-T996 VanDerWaalsContact O-CB 3.29Å; W992-T996 WeakPolarHBondContact O-CB 3.36Å; W992-T996 PolarHBondContact O-N 3.06Å; W992-T996 PolarHBondContact O-OG1 3.44Å; W993-T996 PolarHBondContact O-N 3.16Å; V994-T996 VanDerWaalsContact C-N 3.29Å; V994-T996 PolarHBondContact O-N 3.01Å; T996-V998 PolarHBondContact O-N 3.09Å; T996-K1000 HydrophobicContact CG2-CD 3.73Å; T996-K1000 HydrophobicContact CG2-CG 4.26Å; T996-K1000 VanDerWaalsContact O-CB 3.27Å; T996-K1000 WeakPolarHBondContact O-CB 3.49Å; T996-K1000 VanDerWaalsContact O-CG 3.27Å; T996-K1000 WeakPolarHBondContact O-CG 3.49Å; T996-K1000 PolarHBondContact O-N 3Å; T996-F1205 HydrophobicContact CG2-CE1 4Å; T996-F1205 HydrophobicContact CG2-CZ 3.63Å; T996-I1208 HydrophobicContact CG2-CB 4.07Å; T996-I1208 HydrophobicContact CG2-CD1 4.13Å; T996-I1208 HydrophobicContact CG2-CG1 3.85Å; T996-I1208 PolarHBondContact OG1-N 3.01Å; T996-I1208 PolarHBondContact OG1-O 3.17Å; T996-I1208 VanDerWaalsContact OG1-O 3.12Å |
| 997 | E | 96.6 | Very high | 95.6 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | 179.1 | -87.1 | -73.9 | 167.7 | 0 | 0 | 112.2 | L936 W993 V994 I1010 F1014 Y1201 F1205 | L936-E997 HydrophobicContact CD2-CB 4.35Å; L936-E997 HydrophobicContact CD2-CG 4.01Å; W993-E997 PolarHBondContact O-N 2.85Å; V994-E997 PolarHBondContact O-N 3.01Å; E997-I1010 HydrophobicContact CB-CG2 4.13Å; E997-F1014 HydrophobicContact CB-CE2 3.69Å; E997-F1014 HydrophobicContact CB-CZ 3.83Å; E997-F1014 HydrophobicContact CG-CE2 4.37Å; E997-F1014 HydrophobicContact CG-CZ 4.05Å; E997-Y1201 WeakPolarHBondContact CG-OH 3.5Å; E997-Y1201 PolarHBondContact OE1-OH 2.79Å; E997-F1205 HydrophobicContact CG-CE1 4.42Å; E997-F1205 HydrophobicContact CG-CE2 3.79Å; E997-F1205 HydrophobicContact CG-CZ 3.64Å; E997-F1205 WeakPolarHBondContact OE1-CD2 3.46Å; E997-F1205 WeakPolarHBondContact OE1-CE2 3.45Å |
| 998 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.7 | -46.5 | -179.6 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | V994 A995 T996 E1001 R1007 I1010 V1011 F1014 V1042 L1045 | V994-V998 WeakPolarHBondContact O-CG2 3.48Å; V994-V998 PolarHBondContact O-N 3.06Å; V994-V998 VanDerWaalsContact O-N 3.11Å; A995-V998 PolarHBondContact O-N 3.13Å; T996-V998 PolarHBondContact O-N 3.09Å; V998-E1001 PolarHBondContact O-N 3.42Å; V998-R1007 HydrophobicContact CG1-CG 3.88Å; V998-R1007 WeakPolarHBondContact O-CD 3.21Å; V998-R1007 WeakPolarHBondContact O-CG 3.48Å; V998-I1010 HydrophobicContact CG2-CG2 3.89Å; V998-V1011 HydrophobicContact CG1-CG2 4.12Å; V998-V1011 HydrophobicContact CG2-CG2 3.98Å; V998-F1014 HydrophobicContact CG2-CD2 4.32Å; V998-F1014 HydrophobicContact CG2-CE2 4.32Å; V998-V1042 HydrophobicContact CB-CG1 4.5Å; V998-V1042 HydrophobicContact CB-CG2 4.17Å; V998-V1042 HydrophobicContact CG1-CG1 4Å; V998-V1042 HydrophobicContact CG1-CG2 4.25Å; V998-L1045 HydrophobicContact CG1-CD1 3.74Å |
| 999 | C | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.7 | -25.9 | -176.6 | -69 | 0 | 0 | 0 | 0 | 113.6 | A995 L1214 L1217 S1218 V1221 | A995-C999 VanDerWaalsContact O-CB 3.29Å; A995-C999 WeakPolarHBondContact O-CB 3.5Å; A995-C999 PolarHBondContact O-N 2.97Å; A995-C999 PolarHBondContact O-SG 3.29Å; A995-C999 VanDerWaalsContact O-SG 3.41Å; C999-L1214 HydrophobicContact CB-CD2 4.2Å; C999-L1217 HydrophobicContact CB-CB 4.01Å; C999-S1218 PolarHBondContact SG-OG 2.94Å; C999-V1221 WeakPolarHBondContact O-CG1 3.27Å |
| 1000 | K | 95 | Very high | 96.5 | Very high | 79 Ų | 79 | 42.2 Ų | 42.2 | 34% | 0.343 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -73.8 | -25.4 | 175.1 | -77.5 | -178.1 | 179.3 | 171.1 | 0 | 113.1 | T996 R1002 Q1206 L1217 | T996-K1000 HydrophobicContact CG2-CD 3.73Å; T996-K1000 HydrophobicContact CG2-CG 4.26Å; T996-K1000 VanDerWaalsContact O-CB 3.27Å; T996-K1000 WeakPolarHBondContact O-CB 3.49Å; T996-K1000 VanDerWaalsContact O-CG 3.27Å; T996-K1000 WeakPolarHBondContact O-CG 3.49Å; T996-K1000 PolarHBondContact O-N 3Å; K1000-R1002 PolarHBondContact O-N 2.9Å; K1000-Q1206 PolarHBondContact NZ-O 2.74Å; K1000-L1217 HydrophobicContact CG-CD1 4.19Å |
| 1001 | E | 95.9 | Very high | 96.6 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 20% | 0.201 | 19% | 0.189 | C | C | . | . | trans | -79.3 | 114.1 | -175.3 | 178.4 | 57.6 | -110 | 0 | 0 | 112.5 | V998 S1003 R1006 R1007 I1010 | V998-E1001 PolarHBondContact O-N 3.42Å; E1001-S1003 VanDerWaalsContact OE1-CB 3.28Å; E1001-S1003 WeakPolarHBondContact OE1-CB 3.2Å; E1001-S1003 PolarHBondContact OE1-N 3.41Å; E1001-R1006 VanDerWaalsContact CD-CB 3.48Å; E1001-R1006 HydrophobicContact CG-CB 3.8Å; E1001-R1007 HydrophobicContact CB-CB 4.17Å; E1001-R1007 HydrophobicContact CB-CG 4.32Å; E1001-R1007 HydrophobicContact CG-CB 3.8Å; E1001-R1007 HydrophobicContact CG-CG 4.48Å; E1001-R1007 WeakPolarHBondContact O-CD 3.18Å; E1001-R1007 PolarHBondContact O-NH1 2.81Å; E1001-I1010 HydrophobicContact CB-CD1 3.64Å; E1001-I1010 HydrophobicContact CG-CD1 3.77Å | ||
| 1002 | R | 95.4 | Very high | 96.8 | Very high | 133 Ų | 133 | 44.6 Ų | 44.6 | 50% | 0.502 | 20% | 0.201 | S | C | . | . | trans | -77.2 | -34.1 | -177.8 | -55.3 | -53.6 | -172.8 | 171.6 | 2 | 113 | K1000 L1004 R1007 E1220 | K1000-R1002 PolarHBondContact O-N 2.9Å; R1002-L1004 PolarHBondContact O-N 2.77Å; R1002-R1007 PolarHBondContact O-NH1 2.96Å; R1002-R1007 VanDerWaalsContact O-NH1 3.16Å; R1002-E1220 IonicContact CZ-OE2 3.78Å; R1002-E1220 VanDerWaalsContact CZ-OE2 3.31Å; R1002-E1220 IonicContact NH1-OE2 3.66Å; R1002-E1220 PolarHBondContact NH1-OE2 2.83Å; R1002-E1220 IonicContact NH2-OE2 3.79Å; R1002-E1220 PolarHBondContact NH2-OE2 2.91Å | ||
| 1003 | S | 95.3 | Very high | 96.9 | Very high | 48 Ų | 48 | 44 Ų | 44 | 34% | 0.336 | 20% | 0.199 | S | C | . | . | trans | -77.1 | 117.6 | -178.3 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | E1001 L1005 R1006 R1007 | E1001-S1003 VanDerWaalsContact OE1-CB 3.28Å; E1001-S1003 WeakPolarHBondContact OE1-CB 3.2Å; E1001-S1003 PolarHBondContact OE1-N 3.41Å; S1003-L1005 VanDerWaalsContact C-N 3.32Å; S1003-L1005 PolarHBondContact O-N 2.88Å; S1003-R1006 PolarHBondContact O-N 2.8Å; S1003-R1006 VanDerWaalsContact O-N 3.09Å; S1003-R1007 VanDerWaalsContact O-CB 3.31Å; S1003-R1007 WeakPolarHBondContact O-CB 3.39Å; S1003-R1007 PolarHBondContact O-N 3.44Å | ||
| 1004 | L | 95.6 | Very high | 97 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 28% | 0.277 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -54.4 | -43 | 179.3 | 175.2 | 149.1 | 0 | 0 | 0 | 113.2 | R1002 R1007 A1008 N1047 K1051 | R1002-L1004 PolarHBondContact O-N 2.77Å; L1004-R1007 PolarHBondContact O-N 2.69Å; L1004-A1008 PolarHBondContact O-N 2.73Å; L1004-N1047 HydrophobicContact CD1-CB 3.83Å; L1004-K1051 HydrophobicContact CD2-CB 4.5Å; L1004-K1051 HydrophobicContact CD2-CD 4.39Å; L1004-K1051 HydrophobicContact CD2-CG 3.53Å |
| 1005 | L | 95.2 | Very high | 97 | Very high | 118 Ų | 118 | 43.5 Ų | 43.5 | 62% | 0.618 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -69.1 | -37.5 | 178.2 | -83.4 | 77.3 | 0 | 0 | 0 | 112.4 | S1003 K1009 | S1003-L1005 VanDerWaalsContact C-N 3.32Å; S1003-L1005 PolarHBondContact O-N 2.88Å; L1005-K1009 WeakPolarHBondContact O-CG 3.49Å; L1005-K1009 PolarHBondContact O-N 3.37Å |
| 1006 | R | 96.6 | Very high | 97 | Very high | 155 Ų | 155 | 47.7 Ų | 47.7 | 59% | 0.585 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -71.1 | -39.4 | 176.3 | -66.4 | -177.3 | 177.6 | -175.9 | -0.5 | 110.8 | E1001 S1003 A1008 K1009 I1010 | E1001-R1006 VanDerWaalsContact CD-CB 3.48Å; E1001-R1006 HydrophobicContact CG-CB 3.8Å; S1003-R1006 PolarHBondContact O-N 2.8Å; S1003-R1006 VanDerWaalsContact O-N 3.09Å; R1006-A1008 PolarHBondContact O-N 3.08Å; R1006-K1009 CarbonylContact O-C 3.44Å; R1006-K1009 WeakPolarHBondContact O-CA 3.39Å; R1006-K1009 WeakPolarHBondContact O-CB 3.35Å; R1006-K1009 PolarHBondContact O-N 3.21Å; R1006-I1010 WeakPolarHBondContact O-CG1 3.3Å; R1006-I1010 PolarHBondContact O-N 2.77Å |
| 1007 | R | 97.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 1% | 0.011 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 176.4 | -165.1 | 169.5 | 52.8 | -115.9 | 10.8 | 111.7 | V998 E1001 R1002 S1003 L1004 K1009 I1010 V1011 T1048 | V998-R1007 HydrophobicContact CG1-CG 3.88Å; V998-R1007 WeakPolarHBondContact O-CD 3.21Å; V998-R1007 WeakPolarHBondContact O-CG 3.48Å; E1001-R1007 HydrophobicContact CB-CB 4.17Å; E1001-R1007 HydrophobicContact CB-CG 4.32Å; E1001-R1007 HydrophobicContact CG-CB 3.8Å; E1001-R1007 HydrophobicContact CG-CG 4.48Å; E1001-R1007 WeakPolarHBondContact O-CD 3.18Å; E1001-R1007 PolarHBondContact O-NH1 2.81Å; R1002-R1007 PolarHBondContact O-NH1 2.96Å; R1002-R1007 VanDerWaalsContact O-NH1 3.16Å; S1003-R1007 VanDerWaalsContact O-CB 3.31Å; S1003-R1007 WeakPolarHBondContact O-CB 3.39Å; S1003-R1007 PolarHBondContact O-N 3.44Å; L1004-R1007 PolarHBondContact O-N 2.69Å; R1007-K1009 VanDerWaalsContact C-N 3.29Å; R1007-K1009 PolarHBondContact O-N 3.37Å; R1007-I1010 WeakPolarHBondContact O-CB 3.33Å; R1007-I1010 PolarHBondContact O-N 3.23Å; R1007-V1011 PolarHBondContact O-N 3.38Å; R1007-T1048 HydrophobicContact CB-CG2 4.09Å; R1007-T1048 HydrophobicContact CG-CG2 3.73Å; R1007-T1048 PolarHBondContact NE-OG1 2.78Å; R1007-T1048 PolarHBondContact NH2-OG1 3Å; R1007-T1048 VanDerWaalsContact NH2-OG1 3.15Å |
| 1008 | A | 97.9 | Very high | 97.1 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.4 | -35.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1004 R1006 K1012 T1048 K1051 V1052 | L1004-A1008 PolarHBondContact O-N 2.73Å; R1006-A1008 PolarHBondContact O-N 3.08Å; A1008-K1012 WeakPolarHBondContact O-CB 3.19Å; A1008-K1012 PolarHBondContact O-N 3.24Å; A1008-T1048 HydrophobicContact CB-CG2 4.44Å; A1008-K1051 HydrophobicContact CB-CB 3.78Å; A1008-V1052 HydrophobicContact CB-CG2 4.25Å |
| 1009 | K | 98 | Very high | 97.1 | Very high | 133 Ų | 133 | 49.8 Ų | 49.8 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -67.3 | -33.7 | 172.8 | -72.5 | 174.9 | -178.9 | 179.8 | 0 | 112.7 | T937 L1005 R1006 R1007 K1013 | T937-K1009 HydrophobicContact CG2-CB 4.31Å; L1005-K1009 WeakPolarHBondContact O-CG 3.49Å; L1005-K1009 PolarHBondContact O-N 3.37Å; R1006-K1009 CarbonylContact O-C 3.44Å; R1006-K1009 WeakPolarHBondContact O-CA 3.39Å; R1006-K1009 WeakPolarHBondContact O-CB 3.35Å; R1006-K1009 PolarHBondContact O-N 3.21Å; R1007-K1009 VanDerWaalsContact C-N 3.29Å; R1007-K1009 PolarHBondContact O-N 3.37Å; K1009-K1013 WeakPolarHBondContact O-CB 3.33Å; K1009-K1013 PolarHBondContact O-N 3.05Å |
| 1010 | I | 98.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.6 | -49.4 | 174.5 | -69.7 | 171 | 0 | 0 | 0 | 110.1 | L936 T937 E997 V998 E1001 R1006 R1007 K1012 K1013 F1014 | L936-I1010 HydrophobicContact CD2-CG2 4.04Å; T937-I1010 HydrophobicContact CG2-CG1 3.98Å; E997-I1010 HydrophobicContact CB-CG2 4.13Å; V998-I1010 HydrophobicContact CG2-CG2 3.89Å; E1001-I1010 HydrophobicContact CB-CD1 3.64Å; E1001-I1010 HydrophobicContact CG-CD1 3.77Å; R1006-I1010 WeakPolarHBondContact O-CG1 3.3Å; R1006-I1010 PolarHBondContact O-N 2.77Å; R1007-I1010 WeakPolarHBondContact O-CB 3.33Å; R1007-I1010 PolarHBondContact O-N 3.23Å; I1010-K1012 VanDerWaalsContact C-N 3.34Å; I1010-K1012 PolarHBondContact O-N 3.15Å; I1010-K1013 WeakPolarHBondContact O-CA 3.46Å; I1010-K1013 VanDerWaalsContact O-CB 3.3Å; I1010-K1013 WeakPolarHBondContact O-CB 3.49Å; I1010-K1013 PolarHBondContact O-N 3.46Å; I1010-F1014 HydrophobicContact CG2-CD2 3.72Å; I1010-F1014 HydrophobicContact CG2-CE2 3.48Å; I1010-F1014 VanDerWaalsContact CG2-CE2 3.48Å; I1010-F1014 WeakPolarHBondContact O-CD2 3.37Å; I1010-F1014 PolarHBondContact O-N 2.99Å |
| 1011 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.9 | -49 | 175.3 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | V998 R1007 K1013 F1014 I1015 L1037 T1048 W1049 V1052 | V998-V1011 HydrophobicContact CG1-CG2 4.12Å; V998-V1011 HydrophobicContact CG2-CG2 3.98Å; R1007-V1011 PolarHBondContact O-N 3.38Å; V1011-K1013 PolarHBondContact O-N 2.91Å; V1011-F1014 PolarHBondContact O-N 2.74Å; V1011-F1014 VanDerWaalsContact O-N 3.16Å; V1011-I1015 HydrophobicContact CG1-CD1 4.03Å; V1011-I1015 WeakPolarHBondContact O-CG1 3.47Å; V1011-I1015 PolarHBondContact O-N 3.2Å; V1011-L1037 HydrophobicContact CG1-CD2 4.18Å; V1011-T1048 HydrophobicContact CG2-CG2 4.23Å; V1011-W1049 HydrophobicContact CG1-CE3 4.1Å; V1011-W1049 HydrophobicContact CG1-CH2 3.73Å; V1011-W1049 HydrophobicContact CG1-CZ2 4.39Å; V1011-W1049 HydrophobicContact CG1-CZ3 3.56Å; V1011-V1052 HydrophobicContact CB-CG2 4.02Å; V1011-V1052 HydrophobicContact CG1-CG2 3.82Å |
| 1012 | K | 98 | Very high | 96.9 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.1 | -34.5 | 174 | 173.2 | 170.9 | 168.1 | 164.5 | 0 | 113.1 | A1008 I1010 K1016 Y1056 | A1008-K1012 WeakPolarHBondContact O-CB 3.19Å; A1008-K1012 PolarHBondContact O-N 3.24Å; I1010-K1012 VanDerWaalsContact C-N 3.34Å; I1010-K1012 PolarHBondContact O-N 3.15Å; K1012-K1016 WeakPolarHBondContact O-CG 3.21Å; K1012-K1016 PolarHBondContact O-N 2.76Å; K1012-Y1056 HydrophobicContact CD-CD2 3.86Å; K1012-Y1056 HydrophobicContact CD-CE1 4.49Å; K1012-Y1056 HydrophobicContact CD-CE2 3.64Å; K1012-Y1056 HydrophobicContact CD-CG 4.42Å; K1012-Y1056 WeakPolarHBondContact CE-OH 3.34Å; K1012-Y1056 HydrophobicContact CG-CD1 4.01Å; K1012-Y1056 HydrophobicContact CG-CD2 3.95Å; K1012-Y1056 HydrophobicContact CG-CE1 3.97Å; K1012-Y1056 HydrophobicContact CG-CE2 3.96Å; K1012-Y1056 HydrophobicContact CG-CG 4Å |
| 1013 | K | 97.8 | Very high | 96.7 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 15% | 0.148 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.8 | -46.7 | 176.2 | -176.4 | 72.6 | 68.9 | 162.8 | 0 | 110.5 | L936 T937 L939 A941 K1009 I1010 V1011 I1015 K1016 I1017 | L936-K1013 HydrophobicContact CD1-CG 4.23Å; L936-K1013 HydrophobicContact CG-CG 4.16Å; L936-K1013 WeakPolarHBondContact O-CE 3.34Å; T937-K1013 WeakPolarHBondContact O-CE 2.94Å; T937-K1013 PolarHBondContact O-NZ 3.33Å; L939-K1013 PolarHBondContact O-NZ 3.04Å; A941-K1013 HydrophobicContact CB-CD 4.17Å; K1009-K1013 WeakPolarHBondContact O-CB 3.33Å; K1009-K1013 PolarHBondContact O-N 3.05Å; I1010-K1013 WeakPolarHBondContact O-CA 3.46Å; I1010-K1013 VanDerWaalsContact O-CB 3.3Å; I1010-K1013 WeakPolarHBondContact O-CB 3.49Å; I1010-K1013 PolarHBondContact O-N 3.46Å; V1011-K1013 PolarHBondContact O-N 2.91Å; K1013-I1015 PolarHBondContact O-N 3.34Å; K1013-K1016 WeakPolarHBondContact O-CB 3.13Å; K1013-K1016 PolarHBondContact O-N 2.87Å; K1013-K1016 VanDerWaalsContact O-N 3.15Å; K1013-I1017 HydrophobicContact CG-CD1 3.93Å; K1013-I1017 HydrophobicContact CG-CG1 4.47Å; K1013-I1017 WeakPolarHBondContact O-CG1 3.46Å; K1013-I1017 PolarHBondContact O-N 2.93Å |
| 1014 | F | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 178.1 | -79.1 | -61.4 | 0 | 0 | 0 | 112.7 | L936 W993 V994 E997 V998 I1010 V1011 K1016 I1017 A1018 I1033 L1037 | L936-F1014 HydrophobicContact CD2-CD2 4.45Å; L936-F1014 HydrophobicContact CD2-CE1 4.24Å; L936-F1014 HydrophobicContact CD2-CE2 3.7Å; L936-F1014 HydrophobicContact CD2-CZ 3.56Å; W993-F1014 AromaticContact CD2-CE1 3.91Å; W993-F1014 HydrophobicContact CD2-CE1 3.91Å; W993-F1014 HydrophobicContact CD2-CZ 4.22Å; W993-F1014 AromaticContact CE2-CE1 3.65Å; W993-F1014 AromaticContact CE2-CZ 3.81Å; W993-F1014 AromaticContact CE3-CE1 3.97Å; W993-F1014 HydrophobicContact CE3-CE1 3.97Å; W993-F1014 HydrophobicContact CH2-CD1 4.39Å; W993-F1014 AromaticContact CH2-CE1 3.62Å; W993-F1014 HydrophobicContact CH2-CE1 3.62Å; W993-F1014 AromaticContact CZ2-CE1 3.5Å; W993-F1014 HydrophobicContact CZ2-CE1 3.5Å; W993-F1014 AromaticContact CZ2-CZ 3.97Å; W993-F1014 HydrophobicContact CZ2-CZ 3.97Å; W993-F1014 AromaticContact CZ3-CE1 3.83Å; W993-F1014 HydrophobicContact CZ3-CE1 3.83Å; W993-F1014 AromaticContact NE1-CZ 3.98Å; V994-F1014 HydrophobicContact CB-CD1 4.42Å; V994-F1014 HydrophobicContact CB-CE1 4.26Å; V994-F1014 HydrophobicContact CB-CE2 4.39Å; V994-F1014 HydrophobicContact CB-CZ 4.25Å; V994-F1014 HydrophobicContact CG1-CB 4.5Å; V994-F1014 HydrophobicContact CG1-CD1 4.27Å; V994-F1014 HydrophobicContact CG1-CD2 3.88Å; V994-F1014 HydrophobicContact CG1-CE1 4.49Å; V994-F1014 HydrophobicContact CG1-CE2 4.09Å; V994-F1014 HydrophobicContact CG1-CG 3.97Å; V994-F1014 HydrophobicContact CG1-CZ 4.41Å; V994-F1014 HydrophobicContact CG2-CD1 3.7Å; V994-F1014 HydrophobicContact CG2-CE1 3.63Å; V994-F1014 HydrophobicContact CG2-CG 4.25Å; V994-F1014 HydrophobicContact CG2-CZ 4.11Å; E997-F1014 HydrophobicContact CB-CE2 3.69Å; E997-F1014 HydrophobicContact CB-CZ 3.83Å; E997-F1014 HydrophobicContact CG-CE2 4.37Å; E997-F1014 HydrophobicContact CG-CZ 4.05Å; V998-F1014 HydrophobicContact CG2-CD2 4.32Å; V998-F1014 HydrophobicContact CG2-CE2 4.32Å; I1010-F1014 HydrophobicContact CG2-CD2 3.72Å; I1010-F1014 HydrophobicContact CG2-CE2 3.48Å; I1010-F1014 VanDerWaalsContact CG2-CE2 3.48Å; I1010-F1014 WeakPolarHBondContact O-CD2 3.37Å; I1010-F1014 PolarHBondContact O-N 2.99Å; V1011-F1014 PolarHBondContact O-N 2.74Å; V1011-F1014 VanDerWaalsContact O-N 3.16Å; F1014-K1016 VanDerWaalsContact C-N 3.28Å; F1014-K1016 PolarHBondContact O-N 3.21Å; F1014-I1017 HydrophobicContact CD1-CD1 4.31Å; F1014-I1017 PolarHBondContact O-N 3.38Å; F1014-A1018 PolarHBondContact O-N 3.49Å; F1014-I1033 HydrophobicContact CB-CG2 3.9Å; F1014-I1033 HydrophobicContact CD1-CG2 4.13Å; F1014-I1033 HydrophobicContact CG-CG2 4.41Å; F1014-L1037 HydrophobicContact CB-CD1 4.36Å; F1014-L1037 HydrophobicContact CB-CD2 4.31Å |
| 1015 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.4 | -41.1 | 174.8 | -64.2 | 166.7 | 0 | 0 | 0 | 111.1 | V1011 K1013 A1018 K1019 L1037 V1052 Y1056 I1059 L1060 | V1011-I1015 HydrophobicContact CG1-CD1 4.03Å; V1011-I1015 WeakPolarHBondContact O-CG1 3.47Å; V1011-I1015 PolarHBondContact O-N 3.2Å; K1013-I1015 PolarHBondContact O-N 3.34Å; I1015-A1018 PolarHBondContact O-N 3.19Å; I1015-K1019 PolarHBondContact O-N 2.78Å; I1015-L1037 HydrophobicContact CG1-CD1 3.87Å; I1015-V1052 HydrophobicContact CD1-CG1 4.34Å; I1015-Y1056 HydrophobicContact CG2-CD1 4.19Å; I1015-I1059 HydrophobicContact CG2-CB 4.02Å; I1015-I1059 HydrophobicContact CG2-CG2 3.76Å; I1015-L1060 HydrophobicContact CD1-CB 4.26Å; I1015-L1060 HydrophobicContact CD1-CD2 4.46Å; I1015-L1060 HydrophobicContact CG1-CB 4.36Å |
| 1016 | K | 97.5 | Very high | 96.5 | Very high | 87 Ų | 87 | 34.8 Ų | 34.8 | 38% | 0.378 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.8 | -39.7 | 174.6 | -73 | -178 | 175 | -164.1 | 0 | 112.8 | A941 K1012 K1013 F1014 Q1020 Y1056 | A941-K1016 HydrophobicContact CB-CB 3.93Å; K1012-K1016 WeakPolarHBondContact O-CG 3.21Å; K1012-K1016 PolarHBondContact O-N 2.76Å; K1013-K1016 WeakPolarHBondContact O-CB 3.13Å; K1013-K1016 PolarHBondContact O-N 2.87Å; K1013-K1016 VanDerWaalsContact O-N 3.15Å; F1014-K1016 VanDerWaalsContact C-N 3.28Å; F1014-K1016 PolarHBondContact O-N 3.21Å; K1016-Q1020 WeakPolarHBondContact O-CB 3.48Å; K1016-Q1020 PolarHBondContact O-N 2.96Å; K1016-Q1020 VanDerWaalsContact O-N 3.13Å; K1016-Y1056 HydrophobicContact CD-CE1 4.12Å; K1016-Y1056 VanDerWaalsContact CE-CZ 3.48Å; K1016-Y1056 WeakPolarHBondContact CE-OH 3.45Å; K1016-Y1056 HydrophobicContact CG-CD1 4.3Å; K1016-Y1056 HydrophobicContact CG-CE1 3.69Å; K1016-Y1056 PolarHBondContact NZ-OH 3.47Å |
| 1017 | I | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.6 | -46.5 | 178.1 | -62.9 | 165.2 | 0 | 0 | 0 | 109.4 | L936 A941 L944 A945 L948 W993 K1013 F1014 K1019 Q1020 C1021 I1033 | L936-I1017 HydrophobicContact CD1-CD1 4.36Å; A941-I1017 HydrophobicContact CB-CG1 3.9Å; L944-I1017 HydrophobicContact CB-CD1 4.35Å; L944-I1017 HydrophobicContact CB-CG1 4.45Å; L944-I1017 HydrophobicContact CD1-CD1 3.94Å; A945-I1017 HydrophobicContact CB-CG2 4.16Å; L948-I1017 HydrophobicContact CD1-CG2 4.04Å; W993-I1017 HydrophobicContact CH2-CD1 4.24Å; K1013-I1017 HydrophobicContact CG-CD1 3.93Å; K1013-I1017 HydrophobicContact CG-CG1 4.47Å; K1013-I1017 WeakPolarHBondContact O-CG1 3.46Å; K1013-I1017 PolarHBondContact O-N 2.93Å; F1014-I1017 HydrophobicContact CD1-CD1 4.31Å; F1014-I1017 PolarHBondContact O-N 3.38Å; I1017-K1019 PolarHBondContact O-N 2.85Å; I1017-Q1020 CarbonylContact O-C 3.5Å; I1017-Q1020 WeakPolarHBondContact O-CA 3.15Å; I1017-Q1020 WeakPolarHBondContact O-CB 3.44Å; I1017-Q1020 PolarHBondContact O-N 3.41Å; I1017-C1021 PolarHBondContact O-N 3.21Å; I1017-C1021 PolarHBondContact O-SG 2.78Å; I1017-C1021 VanDerWaalsContact O-SG 3.32Å; I1017-I1033 HydrophobicContact CB-CD1 4.13Å; I1017-I1033 HydrophobicContact CG2-CD1 3.5Å |
| 1018 | A | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1014 I1015 Q1020 C1021 R1022 I1033 V1034 L1063 | F1014-A1018 PolarHBondContact O-N 3.49Å; I1015-A1018 PolarHBondContact O-N 3.19Å; A1018-Q1020 VanDerWaalsContact C-N 3.25Å; A1018-Q1020 PolarHBondContact O-N 3.46Å; A1018-C1021 PolarHBondContact O-N 2.67Å; A1018-R1022 PolarHBondContact O-N 2.85Å; A1018-I1033 HydrophobicContact CB-CB 4.15Å; A1018-I1033 HydrophobicContact CB-CG2 3.79Å; A1018-V1034 HydrophobicContact CB-CG2 4.43Å; A1018-L1063 HydrophobicContact CB-CD1 3.79Å |
| 1019 | K | 96.4 | Very high | 96.3 | Very high | 70 Ų | 70 | 27.4 Ų | 27.4 | 30% | 0.304 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -55 | -44.9 | 173.2 | -177 | -168.7 | 176.3 | -65.9 | 0 | 111.1 | I1015 I1017 R1022 D1023 I1059 | I1015-K1019 PolarHBondContact O-N 2.78Å; I1017-K1019 PolarHBondContact O-N 2.85Å; K1019-R1022 WeakPolarHBondContact O-CB 3.5Å; K1019-R1022 PolarHBondContact O-N 3.05Å; K1019-D1023 IonicContact NZ-OD1 2.64Å; K1019-D1023 IonicContact NZ-OD2 3.68Å; K1019-D1023 PolarHBondContact NZ-OD2 2.86Å; K1019-D1023 PolarHBondContact O-N 2.84Å; K1019-I1059 HydrophobicContact CB-CG2 4.22Å; K1019-I1059 HydrophobicContact CD-CG2 4.42Å; K1019-I1059 HydrophobicContact CG-CG2 4.48Å |
| 1020 | Q | 94 | Very high | 96.2 | Very high | 13 Ų | 13 | 21 Ų | 21 | 6% | 0.061 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.5 | -38.1 | -179.7 | -170.4 | 73.2 | 67.5 | 0 | 0 | 112.7 | A945 K1016 I1017 A1018 R1022 D1023 F1024 S1148 | A945-Q1020 HydrophobicContact CB-CB 3.63Å; A945-Q1020 HydrophobicContact CB-CG 3.44Å; A945-Q1020 VanDerWaalsContact CB-CG 3.44Å; K1016-Q1020 WeakPolarHBondContact O-CB 3.48Å; K1016-Q1020 PolarHBondContact O-N 2.96Å; K1016-Q1020 VanDerWaalsContact O-N 3.13Å; I1017-Q1020 CarbonylContact O-C 3.5Å; I1017-Q1020 WeakPolarHBondContact O-CA 3.15Å; I1017-Q1020 WeakPolarHBondContact O-CB 3.44Å; I1017-Q1020 PolarHBondContact O-N 3.41Å; A1018-Q1020 VanDerWaalsContact C-N 3.25Å; A1018-Q1020 PolarHBondContact O-N 3.46Å; Q1020-R1022 VanDerWaalsContact C-N 3.31Å; Q1020-D1023 PolarHBondContact O-N 3.35Å; Q1020-F1024 HydrophobicContact CG-CD2 4.06Å; Q1020-F1024 HydrophobicContact CG-CE1 4.15Å; Q1020-F1024 HydrophobicContact CG-CE2 3.5Å; Q1020-F1024 VanDerWaalsContact CG-CE2 3.5Å; Q1020-F1024 HydrophobicContact CG-CZ 3.57Å; Q1020-F1024 WeakPolarHBondContact O-CD2 3.2Å; Q1020-F1024 VanDerWaalsContact O-CG 3.25Å; Q1020-F1024 WeakPolarHBondContact O-CG 3.37Å; Q1020-F1024 PolarHBondContact O-N 2.73Å; Q1020-S1148 VanDerWaalsContact CD-OG 3.29Å; Q1020-S1148 PolarHBondContact NE2-OG 2.9Å; Q1020-S1148 PolarHBondContact OE1-OG 3.4Å |
| 1021 | C | 95.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.5 | -41.9 | 173.3 | -67.1 | 0 | 0 | 0 | 0 | 110.9 | I1017 A1018 F1024 K1025 N1026 M1030 | I1017-C1021 PolarHBondContact O-N 3.21Å; I1017-C1021 PolarHBondContact O-SG 2.78Å; I1017-C1021 VanDerWaalsContact O-SG 3.32Å; A1018-C1021 PolarHBondContact O-N 2.67Å; C1021-F1024 CarbonylContact O-C 3.56Å; C1021-F1024 PolarHBondContact O-N 2.97Å; C1021-K1025 PolarHBondContact O-N 3.42Å; C1021-N1026 CarbonylContact C-O 3.5Å; C1021-N1026 HydrophobicContact CB-CB 4.36Å; C1021-N1026 CarbonylContact O-C 3.49Å; C1021-N1026 WeakPolarHBondContact O-CA 3.34Å; C1021-N1026 PolarHBondContact O-N 3.5Å; C1021-M1030 HydrophobicContact CB-CB 4.04Å |
| 1022 | R | 94.3 | Very high | 95.9 | Very high | 84 Ų | 84 | 22 Ų | 22 | 32% | 0.317 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -56.9 | -50.3 | 171.5 | -168.8 | -169.4 | 64.9 | 173 | 6 | 111.9 | A1018 K1019 Q1020 F1024 K1025 F1027 M1030 L1063 L1066 | A1018-R1022 PolarHBondContact O-N 2.85Å; K1019-R1022 WeakPolarHBondContact O-CB 3.5Å; K1019-R1022 PolarHBondContact O-N 3.05Å; Q1020-R1022 VanDerWaalsContact C-N 3.31Å; R1022-F1024 PolarHBondContact O-N 3.41Å; R1022-K1025 WeakPolarHBondContact O-CA 3.23Å; R1022-K1025 PolarHBondContact O-N 3.38Å; R1022-F1027 HydrophobicContact CG-CE1 4.48Å; R1022-M1030 HydrophobicContact CB-CG 4.3Å; R1022-M1030 HydrophobicContact CB-SD 3.47Å; R1022-M1030 WeakPolarHBondContact CB-SD 3.38Å; R1022-M1030 HydrophobicContact CG-SD 3.62Å; R1022-L1063 HydrophobicContact CB-CD2 4.25Å; R1022-L1063 HydrophobicContact CG-CD2 4.47Å; R1022-L1066 HydrophobicContact CG-CD2 4.21Å |
| 1023 | D | 91.8 | Very high | 95.9 | Very high | 25 Ų | 25 | 18.5 Ų | 18.5 | 13% | 0.134 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.1 | -26.2 | -178.9 | -59.4 | -18.3 | 0 | 0 | 0 | 111.5 | K1019 Q1020 K1025 L1147 | K1019-D1023 IonicContact NZ-OD1 2.64Å; K1019-D1023 IonicContact NZ-OD2 3.68Å; K1019-D1023 PolarHBondContact NZ-OD2 2.86Å; K1019-D1023 PolarHBondContact O-N 2.84Å; Q1020-D1023 PolarHBondContact O-N 3.35Å; D1023-K1025 VanDerWaalsContact C-N 3.28Å; D1023-K1025 PolarHBondContact O-N 3.14Å; D1023-L1147 WeakPolarHBondContact O-CB 3.38Å |
| 1024 | F | 92.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 17 Ų | 17 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 8.8 | 172.4 | -63.1 | -17.4 | 0 | 0 | 0 | 114 | A945 A946 T949 Q1020 C1021 R1022 N1026 Y1139 M1144 | A945-F1024 HydrophobicContact CB-CD2 4.13Å; A945-F1024 HydrophobicContact CB-CE2 3.85Å; A946-F1024 HydrophobicContact CB-CE2 3.85Å; A946-F1024 HydrophobicContact CB-CZ 4.4Å; T949-F1024 HydrophobicContact CG2-CB 4.32Å; Q1020-F1024 HydrophobicContact CG-CD2 4.06Å; Q1020-F1024 HydrophobicContact CG-CE1 4.15Å; Q1020-F1024 HydrophobicContact CG-CE2 3.5Å; Q1020-F1024 VanDerWaalsContact CG-CE2 3.5Å; Q1020-F1024 HydrophobicContact CG-CZ 3.57Å; Q1020-F1024 WeakPolarHBondContact O-CD2 3.2Å; Q1020-F1024 VanDerWaalsContact O-CG 3.25Å; Q1020-F1024 WeakPolarHBondContact O-CG 3.37Å; Q1020-F1024 PolarHBondContact O-N 2.73Å; C1021-F1024 CarbonylContact O-C 3.56Å; C1021-F1024 PolarHBondContact O-N 2.97Å; R1022-F1024 PolarHBondContact O-N 3.41Å; F1024-N1026 PolarHBondContact O-N 3.49Å; F1024-N1026 VanDerWaalsContact O-N 3.16Å; F1024-Y1139 WeakPolarHBondContact O-CE1 3.05Å; F1024-Y1139 PolarHBondContact O-OH 3.12Å; F1024-M1144 HydrophobicContact CB-CE 3.88Å; F1024-M1144 HydrophobicContact CD1-CB 3.62Å; F1024-M1144 HydrophobicContact CD1-CE 4.1Å; F1024-M1144 HydrophobicContact CD1-CG 4.28Å; F1024-M1144 WeakPolarHBondContact CD1-O 3.4Å; F1024-M1144 HydrophobicContact CD2-CE 3.46Å; F1024-M1144 VanDerWaalsContact CD2-CE 3.46Å; F1024-M1144 VanDerWaalsContact CE1-C 3.49Å; F1024-M1144 HydrophobicContact CE1-CB 3.7Å; F1024-M1144 HydrophobicContact CE1-CE 4.49Å; F1024-M1144 WeakPolarHBondContact CE1-O 3.49Å; F1024-M1144 HydrophobicContact CE2-CE 3.92Å; F1024-M1144 HydrophobicContact CG-CB 4.26Å; F1024-M1144 HydrophobicContact CG-CE 3.55Å; F1024-M1144 HydrophobicContact CG-CG 4.5Å; F1024-M1144 HydrophobicContact CZ-CB 4.38Å; F1024-M1144 HydrophobicContact CZ-CE 4.41Å |
| 1025 | K | 94 | Very high | 95.6 | Very high | 37 Ų | 37 | 18.4 Ų | 18.4 | 16% | 0.161 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 29.2 | -174.7 | -52.3 | -179.8 | -178.5 | -178.2 | 0 | 112.3 | C1021 R1022 D1023 F1027 A1083 E1086 S1089 I1090 Y1139 | C1021-K1025 PolarHBondContact O-N 3.42Å; R1022-K1025 WeakPolarHBondContact O-CA 3.23Å; R1022-K1025 PolarHBondContact O-N 3.38Å; D1023-K1025 VanDerWaalsContact C-N 3.28Å; D1023-K1025 PolarHBondContact O-N 3.14Å; K1025-F1027 HydrophobicContact CB-CE2 4.45Å; K1025-A1083 HydrophobicContact CD-CB 4.3Å; K1025-E1086 PolarHBondContact NZ-O 3.49Å; K1025-E1086 IonicContact NZ-OE2 3.19Å; K1025-E1086 PolarHBondContact NZ-OE2 2.92Å; K1025-S1089 PolarHBondContact O-OG 3.38Å; K1025-I1090 PolarHBondContact O-N 2.91Å; K1025-Y1139 PolarHBondContact O-OH 2.91Å |
| 1026 | N | 95.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | B | Isolated β-bridge | trans | -99.8 | 80.5 | 171.5 | -178.9 | 2.7 | 0 | 0 | 0 | 109.1 | T949 C1021 F1024 N1028 S1029 M1030 I1090 | T949-N1026 WeakPolarHBondContact CA-ND2 3.4Å; T949-N1026 HydrophobicContact CG2-CB 3.95Å; T949-N1026 PolarHBondContact OG1-ND2 2.89Å; C1021-N1026 CarbonylContact C-O 3.5Å; C1021-N1026 HydrophobicContact CB-CB 4.36Å; C1021-N1026 CarbonylContact O-C 3.49Å; C1021-N1026 WeakPolarHBondContact O-CA 3.34Å; C1021-N1026 PolarHBondContact O-N 3.5Å; F1024-N1026 PolarHBondContact O-N 3.49Å; F1024-N1026 VanDerWaalsContact O-N 3.16Å; N1026-N1028 PolarHBondContact O-N 2.98Å; N1026-N1028 PolarHBondContact OD1-N 3.44Å; N1026-S1029 WeakPolarHBondContact ND2-CB 3.2Å; N1026-S1029 PolarHBondContact ND2-OG 2.83Å; N1026-S1029 PolarHBondContact OD1-N 2.73Å; N1026-M1030 WeakPolarHBondContact O-CB 3.33Å; N1026-M1030 PolarHBondContact O-N 3.36Å; N1026-I1090 HydrophobicContact CB-CD1 4.04Å |
| 1027 | F | 96.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 14.4 Ų | 14.4 | 5% | 0.048 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.7 | -28.8 | 179.5 | -58.9 | -72.7 | 0 | 0 | 0 | 111.4 | R1022 K1025 M1030 F1031 L1066 Y1076 L1080 A1083 S1089 I1090 L1092 | R1022-F1027 HydrophobicContact CG-CE1 4.48Å; K1025-F1027 HydrophobicContact CB-CE2 4.45Å; F1027-M1030 HydrophobicContact CD1-CE 4.08Å; F1027-M1030 HydrophobicContact CD1-SD 4.38Å; F1027-M1030 WeakPolarHBondContact O-CB 3.36Å; F1027-M1030 PolarHBondContact O-N 3.15Å; F1027-F1031 VanDerWaalsContact O-CB 3.27Å; F1027-F1031 WeakPolarHBondContact O-CB 3.22Å; F1027-F1031 PolarHBondContact O-N 3Å; F1027-L1066 HydrophobicContact CE1-CD2 4.49Å; F1027-Y1076 HydrophobicContact CB-CE2 3.82Å; F1027-Y1076 HydrophobicContact CD1-CD2 4.4Å; F1027-Y1076 HydrophobicContact CD1-CE2 4.23Å; F1027-Y1076 HydrophobicContact CD2-CE2 4.12Å; F1027-Y1076 HydrophobicContact CG-CD2 4.4Å; F1027-Y1076 AromaticContact CG-CE2 3.8Å; F1027-Y1076 HydrophobicContact CG-CE2 3.8Å; F1027-L1080 HydrophobicContact CD2-CD1 4.47Å; F1027-L1080 HydrophobicContact CE2-CD1 4.47Å; F1027-A1083 HydrophobicContact CE2-CB 4.15Å; F1027-A1083 HydrophobicContact CZ-CB 4.49Å; F1027-S1089 WeakPolarHBondContact CE2-OG 3.29Å; F1027-I1090 PolarHBondContact N-O 2.84Å; F1027-I1090 VanDerWaalsContact N-O 3.09Å; F1027-L1092 VanDerWaalsContact C-CD2 3.49Å; F1027-L1092 HydrophobicContact CB-CD2 3.95Å; F1027-L1092 HydrophobicContact CB-CG 4.15Å; F1027-L1092 WeakPolarHBondContact O-CD2 3.39Å |
| 1028 | N | 94.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.2 | -54.7 | -178 | -163 | 55.1 | 0 | 0 | 0 | 112.8 | D952 F983 V987 N1026 M1030 F1031 A1032 I1090 | D952-N1028 PolarHBondContact OD2-ND2 3.11Å; F983-N1028 VanDerWaalsContact CE2-ND2 3.25Å; F983-N1028 WeakPolarHBondContact CE2-ND2 3.3Å; F983-N1028 HydrophobicContact CZ-CB 4.22Å; F983-N1028 WeakPolarHBondContact CZ-ND2 3.35Å; V987-N1028 VanDerWaalsContact CG2-CG 3.4Å; V987-N1028 WeakPolarHBondContact CG2-ND2 3.05Å; V987-N1028 WeakPolarHBondContact CG2-OD1 3.5Å; N1026-N1028 PolarHBondContact O-N 2.98Å; N1026-N1028 PolarHBondContact OD1-N 3.44Å; N1028-M1030 VanDerWaalsContact C-N 3.34Å; N1028-M1030 PolarHBondContact O-N 2.97Å; N1028-F1031 WeakPolarHBondContact O-CB 3.3Å; N1028-F1031 PolarHBondContact O-N 2.98Å; N1028-A1032 PolarHBondContact O-N 3.21Å; N1028-I1090 HydrophobicContact CB-CG2 3.59Å |
| 1029 | S | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.6 | -31 | 176 | -50 | 0 | 0 | 0 | 0 | 112.6 | D952 E990 N1026 F1031 A1032 I1033 | D952-S1029 PolarHBondContact OD2-OG 3.29Å; E990-S1029 PolarHBondContact OE1-OG 3.05Å; E990-S1029 WeakPolarHBondContact OE2-CA 3.36Å; E990-S1029 WeakPolarHBondContact OE2-CB 3.35Å; E990-S1029 PolarHBondContact OE2-OG 3.47Å; N1026-S1029 WeakPolarHBondContact ND2-CB 3.2Å; N1026-S1029 PolarHBondContact ND2-OG 2.83Å; N1026-S1029 PolarHBondContact OD1-N 2.73Å; S1029-F1031 VanDerWaalsContact C-N 3.33Å; S1029-A1032 PolarHBondContact O-N 2.84Å; S1029-I1033 WeakPolarHBondContact O-CB 3.38Å; S1029-I1033 WeakPolarHBondContact O-CD1 3.49Å; S1029-I1033 VanDerWaalsContact O-CG1 3.24Å; S1029-I1033 WeakPolarHBondContact O-CG1 3.22Å; S1029-I1033 PolarHBondContact O-N 2.88Å |
| 1030 | M | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.8 | -49.2 | 172.4 | 177.9 | -164.5 | 84 | 0 | 0 | 110.3 | C1021 R1022 N1026 F1027 N1028 I1033 V1034 L1063 L1066 M1067 | C1021-M1030 HydrophobicContact CB-CB 4.04Å; R1022-M1030 HydrophobicContact CB-CG 4.3Å; R1022-M1030 HydrophobicContact CB-SD 3.47Å; R1022-M1030 WeakPolarHBondContact CB-SD 3.38Å; R1022-M1030 HydrophobicContact CG-SD 3.62Å; N1026-M1030 WeakPolarHBondContact O-CB 3.33Å; N1026-M1030 PolarHBondContact O-N 3.36Å; F1027-M1030 HydrophobicContact CD1-CE 4.08Å; F1027-M1030 HydrophobicContact CD1-SD 4.38Å; F1027-M1030 WeakPolarHBondContact O-CB 3.36Å; F1027-M1030 PolarHBondContact O-N 3.15Å; N1028-M1030 VanDerWaalsContact C-N 3.34Å; N1028-M1030 PolarHBondContact O-N 2.97Å; M1030-I1033 PolarHBondContact O-N 3.15Å; M1030-V1034 WeakPolarHBondContact O-CG2 3.33Å; M1030-V1034 PolarHBondContact O-N 3.34Å; M1030-L1063 HydrophobicContact CG-CD2 4.13Å; M1030-L1063 HydrophobicContact SD-CD2 3.78Å; M1030-L1066 HydrophobicContact CE-CD2 3.78Å; M1030-L1066 HydrophobicContact CE-CG 4.46Å; M1030-L1066 HydrophobicContact SD-CD2 4.04Å; M1030-M1067 HydrophobicContact CE-CE 4.28Å; M1030-M1067 HydrophobicContact CE-CG 3.65Å; M1030-M1067 HydrophobicContact CE-SD 3.28Å; M1030-M1067 WeakPolarHBondContact CE-SD 3.33Å |
| 1031 | F | 95.5 | Very high | 94.2 | Very high | 26 Ų | 26 | 16.6 Ų | 16.6 | 11% | 0.114 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.3 | -49.8 | 176 | 171.5 | -92.5 | 0 | 0 | 0 | 112 | M1 V987 F1027 N1028 S1029 I1033 V1034 C1035 M1067 L1092 P1094 | M1-F1031 HydrophobicContact SD-CE1 4.28Å; M1-F1031 HydrophobicContact SD-CZ 4.37Å; V987-F1031 HydrophobicContact CG1-CD1 4.44Å; F1027-F1031 VanDerWaalsContact O-CB 3.27Å; F1027-F1031 WeakPolarHBondContact O-CB 3.22Å; F1027-F1031 PolarHBondContact O-N 3Å; N1028-F1031 WeakPolarHBondContact O-CB 3.3Å; N1028-F1031 PolarHBondContact O-N 2.98Å; S1029-F1031 VanDerWaalsContact C-N 3.33Å; F1031-I1033 PolarHBondContact O-N 3.2Å; F1031-V1034 PolarHBondContact O-N 3.03Å; F1031-V1034 VanDerWaalsContact O-N 3.17Å; F1031-C1035 WeakPolarHBondContact CE2-SG 3.47Å; F1031-C1035 WeakPolarHBondContact CZ-SG 3.15Å; F1031-C1035 WeakPolarHBondContact O-CB 3.47Å; F1031-C1035 PolarHBondContact O-N 3.39Å; F1031-C1035 PolarHBondContact O-SG 3.19Å; F1031-C1035 VanDerWaalsContact O-SG 3.33Å; F1031-M1067 VanDerWaalsContact CA-SD 3.6Å; F1031-M1067 HydrophobicContact CB-SD 3.61Å; F1031-M1067 HydrophobicContact CD2-CE 4.32Å; F1031-M1067 HydrophobicContact CD2-SD 3.65Å; F1031-M1067 HydrophobicContact CG-SD 4.12Å; F1031-L1092 HydrophobicContact CB-CD2 3.23Å; F1031-L1092 HydrophobicContact CD1-CD2 4.42Å; F1031-L1092 HydrophobicContact CD2-CD1 4.39Å; F1031-L1092 HydrophobicContact CD2-CD2 4.12Å; F1031-L1092 HydrophobicContact CG-CD2 3.7Å; F1031-P1094 HydrophobicContact CE1-CG 3.9Å; F1031-P1094 HydrophobicContact CZ-CG 4.15Å |
| 1032 | A | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -54.2 | -43.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V987 E990 T991 N1028 S1029 G1036 | V987-A1032 HydrophobicContact CG1-CB 4.19Å; E990-A1032 HydrophobicContact CB-CB 3.65Å; T991-A1032 WeakPolarHBondContact CA-O 3.22Å; T991-A1032 WeakPolarHBondContact OG1-CA 3.18Å; T991-A1032 PolarHBondContact OG1-O 3.47Å; N1028-A1032 PolarHBondContact O-N 3.21Å; S1029-A1032 PolarHBondContact O-N 2.84Å; A1032-G1036 PolarHBondContact O-N 2.82Å |
| 1033 | I | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68 | -45.7 | 179.5 | -67.5 | 166.5 | 0 | 0 | 0 | 112 | L948 V994 F1014 I1017 A1018 S1029 M1030 F1031 G1036 L1037 | L948-I1033 HydrophobicContact CD1-CD1 4.46Å; V994-I1033 HydrophobicContact CG2-CB 4.17Å; V994-I1033 HydrophobicContact CG2-CG1 4.01Å; V994-I1033 HydrophobicContact CG2-CG2 4.1Å; F1014-I1033 HydrophobicContact CB-CG2 3.9Å; F1014-I1033 HydrophobicContact CD1-CG2 4.13Å; F1014-I1033 HydrophobicContact CG-CG2 4.41Å; I1017-I1033 HydrophobicContact CB-CD1 4.13Å; I1017-I1033 HydrophobicContact CG2-CD1 3.5Å; A1018-I1033 HydrophobicContact CB-CB 4.15Å; A1018-I1033 HydrophobicContact CB-CG2 3.79Å; S1029-I1033 WeakPolarHBondContact O-CB 3.38Å; S1029-I1033 WeakPolarHBondContact O-CD1 3.49Å; S1029-I1033 VanDerWaalsContact O-CG1 3.24Å; S1029-I1033 WeakPolarHBondContact O-CG1 3.22Å; S1029-I1033 PolarHBondContact O-N 2.88Å; M1030-I1033 PolarHBondContact O-N 3.15Å; F1031-I1033 PolarHBondContact O-N 3.2Å; I1033-G1036 PolarHBondContact O-N 2.88Å; I1033-L1037 WeakPolarHBondContact O-CG 3.44Å; I1033-L1037 PolarHBondContact O-N 2.91Å |
| 1034 | V | 96.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.2 | -47.5 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | A1018 M1030 F1031 G1036 L1037 E1038 L1060 L1063 Q1064 M1067 | A1018-V1034 HydrophobicContact CB-CG2 4.43Å; M1030-V1034 WeakPolarHBondContact O-CG2 3.33Å; M1030-V1034 PolarHBondContact O-N 3.34Å; F1031-V1034 PolarHBondContact O-N 3.03Å; F1031-V1034 VanDerWaalsContact O-N 3.17Å; V1034-G1036 PolarHBondContact O-N 3.14Å; V1034-L1037 WeakPolarHBondContact O-CB 3.43Å; V1034-L1037 PolarHBondContact O-N 3.19Å; V1034-E1038 HydrophobicContact CG1-CG 4.41Å; V1034-E1038 WeakPolarHBondContact O-CG 3.26Å; V1034-E1038 PolarHBondContact O-N 3.16Å; V1034-L1060 HydrophobicContact CG1-CD1 4.28Å; V1034-L1060 HydrophobicContact CG2-CD1 4.21Å; V1034-L1063 HydrophobicContact CG2-CB 4.11Å; V1034-L1063 HydrophobicContact CG2-CD1 4.39Å; V1034-Q1064 HydrophobicContact CG1-CG 3.97Å; V1034-M1067 HydrophobicContact CB-CE 3.53Å; V1034-M1067 HydrophobicContact CG1-CE 3.52Å; V1034-M1067 HydrophobicContact CG2-CE 3.77Å |
| 1035 | C | 93.7 | Very high | 94.4 | Very high | 30 Ų | 30 | 20.2 Ų | 20.2 | 20% | 0.203 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59 | -36.4 | 175.2 | -69 | 0 | 0 | 0 | 0 | 112.2 | T991 F1031 E1038 K1039 | T991-C1035 HydrophobicContact CG2-CB 3.93Å; F1031-C1035 WeakPolarHBondContact CE2-SG 3.47Å; F1031-C1035 WeakPolarHBondContact CZ-SG 3.15Å; F1031-C1035 WeakPolarHBondContact O-CB 3.47Å; F1031-C1035 PolarHBondContact O-N 3.39Å; F1031-C1035 PolarHBondContact O-SG 3.19Å; F1031-C1035 VanDerWaalsContact O-SG 3.33Å; C1035-E1038 CarbonylContact O-C 3.52Å; C1035-E1038 PolarHBondContact O-N 3.4Å; C1035-K1039 PolarHBondContact O-N 3.47Å; C1035-K1039 VanDerWaalsContact O-N 3.1Å |
| 1036 | G | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64 | -38.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T991 A1032 I1033 V1034 E1038 K1039 | T991-G1036 WeakPolarHBondContact O-CA 3.45Å; A1032-G1036 PolarHBondContact O-N 2.82Å; I1033-G1036 PolarHBondContact O-N 2.88Å; V1034-G1036 PolarHBondContact O-N 3.14Å; G1036-E1038 VanDerWaalsContact C-N 3.3Å; G1036-K1039 PolarHBondContact O-N 3.24Å |
| 1037 | L | 97.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.6 | -27.3 | 172.9 | -68.1 | 175.4 | 0 | 0 | 0 | 112.6 | V994 V1011 F1014 I1015 I1033 V1034 V1042 W1049 L1060 | V994-L1037 HydrophobicContact CG1-CD2 3.66Å; V994-L1037 HydrophobicContact CG1-CG 3.84Å; V1011-L1037 HydrophobicContact CG1-CD2 4.18Å; F1014-L1037 HydrophobicContact CB-CD1 4.36Å; F1014-L1037 HydrophobicContact CB-CD2 4.31Å; I1015-L1037 HydrophobicContact CG1-CD1 3.87Å; I1033-L1037 WeakPolarHBondContact O-CG 3.44Å; I1033-L1037 PolarHBondContact O-N 2.91Å; V1034-L1037 WeakPolarHBondContact O-CB 3.43Å; V1034-L1037 PolarHBondContact O-N 3.19Å; L1037-V1042 HydrophobicContact CD2-CG1 4.35Å; L1037-V1042 WeakPolarHBondContact O-CG1 3.37Å; L1037-W1049 HydrophobicContact CB-CH2 4.22Å; L1037-W1049 HydrophobicContact CB-CZ2 4.46Å; L1037-W1049 HydrophobicContact CD2-CH2 4.33Å; L1037-L1060 HydrophobicContact CD1-CD1 4.05Å; L1037-L1060 HydrophobicContact CD1-CD2 4.45Å |
| 1038 | E | 92.1 | Very high | 94.6 | Very high | 60 Ų | 60 | 28.1 Ų | 28.1 | 28% | 0.28 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -0.3 | 177.1 | -72.8 | -174 | 164.4 | 0 | 0 | 114.1 | V1034 C1035 G1036 R1043 Q1064 | V1034-E1038 HydrophobicContact CG1-CG 4.41Å; V1034-E1038 WeakPolarHBondContact O-CG 3.26Å; V1034-E1038 PolarHBondContact O-N 3.16Å; C1035-E1038 CarbonylContact O-C 3.52Å; C1035-E1038 PolarHBondContact O-N 3.4Å; G1036-E1038 VanDerWaalsContact C-N 3.3Å; E1038-R1043 PolarHBondContact O-NH1 3.06Å; E1038-R1043 PolarHBondContact O-NH2 3.46Å; E1038-Q1064 WeakPolarHBondContact OE1-CG 3.35Å; E1038-Q1064 PolarHBondContact OE1-NE2 2.87Å |
| 1039 | K | 88.4 | Confident | 94.7 | Very high | 36 Ų | 36 | 29.9 Ų | 29.9 | 16% | 0.157 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -62.1 | 141.2 | 172.5 | -77.7 | 179.1 | 177.8 | -75.7 | 0 | 110.3 | T991 W992 A995 C1035 G1036 C1041 V1042 R1043 | T991-K1039 HydrophobicContact CG2-CD 4.48Å; T991-K1039 VanDerWaalsContact CG2-CE 3.4Å; W992-K1039 HydrophobicContact CE3-CD 3.75Å; W992-K1039 VanDerWaalsContact CE3-CE 3.4Å; W992-K1039 HydrophobicContact CH2-CD 4.39Å; W992-K1039 HydrophobicContact CZ3-CD 3.61Å; W992-K1039 VanDerWaalsContact CZ3-CE 3.43Å; A995-K1039 HydrophobicContact CB-CD 3.84Å; C1035-K1039 PolarHBondContact O-N 3.47Å; C1035-K1039 VanDerWaalsContact O-N 3.1Å; G1036-K1039 PolarHBondContact O-N 3.24Å; K1039-C1041 PolarHBondContact O-N 3.31Å; K1039-C1041 VanDerWaalsContact O-N 3.15Å; K1039-V1042 PolarHBondContact O-N 3.04Å; K1039-R1043 PolarHBondContact O-N 3.25Å |
| 1040 | P | 88.2 | Confident | 94.6 | Very high | 33 Ų | 33 | 35 Ų | 35 | 21% | 0.214 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -51.6 | -40.4 | -178.4 | -28.9 | 35.4 | 0 | 0 | 0 | 113.8 | V1042 R1043 R1044 | P1040-V1042 VanDerWaalsContact C-N 3.3Å; P1040-V1042 PolarHBondContact O-N 3.48Å; P1040-R1043 PolarHBondContact O-N 3.27Å; P1040-R1044 PolarHBondContact O-N 3.11Å |
| 1041 | C | 90.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.7 | -44.1 | 175.1 | 59.6 | 0 | 0 | 0 | 0 | 112 | K1039 R1044 L1214 D1215 S1218 | K1039-C1041 PolarHBondContact O-N 3.31Å; K1039-C1041 VanDerWaalsContact O-N 3.15Å; C1041-R1044 PolarHBondContact O-NH1 3.3Å; C1041-L1214 HydrophobicContact CB-CB 4.37Å; C1041-D1215 WeakPolarHBondContact CB-OD1 3.31Å; C1041-S1218 WeakPolarHBondContact CA-OG 3.28Å; C1041-S1218 WeakPolarHBondContact CB-OG 3.45Å; C1041-S1218 PolarHBondContact O-OG 2.95Å |
| 1042 | V | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -80.1 | -44.3 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | A995 V998 L1037 K1039 P1040 R1044 L1045 W1049 | A995-V1042 HydrophobicContact CB-CG2 3.99Å; V998-V1042 HydrophobicContact CB-CG1 4.5Å; V998-V1042 HydrophobicContact CB-CG2 4.17Å; V998-V1042 HydrophobicContact CG1-CG1 4Å; V998-V1042 HydrophobicContact CG1-CG2 4.25Å; L1037-V1042 HydrophobicContact CD2-CG1 4.35Å; L1037-V1042 WeakPolarHBondContact O-CG1 3.37Å; K1039-V1042 PolarHBondContact O-N 3.04Å; P1040-V1042 VanDerWaalsContact C-N 3.3Å; P1040-V1042 PolarHBondContact O-N 3.48Å; V1042-R1044 VanDerWaalsContact C-N 3.28Å; V1042-R1044 PolarHBondContact O-N 3.49Å; V1042-L1045 WeakPolarHBondContact O-CB 3.48Å; V1042-L1045 PolarHBondContact O-N 3.35Å; V1042-W1049 HydrophobicContact CG1-CZ2 3.95Å; V1042-W1049 PolarHBondContact O-NE1 3.26Å |
| 1043 | R | 93.7 | Very high | 94.8 | Very high | 127 Ų | 127 | 43 Ų | 43 | 48% | 0.479 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.8 | -38.2 | -174.7 | -169.9 | -172.1 | -67.1 | 111.8 | -5.8 | 112.5 | E1038 K1039 P1040 L1045 W1049 | E1038-R1043 PolarHBondContact O-NH1 3.06Å; E1038-R1043 PolarHBondContact O-NH2 3.46Å; K1039-R1043 PolarHBondContact O-N 3.25Å; P1040-R1043 PolarHBondContact O-N 3.27Å; R1043-L1045 PolarHBondContact O-N 2.95Å; R1043-W1049 PolarHBondContact O-NE1 3.41Å |
| 1044 | R | 94.3 | Very high | 94.7 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 22% | 0.223 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -8.6 | -175.5 | 102 | -142.6 | -169.4 | -55.4 | -23.9 | 114.2 | P1040 C1041 V1042 H1046 S1218 L1219 E1222 | P1040-R1044 PolarHBondContact O-N 3.11Å; C1041-R1044 PolarHBondContact O-NH1 3.3Å; V1042-R1044 VanDerWaalsContact C-N 3.28Å; V1042-R1044 PolarHBondContact O-N 3.49Å; R1044-H1046 PolarHBondContact O-CD2 3.28Å; R1044-H1046 PolarHBondContact O-N 2.81Å; R1044-S1218 VanDerWaalsContact CZ-C 3.48Å; R1044-S1218 PolarHBondContact NH1-O 3.12Å; R1044-S1218 PolarHBondContact NH1-OG 3.24Å; R1044-S1218 PolarHBondContact NH2-O 2.82Å; R1044-L1219 VanDerWaalsContact NH2-CA 3.3Å; R1044-L1219 VanDerWaalsContact NH2-N 3.17Å; R1044-E1222 PolarHBondContact NH2-O 2.67Å |
| 1045 | L | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -74.7 | 61.5 | -177.2 | -64.6 | 174.6 | 0 | 0 | 0 | 111.5 | V998 V1042 R1043 N1047 T1048 W1049 V1221 E1222 | V998-L1045 HydrophobicContact CG1-CD1 3.74Å; V1042-L1045 WeakPolarHBondContact O-CB 3.48Å; V1042-L1045 PolarHBondContact O-N 3.35Å; R1043-L1045 PolarHBondContact O-N 2.95Å; L1045-N1047 VanDerWaalsContact C-N 3.31Å; L1045-N1047 PolarHBondContact O-N 2.81Å; L1045-T1048 WeakPolarHBondContact O-CA 3.05Å; L1045-T1048 VanDerWaalsContact O-CB 3.23Å; L1045-T1048 WeakPolarHBondContact O-CB 2.73Å; L1045-T1048 PolarHBondContact O-N 3.49Å; L1045-W1049 PolarHBondContact O-N 2.74Å; L1045-V1221 HydrophobicContact CD2-CG2 3.73Å; L1045-E1222 VanDerWaalsContact CA-OE2 3.29Å; L1045-E1222 WeakPolarHBondContact CA-OE2 3.47Å; L1045-E1222 HydrophobicContact CD2-CB 3.54Å; L1045-E1222 HydrophobicContact CD2-CG 4.42Å | ||
| 1046 | H | 95.5 | Very high | 94.9 | Very high | 127 Ų | 127 | 54 Ų | 54 | 59% | 0.588 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -54.3 | -44.7 | -171.8 | -65.6 | -71.4 | 0 | 0 | 0 | 112.4 | R1044 T1048 W1049 D1050 E1222 | R1044-H1046 PolarHBondContact O-CD2 3.28Å; R1044-H1046 PolarHBondContact O-N 2.81Å; H1046-T1048 PolarHBondContact O-N 3.24Å; H1046-T1048 VanDerWaalsContact O-N 3.16Å; H1046-W1049 PolarHBondContact O-N 3.4Å; H1046-W1049 VanDerWaalsContact O-N 3.12Å; H1046-D1050 WeakPolarHBondContact O-CB 3.46Å; H1046-D1050 PolarHBondContact O-N 2.9Å; H1046-E1222 PolarHBondContact N-OE1 3.2Å |
| 1047 | N | 95.9 | Very high | 95 | Very high | 88 Ų | 88 | 58.1 Ų | 58.1 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -28.2 | 178.3 | -67.3 | -59.3 | 0 | 0 | 0 | 112.6 | L1004 L1045 E1222 | L1004-N1047 HydrophobicContact CD1-CB 3.83Å; L1045-N1047 VanDerWaalsContact C-N 3.31Å; L1045-N1047 PolarHBondContact O-N 2.81Å; N1047-E1222 VanDerWaalsContact CB-OE1 3.23Å; N1047-E1222 WeakPolarHBondContact CB-OE1 3.41Å; N1047-E1222 VanDerWaalsContact CG-OE1 3.25Å; N1047-E1222 PolarHBondContact N-OE1 2.87Å; N1047-E1222 PolarHBondContact ND2-OE1 2.95Å |
| 1048 | T | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75.2 | -48.1 | 175.5 | -52.1 | 0 | 0 | 0 | 0 | 110.6 | R1007 A1008 V1011 L1045 H1046 D1050 K1051 V1052 E1222 | R1007-T1048 HydrophobicContact CB-CG2 4.09Å; R1007-T1048 HydrophobicContact CG-CG2 3.73Å; R1007-T1048 PolarHBondContact NE-OG1 2.78Å; R1007-T1048 PolarHBondContact NH2-OG1 3Å; R1007-T1048 VanDerWaalsContact NH2-OG1 3.15Å; A1008-T1048 HydrophobicContact CB-CG2 4.44Å; V1011-T1048 HydrophobicContact CG2-CG2 4.23Å; L1045-T1048 WeakPolarHBondContact O-CA 3.05Å; L1045-T1048 VanDerWaalsContact O-CB 3.23Å; L1045-T1048 WeakPolarHBondContact O-CB 2.73Å; L1045-T1048 PolarHBondContact O-N 3.49Å; H1046-T1048 PolarHBondContact O-N 3.24Å; H1046-T1048 VanDerWaalsContact O-N 3.16Å; T1048-D1050 VanDerWaalsContact C-N 3.29Å; T1048-D1050 PolarHBondContact O-N 3.36Å; T1048-K1051 PolarHBondContact O-N 2.87Å; T1048-K1051 VanDerWaalsContact O-N 3.14Å; T1048-V1052 PolarHBondContact O-N 3.48Å; T1048-E1222 PolarHBondContact OG1-OE2 2.65Å |
| 1049 | W | 97.3 | Very high | 95.3 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -31.3 | 178.7 | -72.5 | 110.1 | 0 | 0 | 0 | 113.1 | V1011 L1037 V1042 R1043 L1045 H1046 K1051 V1052 R1057 L1060 | V1011-W1049 HydrophobicContact CG1-CE3 4.1Å; V1011-W1049 HydrophobicContact CG1-CH2 3.73Å; V1011-W1049 HydrophobicContact CG1-CZ2 4.39Å; V1011-W1049 HydrophobicContact CG1-CZ3 3.56Å; L1037-W1049 HydrophobicContact CB-CH2 4.22Å; L1037-W1049 HydrophobicContact CB-CZ2 4.46Å; L1037-W1049 HydrophobicContact CD2-CH2 4.33Å; V1042-W1049 HydrophobicContact CG1-CZ2 3.95Å; V1042-W1049 PolarHBondContact O-NE1 3.26Å; R1043-W1049 PolarHBondContact O-NE1 3.41Å; L1045-W1049 PolarHBondContact O-N 2.74Å; H1046-W1049 PolarHBondContact O-N 3.4Å; H1046-W1049 VanDerWaalsContact O-N 3.12Å; W1049-K1051 VanDerWaalsContact C-N 3.28Å; W1049-K1051 PolarHBondContact O-N 2.94Å; W1049-V1052 HydrophobicContact CE3-CG2 4.44Å; W1049-V1052 WeakPolarHBondContact O-CB 3.31Å; W1049-V1052 PolarHBondContact O-N 3.35Å; W1049-V1052 VanDerWaalsContact O-N 3.17Å; W1049-R1057 PolarHBondContact O-NH1 3.28Å; W1049-L1060 HydrophobicContact CH2-CD2 3.59Å; W1049-L1060 HydrophobicContact CZ3-CD2 3.63Å |
| 1050 | D | 96.3 | Very high | 95.7 | Very high | 107 Ų | 107 | 62.1 Ų | 62.1 | 57% | 0.572 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.5 | -29.8 | 174.1 | -72.1 | -21 | 0 | 0 | 0 | 112.9 | H1046 T1048 | H1046-D1050 WeakPolarHBondContact O-CB 3.46Å; H1046-D1050 PolarHBondContact O-N 2.9Å; T1048-D1050 VanDerWaalsContact C-N 3.29Å; T1048-D1050 PolarHBondContact O-N 3.36Å |
| 1051 | K | 97.3 | Very high | 96.2 | Very high | 138 Ų | 138 | 65.9 Ų | 65.9 | 60% | 0.6 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -9.3 | 175.1 | -62.8 | -52.4 | 178.8 | -174.2 | 0 | 113.7 | L1004 A1008 T1048 W1049 S1053 | L1004-K1051 HydrophobicContact CD2-CB 4.5Å; L1004-K1051 HydrophobicContact CD2-CD 4.39Å; L1004-K1051 HydrophobicContact CD2-CG 3.53Å; A1008-K1051 HydrophobicContact CB-CB 3.78Å; T1048-K1051 PolarHBondContact O-N 2.87Å; T1048-K1051 VanDerWaalsContact O-N 3.14Å; W1049-K1051 VanDerWaalsContact C-N 3.28Å; W1049-K1051 PolarHBondContact O-N 2.94Å; K1051-S1053 PolarHBondContact O-N 3.21Å |
| 1052 | V | 97.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -78.9 | 115.5 | 170.6 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | A1008 V1011 I1015 T1048 W1049 R1057 | A1008-V1052 HydrophobicContact CB-CG2 4.25Å; V1011-V1052 HydrophobicContact CB-CG2 4.02Å; V1011-V1052 HydrophobicContact CG1-CG2 3.82Å; I1015-V1052 HydrophobicContact CD1-CG1 4.34Å; T1048-V1052 PolarHBondContact O-N 3.48Å; W1049-V1052 HydrophobicContact CE3-CG2 4.44Å; W1049-V1052 WeakPolarHBondContact O-CB 3.31Å; W1049-V1052 PolarHBondContact O-N 3.35Å; W1049-V1052 VanDerWaalsContact O-N 3.17Å; V1052-R1057 HydrophobicContact CB-CG 4.46Å; V1052-R1057 HydrophobicContact CG1-CG 4.12Å |
| 1053 | S | 95.9 | Very high | 96.4 | Very high | 55 Ų | 55 | 69.5 Ų | 69.5 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | trans | -58.2 | 143.3 | -178.4 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | K1051 K1055 Y1056 | K1051-S1053 PolarHBondContact O-N 3.21Å; S1053-K1055 PolarHBondContact O-N 3.36Å; S1053-Y1056 PolarHBondContact O-N 3.44Å; S1053-Y1056 VanDerWaalsContact OG-CD2 3.26Å; S1053-Y1056 WeakPolarHBondContact OG-CD2 3.14Å | ||
| 1054 | S | 95.8 | Very high | 96.4 | Very high | 86 Ų | 86 | 66.4 Ų | 66.4 | 60% | 0.601 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -44.8 | -42 | -178.9 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | Y1056 R1057 K1058 | S1054-Y1056 PolarHBondContact O-N 3.25Å; S1054-Y1056 VanDerWaalsContact O-N 3.14Å; S1054-R1057 PolarHBondContact O-N 3.11Å; S1054-K1058 PolarHBondContact O-N 2.99Å |
| 1055 | K | 97.6 | Very high | 96.2 | Very high | 148 Ų | 148 | 67.9 Ų | 67.9 | 64% | 0.643 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -49.3 | -40.5 | 176 | 178.6 | 172.2 | -179.5 | 165.2 | 0 | 114 | S1053 I1059 | S1053-K1055 PolarHBondContact O-N 3.36Å; K1055-I1059 WeakPolarHBondContact O-CD1 3.42Å; K1055-I1059 WeakPolarHBondContact O-CG1 3.43Å; K1055-I1059 PolarHBondContact O-N 3.04Å |
| 1056 | Y | 97.8 | Very high | 96 | Very high | 29 Ų | 29 | 68.5 Ų | 68.5 | 11% | 0.114 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -85.1 | -27.3 | -179.7 | -66.7 | -84.1 | 0 | 0 | 0 | 112.5 | K1012 I1015 K1016 S1053 S1054 I1059 L1060 | K1012-Y1056 HydrophobicContact CD-CD2 3.86Å; K1012-Y1056 HydrophobicContact CD-CE1 4.49Å; K1012-Y1056 HydrophobicContact CD-CE2 3.64Å; K1012-Y1056 HydrophobicContact CD-CG 4.42Å; K1012-Y1056 WeakPolarHBondContact CE-OH 3.34Å; K1012-Y1056 HydrophobicContact CG-CD1 4.01Å; K1012-Y1056 HydrophobicContact CG-CD2 3.95Å; K1012-Y1056 HydrophobicContact CG-CE1 3.97Å; K1012-Y1056 HydrophobicContact CG-CE2 3.96Å; K1012-Y1056 HydrophobicContact CG-CG 4Å; I1015-Y1056 HydrophobicContact CG2-CD1 4.19Å; K1016-Y1056 HydrophobicContact CD-CE1 4.12Å; K1016-Y1056 VanDerWaalsContact CE-CZ 3.48Å; K1016-Y1056 WeakPolarHBondContact CE-OH 3.45Å; K1016-Y1056 HydrophobicContact CG-CD1 4.3Å; K1016-Y1056 HydrophobicContact CG-CE1 3.69Å; K1016-Y1056 PolarHBondContact NZ-OH 3.47Å; S1053-Y1056 PolarHBondContact O-N 3.44Å; S1053-Y1056 VanDerWaalsContact OG-CD2 3.26Å; S1053-Y1056 WeakPolarHBondContact OG-CD2 3.14Å; S1054-Y1056 PolarHBondContact O-N 3.25Å; S1054-Y1056 VanDerWaalsContact O-N 3.14Å; Y1056-I1059 HydrophobicContact CD1-CD1 4.19Å; Y1056-I1059 PolarHBondContact O-N 2.76Å; Y1056-L1060 PolarHBondContact O-N 2.84Å |
| 1057 | R | 96.8 | Very high | 95.4 | Very high | 86 Ų | 86 | 63.2 Ų | 63.2 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 172.1 | -65 | -170.1 | -67 | -156.3 | 4.2 | 110.6 | W1049 V1052 S1054 I1059 L1060 E1061 | W1049-R1057 PolarHBondContact O-NH1 3.28Å; V1052-R1057 HydrophobicContact CB-CG 4.46Å; V1052-R1057 HydrophobicContact CG1-CG 4.12Å; S1054-R1057 PolarHBondContact O-N 3.11Å; R1057-I1059 PolarHBondContact O-N 2.93Å; R1057-L1060 WeakPolarHBondContact O-CA 3.5Å; R1057-L1060 WeakPolarHBondContact O-CB 3.37Å; R1057-L1060 PolarHBondContact O-N 3.11Å; R1057-E1061 WeakPolarHBondContact O-CG 3.42Å; R1057-E1061 PolarHBondContact O-N 2.92Å |
| 1058 | K | 97.7 | Very high | 94.8 | Very high | 134 Ų | 134 | 61.6 Ų | 61.6 | 58% | 0.583 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -57.5 | -43.8 | 172.5 | -172.4 | 163.4 | -176.2 | 166.3 | 0 | 112.9 | S1054 L1060 E1061 D1062 | S1054-K1058 PolarHBondContact O-N 2.99Å; K1058-L1060 VanDerWaalsContact C-N 3.29Å; K1058-L1060 PolarHBondContact O-N 2.95Å; K1058-E1061 WeakPolarHBondContact O-CB 3.22Å; K1058-E1061 PolarHBondContact O-N 2.81Å; K1058-D1062 PolarHBondContact O-N 3.19Å |
| 1059 | I | 97.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 65.9 Ų | 65.9 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.9 | -38 | 175.1 | -64.7 | 164.7 | 0 | 0 | 0 | 111.5 | I1015 K1019 K1055 Y1056 R1057 L1063 | I1015-I1059 HydrophobicContact CG2-CB 4.02Å; I1015-I1059 HydrophobicContact CG2-CG2 3.76Å; K1019-I1059 HydrophobicContact CB-CG2 4.22Å; K1019-I1059 HydrophobicContact CD-CG2 4.42Å; K1019-I1059 HydrophobicContact CG-CG2 4.48Å; K1055-I1059 WeakPolarHBondContact O-CD1 3.42Å; K1055-I1059 WeakPolarHBondContact O-CG1 3.43Å; K1055-I1059 PolarHBondContact O-N 3.04Å; Y1056-I1059 HydrophobicContact CD1-CD1 4.19Å; Y1056-I1059 PolarHBondContact O-N 2.76Å; R1057-I1059 PolarHBondContact O-N 2.93Å; I1059-L1063 HydrophobicContact CG2-CD1 4.31Å; I1059-L1063 VanDerWaalsContact O-CG 3.24Å; I1059-L1063 WeakPolarHBondContact O-CG 3.34Å; I1059-L1063 PolarHBondContact O-N 2.65Å; I1059-L1063 VanDerWaalsContact O-N 3.17Å |
| 1060 | L | 97.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67 | -44.4 | 176 | 178.4 | 62 | 0 | 0 | 0 | 111 | I1015 V1034 L1037 W1049 Y1056 R1057 K1058 D1062 L1063 Q1064 | I1015-L1060 HydrophobicContact CD1-CB 4.26Å; I1015-L1060 HydrophobicContact CD1-CD2 4.46Å; I1015-L1060 HydrophobicContact CG1-CB 4.36Å; V1034-L1060 HydrophobicContact CG1-CD1 4.28Å; V1034-L1060 HydrophobicContact CG2-CD1 4.21Å; L1037-L1060 HydrophobicContact CD1-CD1 4.05Å; L1037-L1060 HydrophobicContact CD1-CD2 4.45Å; W1049-L1060 HydrophobicContact CH2-CD2 3.59Å; W1049-L1060 HydrophobicContact CZ3-CD2 3.63Å; Y1056-L1060 PolarHBondContact O-N 2.84Å; R1057-L1060 WeakPolarHBondContact O-CA 3.5Å; R1057-L1060 WeakPolarHBondContact O-CB 3.37Å; R1057-L1060 PolarHBondContact O-N 3.11Å; K1058-L1060 VanDerWaalsContact C-N 3.29Å; K1058-L1060 PolarHBondContact O-N 2.95Å; L1060-D1062 VanDerWaalsContact C-N 3.33Å; L1060-D1062 PolarHBondContact O-N 3.14Å; L1060-L1063 WeakPolarHBondContact O-CB 3.41Å; L1060-L1063 PolarHBondContact O-N 3.29Å; L1060-L1063 VanDerWaalsContact O-N 3.1Å; L1060-Q1064 HydrophobicContact CD1-CG 4.35Å; L1060-Q1064 HydrophobicContact CG-CG 4.4Å; L1060-Q1064 VanDerWaalsContact O-CG 3.27Å; L1060-Q1064 WeakPolarHBondContact O-CG 3.44Å; L1060-Q1064 PolarHBondContact O-N 2.82Å |
| 1061 | E | 97.1 | Very high | 92.3 | Very high | 111 Ų | 111 | 70.3 Ų | 70.3 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.7 | -43.8 | 175.5 | -70.3 | 158.2 | -160.6 | 0 | 0 | 111.4 | R1057 K1058 L1063 Q1064 L1065 | R1057-E1061 WeakPolarHBondContact O-CG 3.42Å; R1057-E1061 PolarHBondContact O-N 2.92Å; K1058-E1061 WeakPolarHBondContact O-CB 3.22Å; K1058-E1061 PolarHBondContact O-N 2.81Å; E1061-L1063 VanDerWaalsContact C-N 3.32Å; E1061-L1063 PolarHBondContact O-N 3.11Å; E1061-Q1064 WeakPolarHBondContact O-CB 3.47Å; E1061-Q1064 PolarHBondContact O-N 2.81Å; E1061-L1065 WeakPolarHBondContact O-CB 3.45Å; E1061-L1065 PolarHBondContact O-N 2.83Å |
| 1062 | D | 96.6 | Very high | 91.4 | Very high | 77 Ų | 77 | 66.9 Ų | 66.9 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 175.4 | -63.1 | -23.6 | 0 | 0 | 0 | 112 | K1058 L1060 L1066 | K1058-D1062 PolarHBondContact O-N 3.19Å; L1060-D1062 VanDerWaalsContact C-N 3.33Å; L1060-D1062 PolarHBondContact O-N 3.14Å; D1062-L1066 PolarHBondContact O-N 2.81Å |
| 1063 | L | 95.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.8 | -35.8 | 176.7 | -68 | 171.8 | 0 | 0 | 0 | 112.1 | A1018 R1022 M1030 V1034 I1059 L1060 E1061 | A1018-L1063 HydrophobicContact CB-CD1 3.79Å; R1022-L1063 HydrophobicContact CB-CD2 4.25Å; R1022-L1063 HydrophobicContact CG-CD2 4.47Å; M1030-L1063 HydrophobicContact CG-CD2 4.13Å; M1030-L1063 HydrophobicContact SD-CD2 3.78Å; V1034-L1063 HydrophobicContact CG2-CB 4.11Å; V1034-L1063 HydrophobicContact CG2-CD1 4.39Å; I1059-L1063 HydrophobicContact CG2-CD1 4.31Å; I1059-L1063 VanDerWaalsContact O-CG 3.24Å; I1059-L1063 WeakPolarHBondContact O-CG 3.34Å; I1059-L1063 PolarHBondContact O-N 2.65Å; I1059-L1063 VanDerWaalsContact O-N 3.17Å; L1060-L1063 WeakPolarHBondContact O-CB 3.41Å; L1060-L1063 PolarHBondContact O-N 3.29Å; L1060-L1063 VanDerWaalsContact O-N 3.1Å; E1061-L1063 VanDerWaalsContact C-N 3.32Å; E1061-L1063 PolarHBondContact O-N 3.11Å |
| 1064 | Q | 93 | Very high | 90.1 | Very high | 62 Ų | 62 | 68 Ų | 68 | 29% | 0.29 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 175 | -71.1 | 170.7 | -47.2 | 0 | 0 | 110.7 | V1034 E1038 L1060 E1061 L1066 M1067 D1068 | V1034-Q1064 HydrophobicContact CG1-CG 3.97Å; E1038-Q1064 WeakPolarHBondContact OE1-CG 3.35Å; E1038-Q1064 PolarHBondContact OE1-NE2 2.87Å; L1060-Q1064 HydrophobicContact CD1-CG 4.35Å; L1060-Q1064 HydrophobicContact CG-CG 4.4Å; L1060-Q1064 VanDerWaalsContact O-CG 3.27Å; L1060-Q1064 WeakPolarHBondContact O-CG 3.44Å; L1060-Q1064 PolarHBondContact O-N 2.82Å; E1061-Q1064 WeakPolarHBondContact O-CB 3.47Å; E1061-Q1064 PolarHBondContact O-N 2.81Å; Q1064-L1066 PolarHBondContact O-N 2.89Å; Q1064-M1067 CarbonylContact O-C 3.6Å; Q1064-M1067 PolarHBondContact O-N 2.78Å; Q1064-D1068 PolarHBondContact O-N 2.83Å; Q1064-D1068 VanDerWaalsContact O-N 3.11Å |
| 1065 | L | 90.7 | Very high | 89.6 | Confident | 89 Ų | 89 | 67.9 Ų | 67.9 | 47% | 0.466 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.6 | -35.3 | 177.7 | -171 | 66.3 | 0 | 0 | 0 | 112.4 | E1061 M1067 D1068 K1075 | E1061-L1065 WeakPolarHBondContact O-CB 3.45Å; E1061-L1065 PolarHBondContact O-N 2.83Å; L1065-M1067 VanDerWaalsContact C-N 3.28Å; L1065-M1067 PolarHBondContact O-N 2.78Å; L1065-D1068 WeakPolarHBondContact O-CB 3.28Å; L1065-K1075 HydrophobicContact CG-CD 4.32Å; L1065-K1075 VanDerWaalsContact CG-NZ 3.34Å; L1065-K1075 VanDerWaalsContact O-CD 3.25Å; L1065-K1075 WeakPolarHBondContact O-CD 3.21Å |
| 1066 | L | 89.3 | Confident | 89.4 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.8 | -33.6 | 175.1 | 175 | 61.2 | 0 | 0 | 0 | 112.5 | R1022 F1027 M1030 D1062 Q1064 Y1076 H1079 | R1022-L1066 HydrophobicContact CG-CD2 4.21Å; F1027-L1066 HydrophobicContact CE1-CD2 4.49Å; M1030-L1066 HydrophobicContact CE-CD2 3.78Å; M1030-L1066 HydrophobicContact CE-CG 4.46Å; M1030-L1066 HydrophobicContact SD-CD2 4.04Å; D1062-L1066 PolarHBondContact O-N 2.81Å; Q1064-L1066 PolarHBondContact O-N 2.89Å; L1066-Y1076 WeakPolarHBondContact O-CB 3.44Å; L1066-Y1076 PolarHBondContact O-N 3.13Å; L1066-H1079 HydrophobicContact CD1-CB 4.23Å; L1066-H1079 WeakPolarHBondContact CD1-CD2 3.48Å |
| 1067 | M | 84.6 | Confident | 89.1 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 25.7 | -176.8 | -56.9 | -175.8 | -57.3 | 0 | 0 | 112.4 | M1030 F1031 V1034 Q1064 L1065 P1069 | M1030-M1067 HydrophobicContact CE-CE 4.28Å; M1030-M1067 HydrophobicContact CE-CG 3.65Å; M1030-M1067 HydrophobicContact CE-SD 3.28Å; M1030-M1067 WeakPolarHBondContact CE-SD 3.33Å; F1031-M1067 VanDerWaalsContact CA-SD 3.6Å; F1031-M1067 HydrophobicContact CB-SD 3.61Å; F1031-M1067 HydrophobicContact CD2-CE 4.32Å; F1031-M1067 HydrophobicContact CD2-SD 3.65Å; F1031-M1067 HydrophobicContact CG-SD 4.12Å; V1034-M1067 HydrophobicContact CB-CE 3.53Å; V1034-M1067 HydrophobicContact CG1-CE 3.52Å; V1034-M1067 HydrophobicContact CG2-CE 3.77Å; Q1064-M1067 CarbonylContact O-C 3.6Å; Q1064-M1067 PolarHBondContact O-N 2.78Å; L1065-M1067 VanDerWaalsContact C-N 3.28Å; L1065-M1067 PolarHBondContact O-N 2.78Å; M1067-P1069 WeakPolarHBondContact O-CD 3.45Å |
| 1068 | D | 83.4 | Confident | 88.6 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | trans | -62.3 | 122.1 | 176.7 | 178.4 | 10.1 | 0 | 0 | 0 | 110.1 | Q1064 L1065 S1070 M1073 | Q1064-D1068 PolarHBondContact O-N 2.83Å; Q1064-D1068 VanDerWaalsContact O-N 3.11Å; L1065-D1068 WeakPolarHBondContact O-CB 3.28Å; D1068-S1070 PolarHBondContact O-N 2.73Å; D1068-S1070 VanDerWaalsContact O-N 3.12Å; D1068-S1070 WeakPolarHBondContact OD1-CB 3.46Å; D1068-S1070 PolarHBondContact OD1-N 3.22Å; D1068-S1070 VanDerWaalsContact OD1-N 3.08Å; D1068-S1070 PolarHBondContact OD1-OG 3.06Å; D1068-S1070 WeakPolarHBondContact OD2-CB 3.32Å; D1068-S1070 PolarHBondContact OD2-OG 3.41Å; D1068-M1073 VanDerWaalsContact C-SD 3.59Å; D1068-M1073 WeakPolarHBondContact O-CA 3.41Å; D1068-M1073 VanDerWaalsContact O-SD 3.35Å | ||
| 1069 | P | 81.6 | Confident | 88.2 | Confident | 91 Ų | 91 | 61.9 Ų | 61.9 | 59% | 0.591 | 31% | 0.307 | S | S | * | . | trans | -59.3 | -19.6 | 177.7 | -23.5 | 33.6 | 0 | 0 | 0 | 114.7 | M1067 N1072 M1073 | M1067-P1069 WeakPolarHBondContact O-CD 3.45Å; P1069-N1072 PolarHBondContact O-N 3.41Å; P1069-M1073 HydrophobicContact CB-CE 3.9Å; P1069-M1073 HydrophobicContact CG-CE 3.77Å; P1069-M1073 PolarHBondContact O-N 3.1Å | ||
| 1070 | S | 79.3 | Confident | 88 | Confident | 53 Ų | 53 | 61 Ų | 61 | 37% | 0.371 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -52.4 | 140.3 | -178.5 | 76.8 | 0 | 0 | 0 | 0 | 112.5 | D1068 N1072 M1073 | D1068-S1070 PolarHBondContact O-N 2.73Å; D1068-S1070 VanDerWaalsContact O-N 3.12Å; D1068-S1070 WeakPolarHBondContact OD1-CB 3.46Å; D1068-S1070 PolarHBondContact OD1-N 3.22Å; D1068-S1070 VanDerWaalsContact OD1-N 3.08Å; D1068-S1070 PolarHBondContact OD1-OG 3.06Å; D1068-S1070 WeakPolarHBondContact OD2-CB 3.32Å; D1068-S1070 PolarHBondContact OD2-OG 3.41Å; S1070-N1072 PolarHBondContact O-N 3.22Å; S1070-N1072 VanDerWaalsContact O-N 3.16Å; S1070-M1073 PolarHBondContact O-N 2.84Å; S1070-M1073 VanDerWaalsContact O-N 3.13Å |
| 1071 | R | 75.7 | Confident | 87.5 | Confident | 183 Ų | 183 | 64.5 Ų | 64.5 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | 49.3 | 43.1 | -178 | -57.9 | -177.2 | 176.8 | -170.2 | -0.9 | 112.9 | M1073 S1074 | R1071-M1073 PolarHBondContact O-N 3.48Å; R1071-S1074 PolarHBondContact O-N 3.32Å |
| 1072 | N | 78.5 | Confident | 87.1 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 35% | 0.353 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | 56.7 | 49.1 | -179.9 | -175.6 | 18.2 | 0 | 0 | 0 | 112.7 | P1069 S1070 S1074 R1077 K1098 | P1069-N1072 PolarHBondContact O-N 3.41Å; S1070-N1072 PolarHBondContact O-N 3.22Å; S1070-N1072 VanDerWaalsContact O-N 3.16Å; N1072-S1074 VanDerWaalsContact C-N 3.33Å; N1072-S1074 PolarHBondContact O-N 3.3Å; N1072-R1077 VanDerWaalsContact CG-NH2 3.34Å; N1072-R1077 PolarHBondContact ND2-NH2 2.78Å; N1072-R1077 VanDerWaalsContact ND2-NH2 3.16Å; N1072-R1077 WeakPolarHBondContact O-CD 3.38Å; N1072-R1077 PolarHBondContact O-NE 3.42Å; N1072-R1077 PolarHBondContact OD1-NH2 2.93Å; N1072-K1098 WeakPolarHBondContact OD1-CE 3.43Å; N1072-K1098 PolarHBondContact OD1-NZ 2.86Å |
| 1073 | M | 82 | Confident | 86.7 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 16% | 0.163 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | 61.4 | 38.5 | 176.3 | -58.2 | -80.3 | -177.2 | 0 | 0 | 113.2 | D1068 P1069 S1070 R1071 K1075 Y1076 R1077 V1095 | D1068-M1073 VanDerWaalsContact C-SD 3.59Å; D1068-M1073 WeakPolarHBondContact O-CA 3.41Å; D1068-M1073 VanDerWaalsContact O-SD 3.35Å; P1069-M1073 HydrophobicContact CB-CE 3.9Å; P1069-M1073 HydrophobicContact CG-CE 3.77Å; P1069-M1073 PolarHBondContact O-N 3.1Å; S1070-M1073 PolarHBondContact O-N 2.84Å; S1070-M1073 VanDerWaalsContact O-N 3.13Å; R1071-M1073 PolarHBondContact O-N 3.48Å; M1073-K1075 PolarHBondContact O-N 2.81Å; M1073-Y1076 HydrophobicContact CB-CD1 4.28Å; M1073-Y1076 PolarHBondContact O-N 3.17Å; M1073-R1077 WeakPolarHBondContact O-CG 3.5Å; M1073-R1077 PolarHBondContact O-N 2.89Å; M1073-V1095 HydrophobicContact CG-CG2 4.19Å |
| 1074 | S | 84.1 | Confident | 86.3 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -52.1 | -46.6 | -172.3 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | R1071 N1072 R1077 Q1078 | R1071-S1074 PolarHBondContact O-N 3.32Å; N1072-S1074 VanDerWaalsContact C-N 3.33Å; N1072-S1074 PolarHBondContact O-N 3.3Å; S1074-R1077 PolarHBondContact O-N 2.85Å; S1074-Q1078 PolarHBondContact O-N 3.41Å |
| 1075 | K | 86.1 | Confident | 86.1 | Confident | 82 Ų | 82 | 64 Ų | 64 | 36% | 0.357 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 177.8 | -69.6 | 175.6 | 178.1 | 171.6 | 0 | 112.2 | L1065 M1073 R1077 Q1078 H1079 | L1065-K1075 HydrophobicContact CG-CD 4.32Å; L1065-K1075 VanDerWaalsContact CG-NZ 3.34Å; L1065-K1075 VanDerWaalsContact O-CD 3.25Å; L1065-K1075 WeakPolarHBondContact O-CD 3.21Å; M1073-K1075 PolarHBondContact O-N 2.81Å; K1075-R1077 VanDerWaalsContact C-N 3.34Å; K1075-R1077 PolarHBondContact O-N 2.79Å; K1075-Q1078 PolarHBondContact O-N 2.81Å; K1075-H1079 PolarHBondContact O-CD2 3.3Å; K1075-H1079 VanDerWaalsContact O-CD2 3.27Å; K1075-H1079 PolarHBondContact O-N 3.35Å; K1075-H1079 VanDerWaalsContact O-N 3.13Å |
| 1076 | Y | 93 | Very high | 85.9 | Confident | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 175.3 | 163.1 | -103.9 | 0 | 0 | 0 | 111.8 | F1027 L1066 M1073 Q1078 H1079 L1080 P1091 L1092 V1095 | F1027-Y1076 HydrophobicContact CB-CE2 3.82Å; F1027-Y1076 HydrophobicContact CD1-CD2 4.4Å; F1027-Y1076 HydrophobicContact CD1-CE2 4.23Å; F1027-Y1076 HydrophobicContact CD2-CE2 4.12Å; F1027-Y1076 HydrophobicContact CG-CD2 4.4Å; F1027-Y1076 AromaticContact CG-CE2 3.8Å; F1027-Y1076 HydrophobicContact CG-CE2 3.8Å; L1066-Y1076 WeakPolarHBondContact O-CB 3.44Å; L1066-Y1076 PolarHBondContact O-N 3.13Å; M1073-Y1076 HydrophobicContact CB-CD1 4.28Å; M1073-Y1076 PolarHBondContact O-N 3.17Å; Y1076-Q1078 VanDerWaalsContact C-N 3.34Å; Y1076-Q1078 PolarHBondContact O-N 3.39Å; Y1076-H1079 PolarHBondContact O-N 2.87Å; Y1076-L1080 HydrophobicContact CE1-CD2 4.17Å; Y1076-L1080 HydrophobicContact CE2-CB 4.36Å; Y1076-L1080 WeakPolarHBondContact O-CB 3.42Å; Y1076-L1080 PolarHBondContact O-N 3.46Å; Y1076-P1091 WeakPolarHBondContact OH-CA 3.46Å; Y1076-P1091 WeakPolarHBondContact OH-CB 3.24Å; Y1076-L1092 HydrophobicContact CD1-CD1 3.85Å; Y1076-L1092 HydrophobicContact CD2-CD1 3.7Å; Y1076-L1092 HydrophobicContact CD2-CG 4.1Å; Y1076-L1092 HydrophobicContact CE1-CB 4.1Å; Y1076-L1092 HydrophobicContact CE1-CD1 3.79Å; Y1076-L1092 HydrophobicContact CE1-CG 4Å; Y1076-L1092 HydrophobicContact CE2-CB 4.34Å; Y1076-L1092 HydrophobicContact CE2-CD1 3.65Å; Y1076-L1092 HydrophobicContact CE2-CG 3.53Å; Y1076-L1092 HydrophobicContact CG-CD1 3.8Å; Y1076-L1092 VanDerWaalsContact CZ-CG 3.46Å; Y1076-L1092 PolarHBondContact OH-N 3.48Å; Y1076-V1095 HydrophobicContact CD1-CG1 4.43Å; Y1076-V1095 HydrophobicContact CD1-CG2 4.13Å; Y1076-V1095 HydrophobicContact CE1-CB 4.04Å; Y1076-V1095 HydrophobicContact CE1-CG1 4.02Å; Y1076-V1095 HydrophobicContact CE1-CG2 3.93Å |
| 1077 | R | 90.2 | Very high | 85.8 | Confident | 66 Ų | 66 | 67.1 Ų | 67.1 | 25% | 0.249 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63 | -38.9 | 179.5 | -71.4 | -179.5 | -177.5 | -81.9 | -2.6 | 112.7 | N1072 M1073 S1074 K1075 L1080 T1081 D1099 | N1072-R1077 VanDerWaalsContact CG-NH2 3.34Å; N1072-R1077 PolarHBondContact ND2-NH2 2.78Å; N1072-R1077 VanDerWaalsContact ND2-NH2 3.16Å; N1072-R1077 WeakPolarHBondContact O-CD 3.38Å; N1072-R1077 PolarHBondContact O-NE 3.42Å; N1072-R1077 PolarHBondContact OD1-NH2 2.93Å; M1073-R1077 WeakPolarHBondContact O-CG 3.5Å; M1073-R1077 PolarHBondContact O-N 2.89Å; S1074-R1077 PolarHBondContact O-N 2.85Å; K1075-R1077 VanDerWaalsContact C-N 3.34Å; K1075-R1077 PolarHBondContact O-N 2.79Å; R1077-L1080 PolarHBondContact O-N 3.37Å; R1077-T1081 WeakPolarHBondContact O-CB 3.37Å; R1077-T1081 PolarHBondContact O-N 2.99Å; R1077-T1081 PolarHBondContact O-OG1 3.29Å; R1077-D1099 IonicContact CZ-OD1 2.62Å; R1077-D1099 IonicContact CZ-OD2 2.76Å; R1077-D1099 VanDerWaalsContact CZ-OD2 3.3Å; R1077-D1099 IonicContact NH1-OD1 3.36Å; R1077-D1099 IonicContact NH1-OD2 2.67Å; R1077-D1099 PolarHBondContact NH1-OD2 3.3Å; R1077-D1099 VanDerWaalsContact NH2-CG 3.27Å; R1077-D1099 IonicContact NH2-OD1 3.78Å; R1077-D1099 PolarHBondContact NH2-OD1 3.14Å; R1077-D1099 IonicContact NH2-OD2 3.27Å; R1077-D1099 PolarHBondContact NH2-OD2 2.78Å |
| 1078 | Q | 87 | Confident | 86.1 | Confident | 119 Ų | 119 | 67.3 Ų | 67.3 | 56% | 0.556 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61 | -51.4 | 174 | -177.7 | 179.2 | -6.3 | 0 | 0 | 110.8 | S1074 K1075 Y1076 L1080 T1081 E1082 | S1074-Q1078 PolarHBondContact O-N 3.41Å; K1075-Q1078 PolarHBondContact O-N 2.81Å; Y1076-Q1078 VanDerWaalsContact C-N 3.34Å; Y1076-Q1078 PolarHBondContact O-N 3.39Å; Q1078-L1080 VanDerWaalsContact C-N 3.31Å; Q1078-L1080 PolarHBondContact O-N 2.92Å; Q1078-T1081 WeakPolarHBondContact O-CB 3.38Å; Q1078-T1081 PolarHBondContact O-N 3.05Å; Q1078-T1081 VanDerWaalsContact O-N 3.07Å; Q1078-E1082 PolarHBondContact O-N 3.04Å |
| 1079 | H | 89.7 | Confident | 86.6 | Confident | 86 Ų | 86 | 64.7 Ų | 64.7 | 40% | 0.398 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -35.5 | 176.9 | -81.1 | -69.1 | 0 | 0 | 0 | 113.4 | L1066 K1075 Y1076 T1081 E1082 A1083 | L1066-H1079 HydrophobicContact CD1-CB 4.23Å; L1066-H1079 WeakPolarHBondContact CD1-CD2 3.48Å; K1075-H1079 PolarHBondContact O-CD2 3.3Å; K1075-H1079 VanDerWaalsContact O-CD2 3.27Å; K1075-H1079 PolarHBondContact O-N 3.35Å; K1075-H1079 VanDerWaalsContact O-N 3.13Å; Y1076-H1079 PolarHBondContact O-N 2.87Å; H1079-T1081 VanDerWaalsContact C-N 3.33Å; H1079-E1082 IonicContact ND1-OE2 3.08Å; H1079-A1083 VanDerWaalsContact O-CB 3.3Å; H1079-A1083 WeakPolarHBondContact O-CB 3.41Å; H1079-A1083 PolarHBondContact O-N 3.16Å |
| 1080 | L | 92.5 | Very high | 87.3 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 174.5 | -176.4 | 67.2 | 0 | 0 | 0 | 111.3 | F1027 Y1076 R1077 Q1078 A1083 A1084 P1091 F1130 L1134 | F1027-L1080 HydrophobicContact CD2-CD1 4.47Å; F1027-L1080 HydrophobicContact CE2-CD1 4.47Å; Y1076-L1080 HydrophobicContact CE1-CD2 4.17Å; Y1076-L1080 HydrophobicContact CE2-CB 4.36Å; Y1076-L1080 WeakPolarHBondContact O-CB 3.42Å; Y1076-L1080 PolarHBondContact O-N 3.46Å; R1077-L1080 PolarHBondContact O-N 3.37Å; Q1078-L1080 VanDerWaalsContact C-N 3.31Å; Q1078-L1080 PolarHBondContact O-N 2.92Å; L1080-A1083 PolarHBondContact O-N 3.43Å; L1080-A1084 VanDerWaalsContact O-CB 3.28Å; L1080-A1084 WeakPolarHBondContact O-CB 3.42Å; L1080-A1084 PolarHBondContact O-N 3.15Å; L1080-P1091 HydrophobicContact CD1-CB 4.03Å; L1080-P1091 HydrophobicContact CD2-CB 4.41Å; L1080-F1130 HydrophobicContact CD2-CE1 3.99Å; L1080-F1130 HydrophobicContact CD2-CZ 4.32Å; L1080-F1130 HydrophobicContact CG-CE1 4.48Å; L1080-F1130 HydrophobicContact CG-CZ 4.35Å; L1080-L1134 HydrophobicContact CD1-CD1 4.02Å; L1080-L1134 HydrophobicContact CD1-CD2 4.44Å |
| 1081 | T | 88.7 | Confident | 88 | Confident | 86 Ų | 86 | 58 Ų | 58 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 177.5 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | R1077 Q1078 H1079 A1084 | R1077-T1081 WeakPolarHBondContact O-CB 3.37Å; R1077-T1081 PolarHBondContact O-N 2.99Å; R1077-T1081 PolarHBondContact O-OG1 3.29Å; Q1078-T1081 WeakPolarHBondContact O-CB 3.38Å; Q1078-T1081 PolarHBondContact O-N 3.05Å; Q1078-T1081 VanDerWaalsContact O-N 3.07Å; H1079-T1081 VanDerWaalsContact C-N 3.33Å; T1081-A1084 WeakPolarHBondContact O-CB 3.37Å; T1081-A1084 PolarHBondContact O-N 3.35Å |
| 1082 | E | 88.8 | Confident | 88.9 | Confident | 96 Ų | 96 | 49.4 Ų | 49.4 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 172.4 | -67.4 | 167.1 | -171.7 | 0 | 0 | 111.3 | Q1078 H1079 A1084 L1085 | Q1078-E1082 PolarHBondContact O-N 3.04Å; H1079-E1082 IonicContact ND1-OE2 3.08Å; E1082-A1084 VanDerWaalsContact C-N 3.26Å; E1082-A1084 PolarHBondContact O-N 3.4Å; E1082-L1085 WeakPolarHBondContact O-CB 3.49Å; E1082-L1085 PolarHBondContact O-N 2.95Å |
| 1083 | A | 87.3 | Confident | 89.4 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 5% | 0.05 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -31.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1025 F1027 H1079 L1080 L1085 E1086 | K1025-A1083 HydrophobicContact CD-CB 4.3Å; F1027-A1083 HydrophobicContact CE2-CB 4.15Å; F1027-A1083 HydrophobicContact CZ-CB 4.49Å; H1079-A1083 VanDerWaalsContact O-CB 3.3Å; H1079-A1083 WeakPolarHBondContact O-CB 3.41Å; H1079-A1083 PolarHBondContact O-N 3.16Å; L1080-A1083 PolarHBondContact O-N 3.43Å; A1083-L1085 PolarHBondContact O-N 3.25Å; A1083-E1086 CarbonylContact O-C 3.54Å; A1083-E1086 VanDerWaalsContact O-C 3.22Å; A1083-E1086 PolarHBondContact O-N 3.02Å; A1083-E1086 VanDerWaalsContact O-N 3.09Å |
| 1084 | A | 87 | Confident | 89.6 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -13.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1080 T1081 E1082 E1086 F1130 K1133 L1134 | L1080-A1084 VanDerWaalsContact O-CB 3.28Å; L1080-A1084 WeakPolarHBondContact O-CB 3.42Å; L1080-A1084 PolarHBondContact O-N 3.15Å; T1081-A1084 WeakPolarHBondContact O-CB 3.37Å; T1081-A1084 PolarHBondContact O-N 3.35Å; E1082-A1084 VanDerWaalsContact C-N 3.26Å; E1082-A1084 PolarHBondContact O-N 3.4Å; A1084-E1086 VanDerWaalsContact C-N 3.34Å; A1084-F1130 HydrophobicContact CB-CE2 3.7Å; A1084-F1130 HydrophobicContact CB-CZ 3.97Å; A1084-K1133 PolarHBondContact O-NZ 3.27Å; A1084-L1134 HydrophobicContact CB-CD2 3.56Å |
| 1085 | L | 89.3 | Confident | 89.8 | Confident | 135 Ų | 135 | 44.8 Ų | 44.8 | 71% | 0.707 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -32 | 169.1 | -61.3 | 173.9 | 0 | 0 | 0 | 111.2 | E1082 A1083 P1087 | E1082-L1085 WeakPolarHBondContact O-CB 3.49Å; E1082-L1085 PolarHBondContact O-N 2.95Å; A1083-L1085 PolarHBondContact O-N 3.25Å; L1085-P1087 WeakPolarHBondContact O-CD 3.35Å |
| 1086 | E | 84.9 | Confident | 90 | Very high | 129 Ų | 129 | 41.4 Ų | 41.4 | 60% | 0.603 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -126 | 74.6 | -177.2 | -66.6 | -174.6 | 162.6 | 0 | 0 | 111.9 | K1025 A1083 A1084 | K1025-E1086 PolarHBondContact NZ-O 3.49Å; K1025-E1086 IonicContact NZ-OE2 3.19Å; K1025-E1086 PolarHBondContact NZ-OE2 2.92Å; A1083-E1086 CarbonylContact O-C 3.54Å; A1083-E1086 VanDerWaalsContact O-C 3.22Å; A1083-E1086 PolarHBondContact O-N 3.02Å; A1083-E1086 VanDerWaalsContact O-N 3.09Å; A1084-E1086 VanDerWaalsContact C-N 3.34Å |
| 1087 | P | 87.8 | Confident | 89.8 | Confident | 39 Ų | 39 | 43.2 Ų | 43.2 | 25% | 0.253 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -61.2 | 150.8 | 173.4 | 27.2 | -34.6 | 0 | 0 | 0 | 111.2 | L1085 A1137 | L1085-P1087 WeakPolarHBondContact O-CD 3.35Å; P1087-A1137 HydrophobicContact CB-CB 4.29Å; P1087-A1137 HydrophobicContact CG-CB 4.42Å |
| 1088 | P | 91.8 | Very high | 89.6 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | cis | -85.7 | 156.2 | 6.8 | 28.9 | -31.6 | 0 | 0 | 0 | 116.4 | F953 L1134 A1137 Y1139 | F953-P1088 HydrophobicContact CE2-CB 3.75Å; F953-P1088 HydrophobicContact CZ-CB 4.02Å; P1088-L1134 VanDerWaalsContact CA-O 3.27Å; P1088-L1134 WeakPolarHBondContact CA-O 3.45Å; P1088-A1137 VanDerWaalsContact CB-O 3.29Å; P1088-A1137 WeakPolarHBondContact CB-O 3.36Å; P1088-Y1139 HydrophobicContact CB-CD1 4.42Å; P1088-Y1139 HydrophobicContact CB-CD2 4.12Å; P1088-Y1139 HydrophobicContact CB-CE1 4.23Å; P1088-Y1139 HydrophobicContact CB-CE2 3.93Å; P1088-Y1139 HydrophobicContact CB-CG 4.36Å; P1088-Y1139 HydrophobicContact CG-CD1 3.6Å; P1088-Y1139 HydrophobicContact CG-CD2 3.98Å; P1088-Y1139 HydrophobicContact CG-CE1 3.77Å; P1088-Y1139 HydrophobicContact CG-CE2 4.13Å; P1088-Y1139 HydrophobicContact CG-CG 3.71Å | ||
| 1089 | S | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -148.2 | 142.6 | 169.4 | -175 | 0 | 0 | 0 | 0 | 109.8 | K1025 F1027 L1134 Y1139 | K1025-S1089 PolarHBondContact O-OG 3.38Å; F1027-S1089 WeakPolarHBondContact CE2-OG 3.29Å; S1089-L1134 PolarHBondContact N-O 3.1Å; S1089-L1134 VanDerWaalsContact N-O 3.11Å; S1089-L1134 WeakPolarHBondContact O-CB 3.49Å; S1089-Y1139 WeakPolarHBondContact CA-OH 3.18Å | ||
| 1090 | I | 96.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -102.6 | 109.8 | 174.7 | -54.9 | 166 | 0 | 0 | 0 | 108.1 | T949 D952 F953 F956 F983 K1025 N1026 F1027 N1028 Y1139 | T949-I1090 HydrophobicContact CG2-CD1 4.06Å; D952-I1090 HydrophobicContact CB-CD1 3.89Å; F953-I1090 HydrophobicContact CB-CD1 3.99Å; F953-I1090 HydrophobicContact CB-CG1 4.43Å; F953-I1090 HydrophobicContact CD2-CG1 4.09Å; F956-I1090 HydrophobicContact CD1-CG1 4.47Å; F983-I1090 HydrophobicContact CE2-CG2 3.98Å; F983-I1090 HydrophobicContact CZ-CG2 3.61Å; K1025-I1090 PolarHBondContact O-N 2.91Å; N1026-I1090 HydrophobicContact CB-CD1 4.04Å; F1027-I1090 PolarHBondContact N-O 2.84Å; F1027-I1090 VanDerWaalsContact N-O 3.09Å; N1028-I1090 HydrophobicContact CB-CG2 3.59Å; I1090-Y1139 HydrophobicContact CD1-CE2 3.87Å; I1090-Y1139 HydrophobicContact CG1-CE2 3.82Å; I1090-Y1139 PolarHBondContact N-OH 3.4Å |
| 1091 | P | 95.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | trans | -76.4 | 163.4 | -179.2 | 33.6 | -36.9 | 0 | 0 | 0 | 112.2 | F956 Y1076 L1080 L1093 L1134 | F956-P1091 HydrophobicContact CE2-CG 4.09Å; F956-P1091 VanDerWaalsContact CZ-CD 3.48Å; F956-P1091 HydrophobicContact CZ-CG 3.83Å; Y1076-P1091 WeakPolarHBondContact OH-CA 3.46Å; Y1076-P1091 WeakPolarHBondContact OH-CB 3.24Å; L1080-P1091 HydrophobicContact CD1-CB 4.03Å; L1080-P1091 HydrophobicContact CD2-CB 4.41Å; P1091-L1093 PolarHBondContact O-N 3.47Å; P1091-L1134 HydrophobicContact CB-CD1 3.83Å; P1091-L1134 HydrophobicContact CG-CD1 3.69Å | ||
| 1092 | L | 93.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | trans | -64.6 | 110.4 | 167.1 | -61.3 | -178 | 0 | 0 | 0 | 110.7 | F1027 F1031 Y1076 P1094 V1095 L1096 | F1027-L1092 VanDerWaalsContact C-CD2 3.49Å; F1027-L1092 HydrophobicContact CB-CD2 3.95Å; F1027-L1092 HydrophobicContact CB-CG 4.15Å; F1027-L1092 WeakPolarHBondContact O-CD2 3.39Å; F1031-L1092 HydrophobicContact CB-CD2 3.23Å; F1031-L1092 HydrophobicContact CD1-CD2 4.42Å; F1031-L1092 HydrophobicContact CD2-CD1 4.39Å; F1031-L1092 HydrophobicContact CD2-CD2 4.12Å; F1031-L1092 HydrophobicContact CG-CD2 3.7Å; Y1076-L1092 HydrophobicContact CD1-CD1 3.85Å; Y1076-L1092 HydrophobicContact CD2-CD1 3.7Å; Y1076-L1092 HydrophobicContact CD2-CG 4.1Å; Y1076-L1092 HydrophobicContact CE1-CB 4.1Å; Y1076-L1092 HydrophobicContact CE1-CD1 3.79Å; Y1076-L1092 HydrophobicContact CE1-CG 4Å; Y1076-L1092 HydrophobicContact CE2-CB 4.34Å; Y1076-L1092 HydrophobicContact CE2-CD1 3.65Å; Y1076-L1092 HydrophobicContact CE2-CG 3.53Å; Y1076-L1092 HydrophobicContact CG-CD1 3.8Å; Y1076-L1092 VanDerWaalsContact CZ-CG 3.46Å; Y1076-L1092 PolarHBondContact OH-N 3.48Å; L1092-P1094 VanDerWaalsContact C-CD 3.41Å; L1092-P1094 VanDerWaalsContact C-N 3.31Å; L1092-V1095 HydrophobicContact CB-CB 4.21Å; L1092-V1095 HydrophobicContact CB-CG2 3.9Å; L1092-V1095 HydrophobicContact CD1-CG2 3.97Å; L1092-V1095 PolarHBondContact O-N 3.32Å; L1092-L1096 PolarHBondContact O-N 3.23Å | ||
| 1093 | L | 89.6 | Confident | 89 | Confident | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.2 | -41.2 | 173.9 | -178.7 | 62.3 | 0 | 0 | 0 | 113.3 | L980 F983 E984 P1091 V1095 L1096 K1097 | L980-L1093 HydrophobicContact CD1-CD1 3.89Å; F983-L1093 HydrophobicContact CD1-CB 4.18Å; F983-L1093 HydrophobicContact CD1-CD1 3.99Å; F983-L1093 HydrophobicContact CD1-CD2 3.87Å; F983-L1093 HydrophobicContact CD1-CG 4.23Å; F983-L1093 HydrophobicContact CE1-CB 3.85Å; F983-L1093 HydrophobicContact CE1-CD1 4.22Å; F983-L1093 HydrophobicContact CE1-CD2 4.39Å; F983-L1093 HydrophobicContact CE1-CG 4.37Å; E984-L1093 HydrophobicContact CB-CD2 3.7Å; E984-L1093 HydrophobicContact CG-CD2 4.28Å; P1091-L1093 PolarHBondContact O-N 3.47Å; L1093-V1095 PolarHBondContact O-N 2.81Å; L1093-L1096 PolarHBondContact O-N 3.35Å; L1093-K1097 HydrophobicContact CD1-CD 4.44Å; L1093-K1097 HydrophobicContact CD1-CG 4.15Å; L1093-K1097 HydrophobicContact CG-CD 4.44Å; L1093-K1097 HydrophobicContact CG-CG 4.46Å; L1093-K1097 PolarHBondContact O-N 3.38Å |
| 1094 | P | 85.9 | Confident | 89 | Confident | 32 Ų | 32 | 38 Ų | 38 | 21% | 0.208 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -41.8 | -179.8 | -25.2 | 36 | 0 | 0 | 0 | 113.6 | M1 F1031 L1092 K1097 K1098 | M1-P1094 HydrophobicContact CG-CG 4.46Å; M1-P1094 HydrophobicContact SD-CB 4.4Å; M1-P1094 HydrophobicContact SD-CG 3.88Å; F1031-P1094 HydrophobicContact CE1-CG 3.9Å; F1031-P1094 HydrophobicContact CZ-CG 4.15Å; L1092-P1094 VanDerWaalsContact C-CD 3.41Å; L1092-P1094 VanDerWaalsContact C-N 3.31Å; P1094-K1097 PolarHBondContact O-N 3.15Å; P1094-K1098 WeakPolarHBondContact O-CB 3.39Å; P1094-K1098 PolarHBondContact O-N 2.99Å |
| 1095 | V | 87.7 | Confident | 88.9 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 179.6 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | M1073 Y1076 L1092 L1093 K1097 K1098 D1099 | M1073-V1095 HydrophobicContact CG-CG2 4.19Å; Y1076-V1095 HydrophobicContact CD1-CG1 4.43Å; Y1076-V1095 HydrophobicContact CD1-CG2 4.13Å; Y1076-V1095 HydrophobicContact CE1-CB 4.04Å; Y1076-V1095 HydrophobicContact CE1-CG1 4.02Å; Y1076-V1095 HydrophobicContact CE1-CG2 3.93Å; L1092-V1095 HydrophobicContact CB-CB 4.21Å; L1092-V1095 HydrophobicContact CB-CG2 3.9Å; L1092-V1095 HydrophobicContact CD1-CG2 3.97Å; L1092-V1095 PolarHBondContact O-N 3.32Å; L1093-V1095 PolarHBondContact O-N 2.81Å; V1095-K1097 PolarHBondContact O-N 3.09Å; V1095-K1098 WeakPolarHBondContact O-CB 2.87Å; V1095-K1098 PolarHBondContact O-N 3.41Å; V1095-D1099 VanDerWaalsContact O-CG 3.32Å; V1095-D1099 PolarHBondContact O-N 2.9Å |
| 1096 | L | 91.1 | Very high | 88.5 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.9 | -48.8 | 175.8 | 171 | 56.3 | 0 | 0 | 0 | 112.3 | Y964 L1092 L1093 K1098 D1099 L1100 E1127 V1131 | Y964-L1096 HydrophobicContact CD1-CD2 4.39Å; Y964-L1096 HydrophobicContact CE1-CD2 3.6Å; L1092-L1096 PolarHBondContact O-N 3.23Å; L1093-L1096 PolarHBondContact O-N 3.35Å; L1096-K1098 VanDerWaalsContact C-N 3.27Å; L1096-K1098 PolarHBondContact O-N 2.93Å; L1096-D1099 PolarHBondContact O-N 3.47Å; L1096-L1100 HydrophobicContact CD1-CD1 3.89Å; L1096-L1100 HydrophobicContact CD1-CG 4.05Å; L1096-L1100 HydrophobicContact CG-CD1 4.19Å; L1096-L1100 WeakPolarHBondContact O-CG 3.46Å; L1096-L1100 PolarHBondContact O-N 2.66Å; L1096-L1100 VanDerWaalsContact O-N 3.08Å; L1096-E1127 HydrophobicContact CD1-CG 4.15Å; L1096-V1131 HydrophobicContact CD1-CG2 3.25Å; L1096-V1131 HydrophobicContact CD2-CB 4.26Å; L1096-V1131 HydrophobicContact CD2-CG1 3.7Å; L1096-V1131 HydrophobicContact CD2-CG2 3.54Å; L1096-V1131 HydrophobicContact CG-CG2 3.99Å |
| 1097 | K | 89.5 | Confident | 88.2 | Confident | 40 Ų | 40 | 35.9 Ų | 35.9 | 17% | 0.174 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 178.2 | -77.6 | -167.6 | 171.4 | -165.4 | 0 | 111.1 | E984 L1093 P1094 V1095 D1099 L1100 T1101 | E984-K1097 IonicContact OE2-NZ 2.78Å; E984-K1097 PolarHBondContact OE2-NZ 2.95Å; L1093-K1097 HydrophobicContact CD1-CD 4.44Å; L1093-K1097 HydrophobicContact CD1-CG 4.15Å; L1093-K1097 HydrophobicContact CG-CD 4.44Å; L1093-K1097 HydrophobicContact CG-CG 4.46Å; L1093-K1097 PolarHBondContact O-N 3.38Å; P1094-K1097 PolarHBondContact O-N 3.15Å; V1095-K1097 PolarHBondContact O-N 3.09Å; K1097-D1099 VanDerWaalsContact C-N 3.35Å; K1097-D1099 PolarHBondContact O-N 2.68Å; K1097-L1100 PolarHBondContact O-N 3.43Å; K1097-T1101 WeakPolarHBondContact O-CB 3.38Å; K1097-T1101 PolarHBondContact O-N 3.26Å; K1097-T1101 PolarHBondContact O-OG1 3.42Å |
| 1098 | K | 84.4 | Confident | 88 | Confident | 94 Ų | 94 | 38 Ų | 38 | 41% | 0.409 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59 | -45.4 | 177.6 | -165.7 | -178.7 | 77.4 | 143.3 | 0 | 112.2 | N1072 P1094 V1095 L1096 T1101 F1102 | N1072-K1098 WeakPolarHBondContact OD1-CE 3.43Å; N1072-K1098 PolarHBondContact OD1-NZ 2.86Å; P1094-K1098 WeakPolarHBondContact O-CB 3.39Å; P1094-K1098 PolarHBondContact O-N 2.99Å; V1095-K1098 WeakPolarHBondContact O-CB 2.87Å; V1095-K1098 PolarHBondContact O-N 3.41Å; L1096-K1098 VanDerWaalsContact C-N 3.27Å; L1096-K1098 PolarHBondContact O-N 2.93Å; K1098-T1101 PolarHBondContact O-N 3.19Å; K1098-F1102 WeakPolarHBondContact O-CB 3.11Å; K1098-F1102 PolarHBondContact O-N 3.26Å |
| 1099 | D | 87.5 | Confident | 87.8 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.4 | -41.8 | -178.6 | -65.9 | -18.2 | 0 | 0 | 0 | 111.8 | R1077 V1095 L1096 K1097 F1102 I1103 | R1077-D1099 IonicContact CZ-OD1 2.62Å; R1077-D1099 IonicContact CZ-OD2 2.76Å; R1077-D1099 VanDerWaalsContact CZ-OD2 3.3Å; R1077-D1099 IonicContact NH1-OD1 3.36Å; R1077-D1099 IonicContact NH1-OD2 2.67Å; R1077-D1099 PolarHBondContact NH1-OD2 3.3Å; R1077-D1099 VanDerWaalsContact NH2-CG 3.27Å; R1077-D1099 IonicContact NH2-OD1 3.78Å; R1077-D1099 PolarHBondContact NH2-OD1 3.14Å; R1077-D1099 IonicContact NH2-OD2 3.27Å; R1077-D1099 PolarHBondContact NH2-OD2 2.78Å; V1095-D1099 VanDerWaalsContact O-CG 3.32Å; V1095-D1099 PolarHBondContact O-N 2.9Å; L1096-D1099 PolarHBondContact O-N 3.47Å; K1097-D1099 VanDerWaalsContact C-N 3.35Å; K1097-D1099 PolarHBondContact O-N 2.68Å; D1099-F1102 PolarHBondContact O-N 2.64Å; D1099-I1103 VanDerWaalsContact O-CG1 3.3Å; D1099-I1103 WeakPolarHBondContact O-CG1 3.41Å; D1099-I1103 PolarHBondContact O-N 2.81Å |
| 1100 | L | 92.1 | Very high | 87.6 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 174.5 | -70.5 | 173.9 | 0 | 0 | 0 | 112 | Y964 L968 L1096 K1097 I1103 H1104 I1124 E1127 I1128 | Y964-L1100 HydrophobicContact CD1-CD1 4.01Å; L968-L1100 HydrophobicContact CD1-CB 4.08Å; L968-L1100 HydrophobicContact CD2-CB 4.14Å; L1096-L1100 HydrophobicContact CD1-CD1 3.89Å; L1096-L1100 HydrophobicContact CD1-CG 4.05Å; L1096-L1100 HydrophobicContact CG-CD1 4.19Å; L1096-L1100 WeakPolarHBondContact O-CG 3.46Å; L1096-L1100 PolarHBondContact O-N 2.66Å; L1096-L1100 VanDerWaalsContact O-N 3.08Å; K1097-L1100 PolarHBondContact O-N 3.43Å; L1100-I1103 PolarHBondContact O-N 3.21Å; L1100-H1104 WeakPolarHBondContact O-CB 3.48Å; L1100-H1104 PolarHBondContact O-N 2.92Å; L1100-I1124 HydrophobicContact CD2-CG2 4.18Å; L1100-E1127 HydrophobicContact CD2-CB 3.91Å; L1100-E1127 HydrophobicContact CD2-CG 3.85Å; L1100-E1127 HydrophobicContact CG-CG 4.3Å; L1100-I1128 HydrophobicContact CD2-CG1 4.12Å |
| 1101 | T | 85.6 | Confident | 87.1 | Confident | 51 Ų | 51 | 44.6 Ų | 44.6 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 176.4 | -65.3 | 0 | 0 | 0 | 0 | 111 | K1097 K1098 I1103 H1104 E1105 | K1097-T1101 WeakPolarHBondContact O-CB 3.38Å; K1097-T1101 PolarHBondContact O-N 3.26Å; K1097-T1101 PolarHBondContact O-OG1 3.42Å; K1098-T1101 PolarHBondContact O-N 3.19Å; T1101-I1103 PolarHBondContact O-N 2.99Å; T1101-H1104 CarbonylContact O-C 3.45Å; T1101-H1104 PolarHBondContact O-N 2.97Å; T1101-E1105 VanDerWaalsContact CG2-CD 3.42Å; T1101-E1105 HydrophobicContact CG2-CG 4.03Å; T1101-E1105 VanDerWaalsContact CG2-OE1 3.27Å; T1101-E1105 WeakPolarHBondContact CG2-OE1 3.35Å; T1101-E1105 WeakPolarHBondContact O-CB 3.35Å; T1101-E1105 WeakPolarHBondContact O-CG 3.37Å; T1101-E1105 PolarHBondContact O-N 3.49Å |
| 1102 | F | 85.5 | Confident | 86.1 | Confident | 127 Ų | 127 | 53.1 Ų | 53.1 | 56% | 0.557 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -58.3 | -47.6 | 178.1 | -177.8 | -99.4 | 0 | 0 | 0 | 111.7 | K1098 D1099 H1104 C1106 | K1098-F1102 WeakPolarHBondContact O-CB 3.11Å; K1098-F1102 PolarHBondContact O-N 3.26Å; D1099-F1102 PolarHBondContact O-N 2.64Å; F1102-H1104 VanDerWaalsContact C-N 3.28Å; F1102-H1104 PolarHBondContact O-N 3.03Å; F1102-C1106 VanDerWaalsContact CE2-SG 3.53Å; F1102-C1106 VanDerWaalsContact O-CB 3.26Å; F1102-C1106 WeakPolarHBondContact O-CB 3.43Å; F1102-C1106 PolarHBondContact O-N 3.1Å; F1102-C1106 PolarHBondContact O-SG 3.13Å; F1102-C1106 VanDerWaalsContact O-SG 3.33Å |
| 1103 | I | 84.1 | Confident | 85.4 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 175.7 | -61.9 | 164.6 | 0 | 0 | 0 | 110.8 | D1099 L1100 T1101 N1107 M1123 I1124 E1127 | D1099-I1103 VanDerWaalsContact O-CG1 3.3Å; D1099-I1103 WeakPolarHBondContact O-CG1 3.41Å; D1099-I1103 PolarHBondContact O-N 2.81Å; L1100-I1103 PolarHBondContact O-N 3.21Å; T1101-I1103 PolarHBondContact O-N 2.99Å; I1103-N1107 WeakPolarHBondContact O-CB 3.49Å; I1103-N1107 PolarHBondContact O-ND2 3Å; I1103-M1123 HydrophobicContact CG2-CB 3.71Å; I1103-M1123 HydrophobicContact CG2-CE 4.34Å; I1103-I1124 HydrophobicContact CB-CG1 4.25Å; I1103-I1124 HydrophobicContact CG2-CD1 4.35Å; I1103-I1124 HydrophobicContact CG2-CG1 3.55Å; I1103-E1127 HydrophobicContact CD1-CB 4.36Å |
| 1104 | H | 88 | Confident | 85.1 | Confident | 47 Ų | 47 | 59 Ų | 59 | 22% | 0.218 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.2 | -41.6 | -177.7 | -178.8 | 74.2 | 0 | 0 | 0 | 113.6 | L968 F969 L1100 T1101 F1102 N1107 K1120 | L968-H1104 HydrophobicContact CD1-CB 3.72Å; L968-H1104 HydrophobicContact CD2-CB 4.06Å; L968-H1104 HydrophobicContact CG-CB 3.94Å; F969-H1104 AromaticContact CD1-CE1 3.49Å; F969-H1104 VanDerWaalsContact CD1-CE1 3.49Å; F969-H1104 WeakPolarHBondContact CD1-CE1 3.42Å; F969-H1104 AromaticContact CD1-ND1 3.97Å; F969-H1104 AromaticContact CE1-CE1 3.48Å; F969-H1104 VanDerWaalsContact CE1-CE1 3.48Å; F969-H1104 WeakPolarHBondContact CE1-CE1 3.24Å; F969-H1104 AromaticContact CE1-ND1 3.61Å; F969-H1104 AromaticContact CE2-ND1 3.87Å; F969-H1104 AromaticContact CG-CE1 3.94Å; F969-H1104 AromaticContact CZ-CE1 3.91Å; F969-H1104 AromaticContact CZ-ND1 3.55Å; L1100-H1104 WeakPolarHBondContact O-CB 3.48Å; L1100-H1104 PolarHBondContact O-N 2.92Å; T1101-H1104 CarbonylContact O-C 3.45Å; T1101-H1104 PolarHBondContact O-N 2.97Å; F1102-H1104 VanDerWaalsContact C-N 3.28Å; F1102-H1104 PolarHBondContact O-N 3.03Å; H1104-N1107 VanDerWaalsContact O-O 3.13Å; H1104-K1120 PolarHBondContact ND1-NZ 2.85Å; H1104-K1120 VanDerWaalsContact O-CE 3.27Å; H1104-K1120 WeakPolarHBondContact O-CE 3.15Å; H1104-K1120 PolarHBondContact O-NZ 3.2Å |
| 1105 | E | 84.4 | Confident | 85.3 | Confident | 116 Ų | 116 | 57.6 Ų | 57.6 | 54% | 0.542 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -81.7 | -36.5 | -176.2 | -69.6 | 179.1 | 175.1 | 0 | 0 | 112.2 | T1101 N1107 | T1101-E1105 VanDerWaalsContact CG2-CD 3.42Å; T1101-E1105 HydrophobicContact CG2-CG 4.03Å; T1101-E1105 VanDerWaalsContact CG2-OE1 3.27Å; T1101-E1105 WeakPolarHBondContact CG2-OE1 3.35Å; T1101-E1105 WeakPolarHBondContact O-CB 3.35Å; T1101-E1105 WeakPolarHBondContact O-CG 3.37Å; T1101-E1105 PolarHBondContact O-N 3.49Å; E1105-N1107 VanDerWaalsContact C-N 3.31Å; E1105-N1107 PolarHBondContact O-N 3.14Å |
| 1106 | C | 80.3 | Confident | 85.6 | Confident | 68 Ų | 68 | 57 Ų | 57 | 46% | 0.459 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -79.3 | -10.2 | -177.9 | -63.6 | 0 | 0 | 0 | 0 | 114.3 | F1102 | F1102-C1106 VanDerWaalsContact CE2-SG 3.53Å; F1102-C1106 VanDerWaalsContact O-CB 3.26Å; F1102-C1106 WeakPolarHBondContact O-CB 3.43Å; F1102-C1106 PolarHBondContact O-N 3.1Å; F1102-C1106 PolarHBondContact O-SG 3.13Å; F1102-C1106 VanDerWaalsContact O-SG 3.33Å |
| 1107 | N | 79.8 | Confident | 85.6 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -125 | 127.4 | -178.9 | -62.4 | -86.4 | 0 | 0 | 0 | 109.9 | I1103 H1104 E1105 K1120 | I1103-N1107 WeakPolarHBondContact O-CB 3.49Å; I1103-N1107 PolarHBondContact O-ND2 3Å; H1104-N1107 VanDerWaalsContact O-O 3.13Å; E1105-N1107 VanDerWaalsContact C-N 3.31Å; E1105-N1107 PolarHBondContact O-N 3.14Å; N1107-K1120 HydrophobicContact CB-CB 3.93Å; N1107-K1120 HydrophobicContact CB-CD 3.86Å; N1107-K1120 HydrophobicContact CB-CG 3.74Å; N1107-K1120 WeakPolarHBondContact O-CD 3.44Å; N1107-K1120 WeakPolarHBondContact O-CE 3.12Å; N1107-K1120 PolarHBondContact O-NZ 3.29Å |
| 1108 | P | 83.2 | Confident | 85.7 | Confident | 82 Ų | 82 | 55.5 Ų | 55.5 | 53% | 0.532 | 30% | 0.296 | S | S | . | . | trans | -71 | 137.7 | 175.2 | 29.5 | -34.5 | 0 | 0 | 0 | 110.5 | N1117 | P1108-N1117 WeakPolarHBondContact O-CB 3.38Å; P1108-N1117 PolarHBondContact O-ND2 3.23Å | ||
| 1109 | T | 86.6 | Confident | 86 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -72.7 | -35.1 | 176.6 | -51.6 | 0 | 0 | 0 | 0 | 111.7 | F969 N1117 K1120 L1121 | F969-T1109 HydrophobicContact CE1-CG2 4.06Å; T1109-N1117 PolarHBondContact O-N 3.38Å; T1109-K1120 PolarHBondContact OG1-NZ 2.75Å; T1109-L1121 HydrophobicContact CG2-CD2 4.41Å |
| 1110 | W | 90.4 | Very high | 86.1 | Confident | 115 Ų | 115 | 52.4 Ų | 52.4 | 44% | 0.436 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -116.5 | 132.1 | 177.6 | -64.4 | 91.4 | 0 | 0 | 0 | 108 | P460 F491 L1115 V1116 | P460-W1110 HydrophobicContact CG-CH2 4.01Å; P460-W1110 HydrophobicContact CG-CZ3 4.35Å; F491-W1110 HydrophobicContact CB-CH2 4.06Å; F491-W1110 HydrophobicContact CB-CZ2 3.67Å; W1110-L1115 CarbonylContact C-O 3.22Å; W1110-L1115 WeakPolarHBondContact CA-O 3.44Å; W1110-V1116 HydrophobicContact CD2-CG2 4.4Å; W1110-V1116 HydrophobicContact CE3-CG2 3.86Å; W1110-V1116 HydrophobicContact CH2-CG2 3.62Å; W1110-V1116 HydrophobicContact CZ2-CG2 4.16Å; W1110-V1116 HydrophobicContact CZ3-CG2 3.45Å; W1110-V1116 VanDerWaalsContact CZ3-CG2 3.45Å |
| 1111 | C | 84.2 | Confident | 86.2 | Confident | 21 Ų | 21 | 52.1 Ų | 52.1 | 14% | 0.142 | 28% | 0.281 | C | S | . | . | trans | -81.2 | 162.7 | 173.5 | -65.8 | 0 | 0 | 0 | 0 | 110.4 | K457 D1113 G1114 L1115 | K457-C1111 HydrophobicContact CD-CB 4.4Å; K457-C1111 VanDerWaalsContact CD-SG 3.53Å; C1111-D1113 WeakPolarHBondContact CB-OD1 3.35Å; C1111-D1113 PolarHBondContact O-N 3.26Å; C1111-D1113 VanDerWaalsContact O-N 3.17Å; C1111-G1114 WeakPolarHBondContact O-CA 3.48Å; C1111-G1114 PolarHBondContact O-N 3.1Å; C1111-L1115 PolarHBondContact N-O 3.28Å | ||
| 1112 | D | 75.6 | Confident | 86.5 | Confident | 182 Ų | 182 | 51 Ų | 51 | 97% | 0.973 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.8 | -176.9 | -56.3 | -39.4 | 0 | 0 | 0 | 113.1 | G1114 | D1112-G1114 PolarHBondContact O-N 3.42Š|
| 1113 | D | 77.6 | Confident | 86.8 | Confident | 88 Ų | 88 | 48.7 Ų | 48.7 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 2.6 | 173.4 | 60.3 | 1.4 | 0 | 0 | 0 | 113.7 | C1111 L1115 | C1111-D1113 WeakPolarHBondContact CB-OD1 3.35Å; C1111-D1113 PolarHBondContact O-N 3.26Å; C1111-D1113 VanDerWaalsContact O-N 3.17Å; D1113-L1115 VanDerWaalsContact C-N 3.31Å; D1113-L1115 WeakPolarHBondContact OD1-CB 3.44Å; D1113-L1115 WeakPolarHBondContact OD1-CG 3.42Å; D1113-L1115 PolarHBondContact OD1-N 3.2Å; D1113-L1115 VanDerWaalsContact OD1-N 3.13Å; D1113-L1115 WeakPolarHBondContact OD2-CD1 3.24Å |
| 1114 | G | 83.6 | Confident | 87.3 | Confident | 44 Ų | 44 | 47.7 Ų | 47.7 | 45% | 0.454 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 78.9 | 9.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1111 D1112 | C1111-G1114 WeakPolarHBondContact O-CA 3.48Å; C1111-G1114 PolarHBondContact O-N 3.1Å; D1112-G1114 PolarHBondContact O-N 3.42Å |
| 1115 | L | 90.7 | Very high | 87.7 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | trans | -83.7 | 148 | 175.8 | -57.9 | -176.8 | 0 | 0 | 0 | 111.8 | V438 K457 T459 W1110 C1111 D1113 | V438-L1115 HydrophobicContact CB-CD1 4.47Å; V438-L1115 HydrophobicContact CG1-CD1 3.95Å; K457-L1115 HydrophobicContact CB-CB 4.08Å; K457-L1115 HydrophobicContact CB-CD1 4.16Å; T459-L1115 HydrophobicContact CG2-CD2 3.57Å; W1110-L1115 CarbonylContact C-O 3.22Å; W1110-L1115 WeakPolarHBondContact CA-O 3.44Å; C1111-L1115 PolarHBondContact N-O 3.28Å; D1113-L1115 VanDerWaalsContact C-N 3.31Å; D1113-L1115 WeakPolarHBondContact OD1-CB 3.44Å; D1113-L1115 WeakPolarHBondContact OD1-CG 3.42Å; D1113-L1115 PolarHBondContact OD1-N 3.2Å; D1113-L1115 VanDerWaalsContact OD1-N 3.13Å; D1113-L1115 WeakPolarHBondContact OD2-CD1 3.24Å | ||
| 1116 | V | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 126.1 | 172.6 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | K457 A458 P460 L463 F491 W1110 F1118 L1121 | K457-V1116 VanDerWaalsContact CA-O 3.26Å; K457-V1116 WeakPolarHBondContact CA-O 3.32Å; A458-V1116 PolarHBondContact N-O 3Å; A458-V1116 WeakPolarHBondContact O-CB 3.26Å; A458-V1116 PolarHBondContact O-N 3.26Å; P460-V1116 HydrophobicContact CG-CG2 4.03Å; L463-V1116 HydrophobicContact CD1-CB 3.84Å; L463-V1116 HydrophobicContact CD1-CG1 3.98Å; L463-V1116 HydrophobicContact CD1-CG2 4.26Å; F491-V1116 HydrophobicContact CB-CG1 4.41Å; F491-V1116 HydrophobicContact CB-CG2 3.89Å; F491-V1116 HydrophobicContact CD1-CG1 3.83Å; F491-V1116 HydrophobicContact CD2-CG2 4.09Å; F491-V1116 HydrophobicContact CE1-CG1 4.21Å; F491-V1116 HydrophobicContact CG-CG1 4.07Å; F491-V1116 HydrophobicContact CG-CG2 3.93Å; W1110-V1116 HydrophobicContact CD2-CG2 4.4Å; W1110-V1116 HydrophobicContact CE3-CG2 3.86Å; W1110-V1116 HydrophobicContact CH2-CG2 3.62Å; W1110-V1116 HydrophobicContact CZ2-CG2 4.16Å; W1110-V1116 HydrophobicContact CZ3-CG2 3.45Å; W1110-V1116 VanDerWaalsContact CZ3-CG2 3.45Å; V1116-F1118 PolarHBondContact O-N 3.46Å; V1116-L1121 HydrophobicContact CG1-CD1 3.86Å |
| 1117 | N | 90.7 | Very high | 88.7 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 10% | 0.096 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 88.4 | 172.7 | -178.2 | -1.3 | 0 | 0 | 0 | 110.1 | P1108 T1109 E1119 K1120 | P1108-N1117 WeakPolarHBondContact O-CB 3.38Å; P1108-N1117 PolarHBondContact O-ND2 3.23Å; T1109-N1117 PolarHBondContact O-N 3.38Å; N1117-E1119 PolarHBondContact O-N 3.21Å; N1117-E1119 PolarHBondContact OD1-N 2.59Å; N1117-K1120 HydrophobicContact CB-CB 4.37Å; N1117-K1120 PolarHBondContact O-N 2.96Å; N1117-K1120 PolarHBondContact OD1-N 3.34Å; N1117-K1120 VanDerWaalsContact OD1-N 3.15Å |
| 1118 | F | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.1 | -21.1 | -179.4 | -161 | -99 | 0 | 0 | 0 | 112.5 | T456 L463 Y480 D483 M484 V1116 L1121 R1122 | T456-F1118 WeakPolarHBondContact O-CA 3.48Å; T456-F1118 WeakPolarHBondContact O-CB 3.25Å; T456-F1118 PolarHBondContact O-N 3.35Å; L463-F1118 HydrophobicContact CD1-CD2 4.16Å; L463-F1118 HydrophobicContact CD2-CB 4.15Å; L463-F1118 HydrophobicContact CD2-CD2 3.71Å; L463-F1118 HydrophobicContact CD2-CE2 4.33Å; L463-F1118 HydrophobicContact CD2-CG 3.98Å; Y480-F1118 HydrophobicContact CD2-CD1 4.22Å; Y480-F1118 AromaticContact CD2-CE1 3.48Å; Y480-F1118 HydrophobicContact CD2-CE1 3.48Å; Y480-F1118 VanDerWaalsContact CD2-CE1 3.48Å; Y480-F1118 AromaticContact CD2-CZ 3.9Å; Y480-F1118 HydrophobicContact CD2-CZ 3.9Å; Y480-F1118 AromaticContact CE2-CD1 3.97Å; Y480-F1118 HydrophobicContact CE2-CD1 3.97Å; Y480-F1118 AromaticContact CE2-CE1 3.47Å; Y480-F1118 HydrophobicContact CE2-CE1 3.47Å; Y480-F1118 VanDerWaalsContact CE2-CE1 3.47Å; Y480-F1118 HydrophobicContact CE2-CE2 4.29Å; Y480-F1118 AromaticContact CE2-CZ 3.65Å; Y480-F1118 HydrophobicContact CE2-CZ 3.65Å; D483-F1118 HydrophobicContact CB-CE1 4.47Å; D483-F1118 HydrophobicContact CB-CZ 4.25Å; M484-F1118 HydrophobicContact CB-CE2 4.24Å; M484-F1118 HydrophobicContact CB-CZ 3.99Å; M484-F1118 HydrophobicContact SD-CE2 4.02Å; V1116-F1118 PolarHBondContact O-N 3.46Å; F1118-L1121 HydrophobicContact CD2-CD1 4.1Å; F1118-L1121 PolarHBondContact O-N 3.2Å; F1118-R1122 WeakPolarHBondContact O-CB 3.38Å; F1118-R1122 PolarHBondContact O-N 2.75Å |
| 1119 | E | 89.2 | Confident | 90 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 21% | 0.21 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.2 | -40.7 | 176.3 | -165.4 | 62.9 | -176.6 | 0 | 0 | 112 | R445 T456 N1117 L1121 R1122 M1123 | R445-E1119 IonicContact CZ-OE1 3.53Å; R445-E1119 IonicContact CZ-OE2 2.99Å; R445-E1119 IonicContact NH1-OE1 3.75Å; R445-E1119 PolarHBondContact NH1-OE1 2.82Å; R445-E1119 VanDerWaalsContact NH1-OE1 3.08Å; R445-E1119 IonicContact NH1-OE2 3.96Å; R445-E1119 IonicContact NH2-OE1 3.46Å; R445-E1119 PolarHBondContact NH2-OE1 3.5Å; R445-E1119 IonicContact NH2-OE2 2.61Å; R445-E1119 PolarHBondContact NH2-OE2 3.05Å; T456-E1119 PolarHBondContact O-N 2.88Å; N1117-E1119 PolarHBondContact O-N 3.21Å; N1117-E1119 PolarHBondContact OD1-N 2.59Å; E1119-L1121 VanDerWaalsContact C-N 3.29Å; E1119-L1121 PolarHBondContact O-N 3.08Å; E1119-R1122 WeakPolarHBondContact O-CB 3.3Å; E1119-R1122 PolarHBondContact O-N 3.31Å; E1119-R1122 WeakPolarHBondContact OE2-CD 3.5Å; E1119-R1122 IonicContact OE2-NE 3.74Å; E1119-R1122 PolarHBondContact OE2-NE 3.19Å; E1119-M1123 WeakPolarHBondContact O-CG 3.44Å; E1119-M1123 PolarHBondContact O-N 3.3Å |
| 1120 | K | 89.3 | Confident | 90.3 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 2% | 0.022 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.7 | -49.4 | 168.2 | 174.9 | -174 | -172.6 | 172 | 0 | 111.1 | H1104 N1107 T1109 N1117 R1122 M1123 I1124 | H1104-K1120 PolarHBondContact ND1-NZ 2.85Å; H1104-K1120 VanDerWaalsContact O-CE 3.27Å; H1104-K1120 WeakPolarHBondContact O-CE 3.15Å; H1104-K1120 PolarHBondContact O-NZ 3.2Å; N1107-K1120 HydrophobicContact CB-CB 3.93Å; N1107-K1120 HydrophobicContact CB-CD 3.86Å; N1107-K1120 HydrophobicContact CB-CG 3.74Å; N1107-K1120 WeakPolarHBondContact O-CD 3.44Å; N1107-K1120 WeakPolarHBondContact O-CE 3.12Å; N1107-K1120 PolarHBondContact O-NZ 3.29Å; T1109-K1120 PolarHBondContact OG1-NZ 2.75Å; N1117-K1120 HydrophobicContact CB-CB 4.37Å; N1117-K1120 PolarHBondContact O-N 2.96Å; N1117-K1120 PolarHBondContact OD1-N 3.34Å; N1117-K1120 VanDerWaalsContact OD1-N 3.15Å; K1120-R1122 VanDerWaalsContact C-N 3.28Å; K1120-R1122 PolarHBondContact O-N 2.91Å; K1120-M1123 WeakPolarHBondContact O-CB 3.17Å; K1120-M1123 PolarHBondContact O-N 2.74Å; K1120-I1124 HydrophobicContact CG-CD1 4.05Å; K1120-I1124 WeakPolarHBondContact O-CG1 3.46Å; K1120-I1124 PolarHBondContact O-N 3.5Å |
| 1121 | L | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -36.6 | -177.1 | -55.6 | -176.2 | 0 | 0 | 0 | 111.3 | M487 F491 F969 T1109 V1116 F1118 E1119 I1124 A1125 | M487-L1121 HydrophobicContact CB-CB 3.95Å; M487-L1121 HydrophobicContact CB-CD1 4.13Å; M487-L1121 HydrophobicContact CB-CG 4.45Å; M487-L1121 HydrophobicContact CE-CB 4.11Å; M487-L1121 HydrophobicContact CE-CD2 3.6Å; M487-L1121 HydrophobicContact CE-CG 4.38Å; M487-L1121 HydrophobicContact CG-CB 3.98Å; F491-L1121 HydrophobicContact CD1-CD1 3.76Å; F491-L1121 HydrophobicContact CE1-CD1 3.63Å; F969-L1121 HydrophobicContact CZ-CD2 3.92Å; T1109-L1121 HydrophobicContact CG2-CD2 4.41Å; V1116-L1121 HydrophobicContact CG1-CD1 3.86Å; F1118-L1121 HydrophobicContact CD2-CD1 4.1Å; F1118-L1121 PolarHBondContact O-N 3.2Å; E1119-L1121 VanDerWaalsContact C-N 3.29Å; E1119-L1121 PolarHBondContact O-N 3.08Å; L1121-I1124 PolarHBondContact O-N 2.75Å; L1121-A1125 VanDerWaalsContact O-CB 3.3Å; L1121-A1125 WeakPolarHBondContact O-CB 3.4Å; L1121-A1125 PolarHBondContact O-N 3.26Å |
| 1122 | R | 92.6 | Very high | 90.9 | Very high | 27 Ų | 27 | 41 Ų | 41 | 10% | 0.102 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 173 | -175.1 | -171.1 | -56.4 | -78.5 | 2.9 | 112.4 | D477 D483 F1118 E1119 K1120 A1125 K1126 | D477-R1122 VanDerWaalsContact CG-NH1 3.29Å; D477-R1122 IonicContact OD1-CZ 2.95Å; D477-R1122 IonicContact OD1-NH1 3.55Å; D477-R1122 PolarHBondContact OD1-NH1 3.28Å; D477-R1122 IonicContact OD1-NH2 2.65Å; D477-R1122 IonicContact OD2-CZ 2.92Å; D477-R1122 IonicContact OD2-NH1 3.67Å; D477-R1122 PolarHBondContact OD2-NH1 3.43Å; D477-R1122 IonicContact OD2-NH2 2.65Å; D477-R1122 PolarHBondContact OD2-NH2 2.89Å; D483-R1122 IonicContact OD2-NH1 2.87Å; F1118-R1122 WeakPolarHBondContact O-CB 3.38Å; F1118-R1122 PolarHBondContact O-N 2.75Å; E1119-R1122 WeakPolarHBondContact O-CB 3.3Å; E1119-R1122 PolarHBondContact O-N 3.31Å; E1119-R1122 WeakPolarHBondContact OE2-CD 3.5Å; E1119-R1122 IonicContact OE2-NE 3.74Å; E1119-R1122 PolarHBondContact OE2-NE 3.19Å; K1120-R1122 VanDerWaalsContact C-N 3.28Å; K1120-R1122 PolarHBondContact O-N 2.91Å; R1122-A1125 PolarHBondContact O-N 3.26Å; R1122-K1126 WeakPolarHBondContact O-CB 3.43Å; R1122-K1126 PolarHBondContact O-N 3.31Å |
| 1123 | M | 91.3 | Very high | 91.7 | Very high | 79 Ų | 79 | 37.1 Ų | 37.1 | 39% | 0.389 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61 | -46 | 175.9 | -69 | 175.2 | 70.2 | 0 | 0 | 111.2 | I1103 E1119 K1120 K1126 E1127 | I1103-M1123 HydrophobicContact CG2-CB 3.71Å; I1103-M1123 HydrophobicContact CG2-CE 4.34Å; E1119-M1123 WeakPolarHBondContact O-CG 3.44Å; E1119-M1123 PolarHBondContact O-N 3.3Å; K1120-M1123 WeakPolarHBondContact O-CB 3.17Å; K1120-M1123 PolarHBondContact O-N 2.74Å; M1123-K1126 WeakPolarHBondContact O-CB 3.44Å; M1123-K1126 PolarHBondContact O-N 2.99Å; M1123-E1127 PolarHBondContact O-N 2.74Å |
| 1124 | I | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 176.1 | -64.8 | 171.4 | 0 | 0 | 0 | 110.8 | M487 L968 F969 L1100 I1103 K1120 L1121 K1126 E1127 I1128 | M487-I1124 HydrophobicContact CE-CB 4.22Å; M487-I1124 HydrophobicContact CE-CD1 4.41Å; M487-I1124 HydrophobicContact CE-CG2 3.96Å; M487-I1124 HydrophobicContact SD-CG2 4.22Å; L968-I1124 HydrophobicContact CD2-CD1 3.91Å; L968-I1124 HydrophobicContact CD2-CG1 4.3Å; L968-I1124 HydrophobicContact CD2-CG2 3.87Å; F969-I1124 HydrophobicContact CE2-CD1 3.78Å; F969-I1124 HydrophobicContact CZ-CD1 3.81Å; L1100-I1124 HydrophobicContact CD2-CG2 4.18Å; I1103-I1124 HydrophobicContact CB-CG1 4.25Å; I1103-I1124 HydrophobicContact CG2-CD1 4.35Å; I1103-I1124 HydrophobicContact CG2-CG1 3.55Å; K1120-I1124 HydrophobicContact CG-CD1 4.05Å; K1120-I1124 WeakPolarHBondContact O-CG1 3.46Å; K1120-I1124 PolarHBondContact O-N 3.5Å; L1121-I1124 PolarHBondContact O-N 2.75Å; I1124-K1126 VanDerWaalsContact C-N 3.3Å; I1124-K1126 PolarHBondContact O-N 3.38Å; I1124-E1127 PolarHBondContact O-N 3.05Å; I1124-I1128 HydrophobicContact CG2-CD1 3.87Å; I1124-I1128 WeakPolarHBondContact O-CG1 3.3Å; I1124-I1128 PolarHBondContact O-N 2.76Å |
| 1125 | A | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -35.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D483 L486 M487 L1121 R1122 R1129 | D483-A1125 HydrophobicContact CB-CB 4.05Å; L486-A1125 HydrophobicContact CD2-CB 4.09Å; M487-A1125 HydrophobicContact CG-CB 4.2Å; L1121-A1125 VanDerWaalsContact O-CB 3.3Å; L1121-A1125 WeakPolarHBondContact O-CB 3.4Å; L1121-A1125 PolarHBondContact O-N 3.26Å; R1122-A1125 PolarHBondContact O-N 3.26Å; A1125-R1129 WeakPolarHBondContact O-CB 3.35Å; A1125-R1129 VanDerWaalsContact O-CG 3.27Å; A1125-R1129 WeakPolarHBondContact O-CG 3.33Å; A1125-R1129 PolarHBondContact O-N 3.13Å; A1125-R1129 PolarHBondContact O-NE 3.16Å |
| 1126 | K | 93.7 | Very high | 92.9 | Very high | 149 Ų | 149 | 35.7 Ų | 35.7 | 65% | 0.648 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -60.3 | -46.6 | 173.2 | -175.7 | -177.6 | 176.6 | -175.6 | 0 | 111 | R1122 M1123 I1124 R1129 F1130 | R1122-K1126 WeakPolarHBondContact O-CB 3.43Å; R1122-K1126 PolarHBondContact O-N 3.31Å; M1123-K1126 WeakPolarHBondContact O-CB 3.44Å; M1123-K1126 PolarHBondContact O-N 2.99Å; I1124-K1126 VanDerWaalsContact C-N 3.3Å; I1124-K1126 PolarHBondContact O-N 3.38Å; K1126-R1129 PolarHBondContact O-N 3.27Å; K1126-F1130 PolarHBondContact O-N 3.22Å; K1126-F1130 VanDerWaalsContact O-N 3.08Å |
| 1127 | E | 93.5 | Very high | 92.6 | Very high | 44 Ų | 44 | 37 Ų | 37 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -46.8 | 179.2 | -169.5 | 54.8 | -144.1 | 0 | 0 | 111.8 | L1096 L1100 I1103 M1123 I1124 R1129 F1130 V1131 | L1096-E1127 HydrophobicContact CD1-CG 4.15Å; L1100-E1127 HydrophobicContact CD2-CB 3.91Å; L1100-E1127 HydrophobicContact CD2-CG 3.85Å; L1100-E1127 HydrophobicContact CG-CG 4.3Å; I1103-E1127 HydrophobicContact CD1-CB 4.36Å; M1123-E1127 PolarHBondContact O-N 2.74Å; I1124-E1127 PolarHBondContact O-N 3.05Å; E1127-R1129 VanDerWaalsContact C-N 3.28Å; E1127-R1129 PolarHBondContact O-N 2.67Å; E1127-F1130 WeakPolarHBondContact O-CB 3.24Å; E1127-F1130 PolarHBondContact O-N 2.96Å; E1127-F1130 VanDerWaalsContact O-N 3.07Å; E1127-V1131 WeakPolarHBondContact O-CG2 3.35Å; E1127-V1131 PolarHBondContact O-N 3.37Å; E1127-V1131 VanDerWaalsContact O-N 3.1Å |
| 1128 | I | 96.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.2 | -42.1 | 176.7 | -66.1 | 168.9 | 0 | 0 | 0 | 110.9 | L486 P961 Y964 V965 L1100 I1124 F1130 V1131 M1132 | L486-I1128 HydrophobicContact CD2-CD1 4.32Å; L486-I1128 HydrophobicContact CD2-CG2 4.31Å; P961-I1128 HydrophobicContact CB-CG2 3.88Å; Y964-I1128 HydrophobicContact CD2-CG2 4.08Å; Y964-I1128 HydrophobicContact CG-CG1 4.31Å; V965-I1128 HydrophobicContact CG2-CD1 3.64Å; L1100-I1128 HydrophobicContact CD2-CG1 4.12Å; I1124-I1128 HydrophobicContact CG2-CD1 3.87Å; I1124-I1128 WeakPolarHBondContact O-CG1 3.3Å; I1124-I1128 PolarHBondContact O-N 2.76Å; I1128-F1130 VanDerWaalsContact C-N 3.34Å; I1128-F1130 PolarHBondContact O-N 3.15Å; I1128-V1131 PolarHBondContact O-N 3.21Å; I1128-M1132 HydrophobicContact CG2-CG 4.2Å; I1128-M1132 WeakPolarHBondContact O-CG 3.33Å; I1128-M1132 PolarHBondContact O-N 3Å |
| 1129 | R | 93.2 | Very high | 91.8 | Very high | 64 Ų | 64 | 38.6 Ų | 38.6 | 24% | 0.242 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 177.1 | -76 | -176.1 | -60 | -152.9 | -8.5 | 113.1 | R479 E482 D483 A1125 K1126 E1127 V1131 M1132 K1133 | R479-R1129 VanDerWaalsContact CB-NH1 3.28Å; R479-R1129 VanDerWaalsContact CD-NH1 3.33Å; R479-R1129 VanDerWaalsContact CG-NH1 3.34Å; E482-R1129 IonicContact OE2-NH1 3.44Å; D483-R1129 IonicContact OD1-CZ 2.96Å; D483-R1129 IonicContact OD1-NE 3.29Å; D483-R1129 IonicContact OD1-NH1 3.04Å; D483-R1129 PolarHBondContact OD1-NH1 2.7Å; D483-R1129 IonicContact OD1-NH2 2.77Å; D483-R1129 PolarHBondContact OD1-NH2 3.39Å; D483-R1129 VanDerWaalsContact OD1-NH2 3.13Å; D483-R1129 IonicContact OD2-CZ 3.92Å; D483-R1129 IonicContact OD2-NH1 3.87Å; D483-R1129 IonicContact OD2-NH2 2.68Å; D483-R1129 PolarHBondContact OD2-NH2 2.86Å; D483-R1129 VanDerWaalsContact OD2-NH2 3.13Å; A1125-R1129 WeakPolarHBondContact O-CB 3.35Å; A1125-R1129 VanDerWaalsContact O-CG 3.27Å; A1125-R1129 WeakPolarHBondContact O-CG 3.33Å; A1125-R1129 PolarHBondContact O-N 3.13Å; A1125-R1129 PolarHBondContact O-NE 3.16Å; K1126-R1129 PolarHBondContact O-N 3.27Å; E1127-R1129 VanDerWaalsContact C-N 3.28Å; E1127-R1129 PolarHBondContact O-N 2.67Å; R1129-V1131 VanDerWaalsContact C-N 3.33Å; R1129-M1132 PolarHBondContact O-N 2.81Å; R1129-K1133 PolarHBondContact O-N 3.44Å |
| 1130 | F | 94 | Very high | 91.3 | Very high | 64 Ų | 64 | 38.1 Ų | 38.1 | 28% | 0.281 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.4 | -47.5 | 174.8 | 172.9 | -106.3 | 0 | 0 | 0 | 110.3 | L1080 A1084 K1126 E1127 I1128 M1132 K1133 L1134 | L1080-F1130 HydrophobicContact CD2-CE1 3.99Å; L1080-F1130 HydrophobicContact CD2-CZ 4.32Å; L1080-F1130 HydrophobicContact CG-CE1 4.48Å; L1080-F1130 HydrophobicContact CG-CZ 4.35Å; A1084-F1130 HydrophobicContact CB-CE2 3.7Å; A1084-F1130 HydrophobicContact CB-CZ 3.97Å; K1126-F1130 PolarHBondContact O-N 3.22Å; K1126-F1130 VanDerWaalsContact O-N 3.08Å; E1127-F1130 WeakPolarHBondContact O-CB 3.24Å; E1127-F1130 PolarHBondContact O-N 2.96Å; E1127-F1130 VanDerWaalsContact O-N 3.07Å; I1128-F1130 VanDerWaalsContact C-N 3.34Å; I1128-F1130 PolarHBondContact O-N 3.15Å; F1130-M1132 PolarHBondContact O-N 3.11Å; F1130-K1133 VanDerWaalsContact O-CB 3.29Å; F1130-K1133 WeakPolarHBondContact O-CB 3.35Å; F1130-K1133 PolarHBondContact O-N 2.99Å; F1130-L1134 HydrophobicContact CE1-CD1 4.46Å; F1130-L1134 PolarHBondContact O-N 3.44Å |
| 1131 | V | 93.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 176.1 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | F956 L1096 E1127 I1128 R1129 K1133 L1134 | F956-V1131 HydrophobicContact CE2-CG1 3.66Å; F956-V1131 HydrophobicContact CZ-CG1 3.71Å; L1096-V1131 HydrophobicContact CD1-CG2 3.25Å; L1096-V1131 HydrophobicContact CD2-CB 4.26Å; L1096-V1131 HydrophobicContact CD2-CG1 3.7Å; L1096-V1131 HydrophobicContact CD2-CG2 3.54Å; L1096-V1131 HydrophobicContact CG-CG2 3.99Å; E1127-V1131 WeakPolarHBondContact O-CG2 3.35Å; E1127-V1131 PolarHBondContact O-N 3.37Å; E1127-V1131 VanDerWaalsContact O-N 3.1Å; I1128-V1131 PolarHBondContact O-N 3.21Å; R1129-V1131 VanDerWaalsContact C-N 3.33Å; V1131-K1133 PolarHBondContact O-N 2.73Å; V1131-L1134 VanDerWaalsContact O-CB 3.28Å; V1131-L1134 WeakPolarHBondContact O-CB 3.25Å; V1131-L1134 PolarHBondContact O-N 3.21Å |
| 1132 | M | 92.5 | Very high | 89.3 | Confident | 44 Ų | 44 | 38.8 Ų | 38.8 | 22% | 0.217 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.5 | -27.5 | 179.3 | -65.8 | -66.2 | 91.9 | 0 | 0 | 112.7 | P961 Y964 I1128 R1129 F1130 L1134 A1135 S1136 | P961-M1132 HydrophobicContact CG-CG 4.05Å; P961-M1132 HydrophobicContact CG-SD 3.93Å; Y964-M1132 HydrophobicContact CE2-CE 3.5Å; Y964-M1132 VanDerWaalsContact CE2-CE 3.5Å; Y964-M1132 HydrophobicContact CE2-SD 4.45Å; I1128-M1132 HydrophobicContact CG2-CG 4.2Å; I1128-M1132 WeakPolarHBondContact O-CG 3.33Å; I1128-M1132 PolarHBondContact O-N 3Å; R1129-M1132 PolarHBondContact O-N 2.81Å; F1130-M1132 PolarHBondContact O-N 3.11Å; M1132-L1134 VanDerWaalsContact C-N 3.31Å; M1132-L1134 PolarHBondContact O-N 3.37Å; M1132-A1135 PolarHBondContact O-N 3.38Å; M1132-S1136 PolarHBondContact O-N 2.92Å |
| 1133 | K | 93.5 | Very high | 88.2 | Confident | 101 Ų | 101 | 40.3 Ų | 40.3 | 44% | 0.439 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.8 | -35.1 | 172.6 | -172 | -168.7 | 173.5 | -156.2 | 0 | 111.6 | A1084 R1129 F1130 V1131 A1135 S1136 | A1084-K1133 PolarHBondContact O-NZ 3.27Å; R1129-K1133 PolarHBondContact O-N 3.44Å; F1130-K1133 VanDerWaalsContact O-CB 3.29Å; F1130-K1133 WeakPolarHBondContact O-CB 3.35Å; F1130-K1133 PolarHBondContact O-N 2.99Å; V1131-K1133 PolarHBondContact O-N 2.73Å; K1133-A1135 PolarHBondContact O-N 2.89Å; K1133-S1136 VanDerWaalsContact O-CB 3.23Å; K1133-S1136 WeakPolarHBondContact O-CB 3.44Å; K1133-S1136 PolarHBondContact O-N 3.46Å; K1133-S1136 PolarHBondContact O-OG 2.69Å |
| 1134 | L | 93.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -26.3 | 179.1 | -56 | 174.3 | 0 | 0 | 0 | 112.6 | F956 L1080 A1084 P1088 S1089 P1091 F1130 V1131 M1132 | F956-L1134 HydrophobicContact CE1-CB 4.32Å; F956-L1134 HydrophobicContact CZ-CB 4.39Å; L1080-L1134 HydrophobicContact CD1-CD1 4.02Å; L1080-L1134 HydrophobicContact CD1-CD2 4.44Å; A1084-L1134 HydrophobicContact CB-CD2 3.56Å; P1088-L1134 VanDerWaalsContact CA-O 3.27Å; P1088-L1134 WeakPolarHBondContact CA-O 3.45Å; S1089-L1134 PolarHBondContact N-O 3.1Å; S1089-L1134 VanDerWaalsContact N-O 3.11Å; S1089-L1134 WeakPolarHBondContact O-CB 3.49Å; P1091-L1134 HydrophobicContact CB-CD1 3.83Å; P1091-L1134 HydrophobicContact CG-CD1 3.69Å; F1130-L1134 HydrophobicContact CE1-CD1 4.46Å; F1130-L1134 PolarHBondContact O-N 3.44Å; V1131-L1134 VanDerWaalsContact O-CB 3.28Å; V1131-L1134 WeakPolarHBondContact O-CB 3.25Å; V1131-L1134 PolarHBondContact O-N 3.21Å; M1132-L1134 VanDerWaalsContact C-N 3.31Å; M1132-L1134 PolarHBondContact O-N 3.37Å |
| 1135 | A | 92.7 | Very high | 86.2 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 7.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F953 F956 A957 M1132 K1133 A1137 | F953-A1135 HydrophobicContact CE2-CB 4.12Å; F953-A1135 HydrophobicContact CZ-CB 4.38Å; F956-A1135 HydrophobicContact CD1-CB 3.99Å; F956-A1135 HydrophobicContact CE1-CB 3.7Å; F956-A1135 HydrophobicContact CZ-CB 4.4Å; A957-A1135 HydrophobicContact CB-CB 4.21Å; M1132-A1135 PolarHBondContact O-N 3.38Å; K1133-A1135 PolarHBondContact O-N 2.89Å; A1135-A1137 PolarHBondContact O-N 2.85Å |
| 1136 | S | 89.2 | Confident | 85 | Confident | 81 Ų | 81 | 43.6 Ų | 43.6 | 57% | 0.566 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -72.5 | -13.2 | -171 | 65 | 0 | 0 | 0 | 0 | 115.3 | M1132 K1133 | M1132-S1136 PolarHBondContact O-N 2.92Å; K1133-S1136 VanDerWaalsContact O-CB 3.23Å; K1133-S1136 WeakPolarHBondContact O-CB 3.44Å; K1133-S1136 PolarHBondContact O-N 3.46Å; K1133-S1136 PolarHBondContact O-OG 2.69Å |
| 1137 | A | 88.5 | Confident | 83.7 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 24% | 0.24 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -124.8 | 146.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110 | F953 P1087 P1088 A1135 | F953-A1137 WeakPolarHBondContact CZ-O 3.1Å; P1087-A1137 HydrophobicContact CB-CB 4.29Å; P1087-A1137 HydrophobicContact CG-CB 4.42Å; P1088-A1137 VanDerWaalsContact CB-O 3.29Å; P1088-A1137 WeakPolarHBondContact CB-O 3.36Å; A1135-A1137 PolarHBondContact O-N 2.85Å |
| 1138 | P | 84.3 | Confident | 82.2 | Confident | 43 Ų | 43 | 38.9 Ų | 38.9 | 28% | 0.279 | 21% | 0.208 | S | C | . | . | trans | -77.7 | 155 | 177 | 33 | -36.3 | 0 | 0 | 0 | 112.1 | E1140 A1169 T1172 | P1138-E1140 PolarHBondContact O-N 3.44Å; P1138-A1169 VanDerWaalsContact CB-O 3.24Å; P1138-A1169 WeakPolarHBondContact CB-O 3.23Å; P1138-T1172 HydrophobicContact CB-CG2 4.25Å; P1138-T1172 HydrophobicContact CG-CG2 3.54Å; P1138-T1172 VanDerWaalsContact CG-OG1 3.25Å; P1138-T1172 WeakPolarHBondContact CG-OG1 3.45Å | ||
| 1139 | Y | 82.5 | Confident | 80.4 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | trans | -71 | 115.9 | 176.7 | -92.7 | -72.5 | 0 | 0 | 0 | 111.4 | T949 F953 F1024 K1025 P1088 S1089 I1090 M1144 V1170 A1171 | T949-Y1139 HydrophobicContact CG2-CD1 4.28Å; T949-Y1139 HydrophobicContact CG2-CD2 4.15Å; T949-Y1139 HydrophobicContact CG2-CE1 4Å; T949-Y1139 HydrophobicContact CG2-CE2 3.85Å; T949-Y1139 HydrophobicContact CG2-CG 4.36Å; F953-Y1139 HydrophobicContact CB-CD2 3.53Å; F953-Y1139 HydrophobicContact CB-CE2 3.68Å; F953-Y1139 AromaticContact CD1-CD2 3.66Å; F953-Y1139 HydrophobicContact CD1-CD2 3.66Å; F953-Y1139 HydrophobicContact CD1-CE2 4.33Å; F953-Y1139 AromaticContact CD2-CD2 3.5Å; F953-Y1139 HydrophobicContact CD2-CD2 3.5Å; F953-Y1139 AromaticContact CD2-CE2 3.3Å; F953-Y1139 HydrophobicContact CD2-CE2 3.3Å; F953-Y1139 HydrophobicContact CE1-CD2 4.23Å; F953-Y1139 HydrophobicContact CE2-CD2 4.05Å; F953-Y1139 AromaticContact CE2-CE2 3.94Å; F953-Y1139 HydrophobicContact CE2-CE2 3.94Å; F953-Y1139 AromaticContact CG-CD2 3.27Å; F953-Y1139 HydrophobicContact CG-CD2 3.27Å; F953-Y1139 AromaticContact CG-CE2 3.52Å; F953-Y1139 HydrophobicContact CG-CE2 3.52Å; F953-Y1139 HydrophobicContact CZ-CD2 4.4Å; F1024-Y1139 WeakPolarHBondContact O-CE1 3.05Å; F1024-Y1139 PolarHBondContact O-OH 3.12Å; K1025-Y1139 PolarHBondContact O-OH 2.91Å; P1088-Y1139 HydrophobicContact CB-CD1 4.42Å; P1088-Y1139 HydrophobicContact CB-CD2 4.12Å; P1088-Y1139 HydrophobicContact CB-CE1 4.23Å; P1088-Y1139 HydrophobicContact CB-CE2 3.93Å; P1088-Y1139 HydrophobicContact CB-CG 4.36Å; P1088-Y1139 HydrophobicContact CG-CD1 3.6Å; P1088-Y1139 HydrophobicContact CG-CD2 3.98Å; P1088-Y1139 HydrophobicContact CG-CE1 3.77Å; P1088-Y1139 HydrophobicContact CG-CE2 4.13Å; P1088-Y1139 HydrophobicContact CG-CG 3.71Å; S1089-Y1139 WeakPolarHBondContact CA-OH 3.18Å; I1090-Y1139 HydrophobicContact CD1-CE2 3.87Å; I1090-Y1139 HydrophobicContact CG1-CE2 3.82Å; I1090-Y1139 PolarHBondContact N-OH 3.4Å; Y1139-M1144 HydrophobicContact CD1-CE 4.4Å; Y1139-M1144 HydrophobicContact CD1-CG 3.92Å; Y1139-M1144 HydrophobicContact CD1-SD 3.76Å; Y1139-M1144 HydrophobicContact CG-SD 4.17Å; Y1139-V1170 PolarHBondContact N-O 3.18Å; Y1139-A1171 WeakPolarHBondContact O-CA 3.42Å; Y1139-A1171 WeakPolarHBondContact O-CB 3.41Å | ||
| 1140 | E | 77.6 | Confident | 78.6 | Confident | 35 Ų | 35 | 42.7 Ų | 42.7 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | trans | -89.1 | 109.6 | 171.6 | -179.7 | 162.7 | -158.6 | 0 | 0 | 110.4 | P1138 S1142 T1143 M1144 K1174 | P1138-E1140 PolarHBondContact O-N 3.44Å; E1140-S1142 PolarHBondContact O-N 3.01Å; E1140-T1143 WeakPolarHBondContact O-CB 3.39Å; E1140-T1143 PolarHBondContact O-N 2.92Å; E1140-T1143 PolarHBondContact OE2-OG1 3.01Å; E1140-M1144 WeakPolarHBondContact O-CG 3.42Å; E1140-M1144 PolarHBondContact O-N 2.91Å; E1140-K1174 VanDerWaalsContact OE1-CA 3.3Å; E1140-K1174 WeakPolarHBondContact OE1-CA 3.23Å; E1140-K1174 WeakPolarHBondContact OE1-CB 3.36Å; E1140-K1174 PolarHBondContact OE1-N 3.42Å | ||
| 1141 | L | 74.2 | Confident | 76.4 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.4 | -34.2 | -178.9 | -72.9 | 76.8 | 0 | 0 | 0 | 112 | L950 T1143 M1144 F1145 L1158 L1159 A1171 | L950-L1141 HydrophobicContact CD1-CD1 4.02Å; L950-L1141 HydrophobicContact CD1-CD2 4.08Å; L950-L1141 HydrophobicContact CD1-CG 4.19Å; L950-L1141 HydrophobicContact CD2-CD1 3.96Å; L1141-T1143 VanDerWaalsContact C-N 3.3Å; L1141-T1143 PolarHBondContact O-N 3.2Å; L1141-M1144 HydrophobicContact CG-SD 4.29Å; L1141-M1144 WeakPolarHBondContact O-CB 3.44Å; L1141-M1144 PolarHBondContact O-N 2.81Å; L1141-F1145 VanDerWaalsContact O-CD2 3.25Å; L1141-F1145 WeakPolarHBondContact O-CD2 3.25Å; L1141-F1145 PolarHBondContact O-N 3.17Å; L1141-L1158 HydrophobicContact CD2-CB 3.73Å; L1141-L1158 HydrophobicContact CD2-CD2 3.75Å; L1141-L1158 HydrophobicContact CD2-CG 4.32Å; L1141-L1158 VanDerWaalsContact CD2-O 3.24Å; L1141-L1158 WeakPolarHBondContact CD2-O 3.16Å; L1141-L1159 HydrophobicContact CB-CD2 3.72Å; L1141-L1159 HydrophobicContact CB-CG 4.29Å; L1141-L1159 HydrophobicContact CD1-CD2 4.39Å; L1141-L1159 HydrophobicContact CD2-CD2 4.44Å; L1141-L1159 HydrophobicContact CG-CD2 4.42Å; L1141-A1171 HydrophobicContact CD1-CB 3.35Å |
| 1142 | S | 68.1 | Low | 74.3 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -43 | 176.8 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | E1140 Q1146 | E1140-S1142 PolarHBondContact O-N 3.01Å; S1142-Q1146 WeakPolarHBondContact O-CG 3.49Å; S1142-Q1146 PolarHBondContact O-N 3.46Å |
| 1143 | T | 70.8 | Confident | 72.4 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 36% | 0.362 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.9 | -41.7 | 176.6 | -48.3 | 0 | 0 | 0 | 0 | 111.1 | E1140 L1141 F1145 Q1146 L1147 | E1140-T1143 WeakPolarHBondContact O-CB 3.39Å; E1140-T1143 PolarHBondContact O-N 2.92Å; E1140-T1143 PolarHBondContact OE2-OG1 3.01Å; L1141-T1143 VanDerWaalsContact C-N 3.3Å; L1141-T1143 PolarHBondContact O-N 3.2Å; T1143-F1145 VanDerWaalsContact C-N 3.34Å; T1143-F1145 PolarHBondContact O-N 3.23Å; T1143-Q1146 WeakPolarHBondContact O-CB 3.11Å; T1143-Q1146 PolarHBondContact O-N 3.37Å; T1143-Q1146 VanDerWaalsContact O-N 3.15Å; T1143-L1147 HydrophobicContact CG2-CD1 4.41Å; T1143-L1147 WeakPolarHBondContact O-CG 3.13Å; T1143-L1147 PolarHBondContact O-N 3.41Å |
| 1144 | M | 72.5 | Confident | 70.4 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.8 | -49.4 | 176.2 | -67.6 | 170.4 | 72.6 | 0 | 0 | 111.6 | A946 T949 F1024 Y1139 E1140 L1141 Q1146 L1147 S1148 | A946-M1144 HydrophobicContact CB-CE 4.44Å; T949-M1144 HydrophobicContact CG2-CE 3.65Å; F1024-M1144 HydrophobicContact CB-CE 3.88Å; F1024-M1144 HydrophobicContact CD1-CB 3.62Å; F1024-M1144 HydrophobicContact CD1-CE 4.1Å; F1024-M1144 HydrophobicContact CD1-CG 4.28Å; F1024-M1144 WeakPolarHBondContact CD1-O 3.4Å; F1024-M1144 HydrophobicContact CD2-CE 3.46Å; F1024-M1144 VanDerWaalsContact CD2-CE 3.46Å; F1024-M1144 VanDerWaalsContact CE1-C 3.49Å; F1024-M1144 HydrophobicContact CE1-CB 3.7Å; F1024-M1144 HydrophobicContact CE1-CE 4.49Å; F1024-M1144 WeakPolarHBondContact CE1-O 3.49Å; F1024-M1144 HydrophobicContact CE2-CE 3.92Å; F1024-M1144 HydrophobicContact CG-CB 4.26Å; F1024-M1144 HydrophobicContact CG-CE 3.55Å; F1024-M1144 HydrophobicContact CG-CG 4.5Å; F1024-M1144 HydrophobicContact CZ-CB 4.38Å; F1024-M1144 HydrophobicContact CZ-CE 4.41Å; Y1139-M1144 HydrophobicContact CD1-CE 4.4Å; Y1139-M1144 HydrophobicContact CD1-CG 3.92Å; Y1139-M1144 HydrophobicContact CD1-SD 3.76Å; Y1139-M1144 HydrophobicContact CG-SD 4.17Å; E1140-M1144 WeakPolarHBondContact O-CG 3.42Å; E1140-M1144 PolarHBondContact O-N 2.91Å; L1141-M1144 HydrophobicContact CG-SD 4.29Å; L1141-M1144 WeakPolarHBondContact O-CB 3.44Å; L1141-M1144 PolarHBondContact O-N 2.81Å; M1144-Q1146 VanDerWaalsContact C-N 3.34Å; M1144-Q1146 PolarHBondContact O-N 3.03Å; M1144-L1147 PolarHBondContact O-N 2.64Å; M1144-S1148 PolarHBondContact O-N 2.94Å |
| 1145 | F | 69.8 | Low | 69 | Low | 13 Ų | 13 | 52.3 Ų | 52.3 | 6% | 0.057 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70 | -28 | -179.2 | -81.5 | -79 | 0 | 0 | 0 | 113.7 | A946 L1141 T1143 S1148 L1154 L1158 | A946-F1145 HydrophobicContact CB-CE2 4.47Å; A946-F1145 HydrophobicContact CB-CZ 4.34Å; L1141-F1145 VanDerWaalsContact O-CD2 3.25Å; L1141-F1145 WeakPolarHBondContact O-CD2 3.25Å; L1141-F1145 PolarHBondContact O-N 3.17Å; T1143-F1145 VanDerWaalsContact C-N 3.34Å; T1143-F1145 PolarHBondContact O-N 3.23Å; F1145-S1148 WeakPolarHBondContact O-CB 3.14Å; F1145-S1148 PolarHBondContact O-N 3.48Å; F1145-L1154 HydrophobicContact CB-CD2 3.6Å; F1145-L1154 HydrophobicContact CD2-CD2 4.42Å; F1145-L1154 HydrophobicContact CG-CD2 4.28Å; F1145-L1158 HydrophobicContact CE2-CD1 3.73Å; F1145-L1158 HydrophobicContact CZ-CD1 3.44Å; F1145-L1158 VanDerWaalsContact CZ-CD1 3.44Å |
| 1146 | Q | 70.6 | Confident | 67.7 | Low | 131 Ų | 131 | 52.7 Ų | 52.7 | 61% | 0.612 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.4 | -43.2 | 171.9 | -71.4 | 171.2 | 9.6 | 0 | 0 | 111.3 | S1142 T1143 M1144 S1148 G1149 | S1142-Q1146 WeakPolarHBondContact O-CG 3.49Å; S1142-Q1146 PolarHBondContact O-N 3.46Å; T1143-Q1146 WeakPolarHBondContact O-CB 3.11Å; T1143-Q1146 PolarHBondContact O-N 3.37Å; T1143-Q1146 VanDerWaalsContact O-N 3.15Å; M1144-Q1146 VanDerWaalsContact C-N 3.34Å; M1144-Q1146 PolarHBondContact O-N 3.03Å; Q1146-S1148 PolarHBondContact O-N 3.26Å; Q1146-G1149 PolarHBondContact O-N 2.98Å |
| 1147 | L | 66.3 | Low | 66.4 | Low | 84 Ų | 84 | 49.1 Ų | 49.1 | 44% | 0.44 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.3 | -26.4 | 177.6 | -67.2 | 170.8 | 0 | 0 | 0 | 113.1 | D1023 T1143 M1144 G1149 | D1023-L1147 WeakPolarHBondContact O-CB 3.38Å; T1143-L1147 HydrophobicContact CG2-CD1 4.41Å; T1143-L1147 WeakPolarHBondContact O-CG 3.13Å; T1143-L1147 PolarHBondContact O-N 3.41Å; M1144-L1147 PolarHBondContact O-N 2.64Å; L1147-G1149 PolarHBondContact O-N 2.82Å; L1147-G1149 VanDerWaalsContact O-N 3.15Å |
| 1148 | S | 62.1 | Low | 65.3 | Low | 11 Ų | 11 | 47.8 Ų | 47.8 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -13.8 | 178.3 | -174.6 | 0 | 0 | 0 | 0 | 114.8 | Q1020 M1144 F1145 Q1146 N1150 | Q1020-S1148 VanDerWaalsContact CD-OG 3.29Å; Q1020-S1148 PolarHBondContact NE2-OG 2.9Å; Q1020-S1148 PolarHBondContact OE1-OG 3.4Å; M1144-S1148 PolarHBondContact O-N 2.94Å; F1145-S1148 WeakPolarHBondContact O-CB 3.14Å; F1145-S1148 PolarHBondContact O-N 3.48Å; Q1146-S1148 PolarHBondContact O-N 3.26Å; S1148-N1150 PolarHBondContact O-N 3.11Å |
| 1149 | G | 59.1 | Low | 64.3 | Low | 56 Ų | 56 | 47.2 Ų | 47.2 | 58% | 0.577 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 65.8 | -3.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1146 L1147 H1151 | Q1146-G1149 PolarHBondContact O-N 2.98Å; L1147-G1149 PolarHBondContact O-N 2.82Å; L1147-G1149 VanDerWaalsContact O-N 3.15Å; G1149-H1151 PolarHBondContact O-N 3.05Å; G1149-H1151 VanDerWaalsContact O-N 3.09Å |
| 1150 | N | 54.6 | Low | 63.4 | Low | 90 Ų | 90 | 47.8 Ų | 47.8 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | trans | -76.6 | 95.4 | 167.6 | -85.8 | -26.6 | 0 | 0 | 0 | 107.5 | S1148 G1152 | S1148-N1150 PolarHBondContact O-N 3.11Å; N1150-G1152 PolarHBondContact O-N 3Å | ||
| 1151 | H | 48.9 | Very low | 62.9 | Low | 197 Ų | 197 | 46.4 Ų | 46.4 | 91% | 0.912 | 26% | 0.261 | S | S | * | . | trans | -57.6 | -0.1 | 159.2 | -73.2 | -61.1 | 0 | 0 | 0 | 113 | G1149 Q1153 | G1149-H1151 PolarHBondContact O-N 3.05Å; G1149-H1151 VanDerWaalsContact O-N 3.09Å; H1151-Q1153 PolarHBondContact O-N 3.49Å | ||
| 1152 | G | 48.8 | Very low | 62.5 | Low | 49 Ų | 49 | 47.4 Ų | 47.4 | 51% | 0.505 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -49.1 | 118.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1150 L1154 | N1150-G1152 PolarHBondContact O-N 3Å; G1152-L1154 PolarHBondContact O-N 3.13Å |
| 1153 | Q | 53.3 | Low | 62 | Low | 118 Ų | 118 | 50.1 Ų | 50.1 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | trans | -24.6 | 119.2 | 174.9 | -68.6 | 160.5 | 15.4 | 0 | 0 | 112.5 | H1151 N1155 | H1151-Q1153 PolarHBondContact O-N 3.49Å; Q1153-N1155 PolarHBondContact O-N 3.46Å | ||
| 1154 | L | 51.4 | Low | 61 | Low | 34 Ų | 34 | 50.4 Ų | 50.4 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | trans | -43.4 | 126.8 | 172.3 | -74.6 | 175.4 | 0 | 0 | 0 | 109.6 | F1145 G1152 D1156 | F1145-L1154 HydrophobicContact CB-CD2 3.6Å; F1145-L1154 HydrophobicContact CD2-CD2 4.42Å; F1145-L1154 HydrophobicContact CG-CD2 4.28Å; G1152-L1154 PolarHBondContact O-N 3.13Å; L1154-D1156 VanDerWaalsContact C-N 3.33Å; L1154-D1156 PolarHBondContact O-N 3.49Å | ||
| 1155 | N | 63.5 | Low | 59.6 | Low | 16 Ų | 16 | 59.8 Ų | 59.8 | 9% | 0.086 | 32% | 0.323 | C | S | . | . | trans | -78.9 | 89 | 179.6 | -170.4 | -25.4 | 0 | 0 | 0 | 107.8 | Q1153 A1157 L1158 L1159 Q1191 | Q1153-N1155 PolarHBondContact O-N 3.46Å; N1155-A1157 PolarHBondContact O-N 2.74Å; N1155-A1157 VanDerWaalsContact O-N 3.17Å; N1155-A1157 PolarHBondContact OD1-N 3.47Å; N1155-L1158 HydrophobicContact CB-CB 4Å; N1155-L1158 HydrophobicContact CB-CD1 3.73Å; N1155-L1158 HydrophobicContact CB-CG 4.45Å; N1155-L1158 WeakPolarHBondContact O-CB 2.92Å; N1155-L1158 PolarHBondContact O-N 3.29Å; N1155-L1158 PolarHBondContact OD1-N 3.04Å; N1155-L1159 PolarHBondContact O-N 3.22Å; N1155-Q1191 WeakPolarHBondContact OD1-CB 3.24Å; N1155-Q1191 WeakPolarHBondContact OD1-CG 2.8Å; N1155-Q1191 PolarHBondContact OD1-OE1 3.39Å | ||
| 1156 | D | 65 | Low | 58.1 | Low | 30 Ų | 30 | 63.2 Ų | 63.2 | 16% | 0.16 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -54.4 | -34.1 | -179.2 | -79.6 | -31.4 | 0 | 0 | 0 | 111 | L1154 L1158 L1159 H1160 L1188 Q1191 | L1154-D1156 VanDerWaalsContact C-N 3.33Å; L1154-D1156 PolarHBondContact O-N 3.49Å; D1156-L1158 VanDerWaalsContact C-N 3.3Å; D1156-L1158 PolarHBondContact O-N 3.01Å; D1156-L1159 WeakPolarHBondContact O-CB 3.39Å; D1156-L1159 PolarHBondContact O-N 3.29Å; D1156-L1159 VanDerWaalsContact O-N 3.13Å; D1156-H1160 PolarHBondContact O-CD2 3.02Å; D1156-H1160 VanDerWaalsContact O-CG 3.22Å; D1156-H1160 PolarHBondContact O-N 3.34Å; D1156-L1188 HydrophobicContact CB-CD2 3.63Å; D1156-Q1191 VanDerWaalsContact N-OE1 3.14Å |
| 1157 | A | 61.6 | Low | 56.4 | Low | 7 Ų | 7 | 59.3 Ų | 59.3 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.3 | -31.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1155 L1159 H1160 M1161 Q1191 A1192 V1195 | N1155-A1157 PolarHBondContact O-N 2.74Å; N1155-A1157 VanDerWaalsContact O-N 3.17Å; N1155-A1157 PolarHBondContact OD1-N 3.47Å; A1157-L1159 VanDerWaalsContact C-N 3.28Å; A1157-L1159 PolarHBondContact O-N 3.13Å; A1157-H1160 PolarHBondContact O-N 2.73Å; A1157-H1160 VanDerWaalsContact O-N 3.12Å; A1157-M1161 WeakPolarHBondContact O-CB 3.36Å; A1157-M1161 WeakPolarHBondContact O-CG 3.17Å; A1157-M1161 PolarHBondContact O-N 2.59Å; A1157-Q1191 VanDerWaalsContact CB-C 3.47Å; A1157-Q1191 HydrophobicContact CB-CB 3.69Å; A1157-A1192 HydrophobicContact CB-CB 3.73Å; A1157-V1195 HydrophobicContact CB-CG2 4.48Å |
| 1158 | L | 65.9 | Low | 55.1 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64 | -35.6 | 174.1 | -115 | 158 | 0 | 0 | 0 | 111 | T943 A946 Q947 L1141 F1145 N1155 D1156 H1160 N1162 V1195 | T943-L1158 HydrophobicContact CG2-CD1 3.9Å; T943-L1158 HydrophobicContact CG2-CG 4.22Å; A946-L1158 HydrophobicContact CB-CD1 4.32Å; A946-L1158 HydrophobicContact CB-CD2 3.71Å; Q947-L1158 VanDerWaalsContact NE2-CD2 3.27Å; L1141-L1158 HydrophobicContact CD2-CB 3.73Å; L1141-L1158 HydrophobicContact CD2-CD2 3.75Å; L1141-L1158 HydrophobicContact CD2-CG 4.32Å; L1141-L1158 VanDerWaalsContact CD2-O 3.24Å; L1141-L1158 WeakPolarHBondContact CD2-O 3.16Å; F1145-L1158 HydrophobicContact CE2-CD1 3.73Å; F1145-L1158 HydrophobicContact CZ-CD1 3.44Å; F1145-L1158 VanDerWaalsContact CZ-CD1 3.44Å; N1155-L1158 HydrophobicContact CB-CB 4Å; N1155-L1158 HydrophobicContact CB-CD1 3.73Å; N1155-L1158 HydrophobicContact CB-CG 4.45Å; N1155-L1158 WeakPolarHBondContact O-CB 2.92Å; N1155-L1158 PolarHBondContact O-N 3.29Å; N1155-L1158 PolarHBondContact OD1-N 3.04Å; D1156-L1158 VanDerWaalsContact C-N 3.3Å; D1156-L1158 PolarHBondContact O-N 3.01Å; L1158-H1160 VanDerWaalsContact C-N 3.29Å; L1158-N1162 PolarHBondContact O-ND2 3.23Å; L1158-V1195 HydrophobicContact CB-CG2 4.34Å; L1158-V1195 HydrophobicContact CG-CG2 3.8Å |
| 1159 | L | 63.5 | Low | 54.2 | Low | 31 Ų | 31 | 63.2 Ų | 63.2 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.2 | -28.8 | 172.6 | -72.5 | 163.6 | 0 | 0 | 0 | 112.5 | L1141 N1155 D1156 A1157 | L1141-L1159 HydrophobicContact CB-CD2 3.72Å; L1141-L1159 HydrophobicContact CB-CG 4.29Å; L1141-L1159 HydrophobicContact CD1-CD2 4.39Å; L1141-L1159 HydrophobicContact CD2-CD2 4.44Å; L1141-L1159 HydrophobicContact CG-CD2 4.42Å; N1155-L1159 PolarHBondContact O-N 3.22Å; D1156-L1159 WeakPolarHBondContact O-CB 3.39Å; D1156-L1159 PolarHBondContact O-N 3.29Å; D1156-L1159 VanDerWaalsContact O-N 3.13Å; A1157-L1159 VanDerWaalsContact C-N 3.28Å; A1157-L1159 PolarHBondContact O-N 3.13Å |
| 1160 | H | 64.7 | Low | 53.6 | Low | 20 Ų | 20 | 61.3 Ų | 61.3 | 9% | 0.093 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -101.3 | -24.6 | -169.5 | -60.1 | -34.5 | 0 | 0 | 0 | 114.5 | P826 H828 D1156 A1157 L1158 | P826-H1160 HydrophobicContact CB-CB 4.11Å; P826-H1160 WeakPolarHBondContact CB-ND1 3.39Å; H828-H1160 PolarHBondContact CE1-O 3.36Å; H828-H1160 VanDerWaalsContact CE1-O 3.25Å; D1156-H1160 PolarHBondContact O-CD2 3.02Å; D1156-H1160 VanDerWaalsContact O-CG 3.22Å; D1156-H1160 PolarHBondContact O-N 3.34Å; A1157-H1160 PolarHBondContact O-N 2.73Å; A1157-H1160 VanDerWaalsContact O-N 3.12Å; L1158-H1160 VanDerWaalsContact C-N 3.29Å |
| 1161 | M | 65.7 | Low | 53.1 | Low | 7 Ų | 7 | 58.8 Ų | 58.8 | 3% | 0.034 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -103.5 | 20.1 | -171.7 | -62.9 | -164 | 78.6 | 0 | 0 | 115 | A899 E900 A1157 A1192 V1195 R1196 K1199 | A899-M1161 VanDerWaalsContact O-CE 3.27Å; A899-M1161 WeakPolarHBondContact O-CE 3.27Å; E900-M1161 HydrophobicContact CB-CE 4.44Å; E900-M1161 HydrophobicContact CG-CB 4.48Å; E900-M1161 HydrophobicContact CG-CE 3.98Å; E900-M1161 VanDerWaalsContact OE1-C 3.31Å; E900-M1161 VanDerWaalsContact OE1-CA 3.32Å; E900-M1161 WeakPolarHBondContact OE1-CA 3.46Å; A1157-M1161 WeakPolarHBondContact O-CB 3.36Å; A1157-M1161 WeakPolarHBondContact O-CG 3.17Å; A1157-M1161 PolarHBondContact O-N 2.59Å; M1161-A1192 VanDerWaalsContact SD-CA 3.57Å; M1161-A1192 HydrophobicContact SD-CB 3.43Å; M1161-A1192 WeakPolarHBondContact SD-CB 3.16Å; M1161-V1195 HydrophobicContact CB-CG1 3.96Å; M1161-V1195 HydrophobicContact SD-CB 4.48Å; M1161-R1196 HydrophobicContact CE-CG 3.56Å; M1161-R1196 HydrophobicContact SD-CG 4.34Å; M1161-K1199 PolarHBondContact O-NZ 3.37Å |
| 1162 | N | 65.7 | Low | 53 | Low | 25 Ų | 25 | 52.5 Ų | 52.5 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | trans | -116.7 | 44.1 | -174.3 | -75.4 | -21.6 | 0 | 0 | 0 | 113.6 | Q947 L950 L1158 F1164 K1199 | Q947-N1162 PolarHBondContact NE2-ND2 3.45Å; Q947-N1162 PolarHBondContact NE2-OD1 3.38Å; Q947-N1162 PolarHBondContact OE1-OD1 2.86Å; L950-N1162 HydrophobicContact CD1-CB 4.36Å; L950-N1162 WeakPolarHBondContact CD1-ND2 3.48Å; L1158-N1162 PolarHBondContact O-ND2 3.23Å; N1162-F1164 HydrophobicContact CB-CE2 4.41Å; N1162-F1164 WeakPolarHBondContact O-CD2 3.42Å; N1162-F1164 PolarHBondContact O-N 3.48Å; N1162-F1164 VanDerWaalsContact O-N 3.15Å; N1162-K1199 WeakPolarHBondContact OD1-CE 3.44Å; N1162-K1199 PolarHBondContact OD1-NZ 3.32Å | ||
| 1163 | T | 57.5 | Low | 52.8 | Low | 71 Ų | 71 | 54.1 Ų | 54.1 | 44% | 0.436 | 34% | 0.335 | S | S | . | . | trans | -69.2 | 107.8 | 169.2 | -45.3 | 0 | 0 | 0 | 0 | 109.9 | K846 E900 | K846-T1163 PolarHBondContact NZ-OG1 2.87Å; E900-T1163 PolarHBondContact OE1-OG1 2.93Å; E900-T1163 PolarHBondContact OE2-OG1 3.07Å | ||
| 1164 | F | 51.2 | Low | 52.2 | Low | 64 Ų | 64 | 55.4 Ų | 55.4 | 28% | 0.281 | 34% | 0.338 | S | S | . | . | trans | -83.6 | 136.3 | 170.4 | -75.5 | -91.6 | 0 | 0 | 0 | 110.5 | L950 A954 N1162 V1170 | L950-F1164 HydrophobicContact CB-CE2 3.95Å; L950-F1164 HydrophobicContact CB-CZ 3.97Å; A954-F1164 HydrophobicContact CB-CD1 4Å; A954-F1164 HydrophobicContact CB-CE1 4.04Å; A954-F1164 HydrophobicContact CB-CG 4.37Å; A954-F1164 HydrophobicContact CB-CZ 4.46Å; N1162-F1164 HydrophobicContact CB-CE2 4.41Å; N1162-F1164 WeakPolarHBondContact O-CD2 3.42Å; N1162-F1164 PolarHBondContact O-N 3.48Å; N1162-F1164 VanDerWaalsContact O-N 3.15Å; F1164-V1170 HydrophobicContact CB-CG2 4.31Å; F1164-V1170 HydrophobicContact CD2-CB 4.15Å; F1164-V1170 HydrophobicContact CD2-CG1 4.41Å; F1164-V1170 HydrophobicContact CD2-CG2 3.94Å; F1164-V1170 HydrophobicContact CE2-CB 4.47Å; F1164-V1170 HydrophobicContact CE2-CG1 4.27Å; F1164-V1170 HydrophobicContact CG-CG2 4.18Å | ||
| 1165 | E | 42.1 | Very low | 51.5 | Low | 201 Ų | 201 | 62.1 Ų | 62.1 | 94% | 0.939 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 128.2 | 172.2 | -69.5 | -173.1 | 160.8 | 0 | 0 | 110.1 | G1167 | E1165-G1167 VanDerWaalsContact C-N 3.31Å; E1165-G1167 PolarHBondContact O-N 3.31Å |
| 1166 | G | 37.6 | Very low | 50.3 | Low | 85 Ų | 85 | 68 Ų | 68 | 88% | 0.876 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | -1.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 1167 | G | 35.3 | Very low | 48.8 | Very low | 49 Ų | 49 | 75 Ų | 75 | 51% | 0.505 | 42% | 0.422 | S | S | . | . | trans | -93.7 | 146.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | E1165 | E1165-G1167 VanDerWaalsContact C-N 3.31Å; E1165-G1167 PolarHBondContact O-N 3.31Å | ||
| 1168 | S | 40.4 | Very low | 47.8 | Very low | 115 Ų | 115 | 81 Ų | 81 | 80% | 0.804 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -50.2 | 152.9 | 153.2 | -166.2 | 0 | 0 | 0 | 0 | 109.2 | V1170 | S1168-V1170 WeakPolarHBondContact O-CG2 3.41Å; S1168-V1170 PolarHBondContact O-N 2.97Å |
| 1169 | A | 43.3 | Very low | 46.5 | Very low | 62 Ų | 62 | 90.2 Ų | 90.2 | 51% | 0.512 | 49% | 0.492 | S | S | . | . | trans | -55.3 | 96.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P1138 A1171 T1172 | P1138-A1169 VanDerWaalsContact CB-O 3.24Å; P1138-A1169 WeakPolarHBondContact CB-O 3.23Å; A1169-A1171 PolarHBondContact O-N 3.19Å; A1169-T1172 HydrophobicContact CB-CG2 4.28Å | ||
| 1170 | V | 45.6 | Very low | 45.8 | Very low | 16 Ų | 16 | 97.7 Ų | 97.7 | 10% | 0.097 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -59 | -28.9 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 110 | L950 F953 A954 Y1139 F1164 S1168 | L950-V1170 HydrophobicContact CB-CG1 4.47Å; L950-V1170 HydrophobicContact CD2-CG1 4.05Å; L950-V1170 WeakPolarHBondContact O-CG1 3.34Å; F953-V1170 HydrophobicContact CB-CG1 4.45Å; F953-V1170 HydrophobicContact CD1-CG1 3.86Å; A954-V1170 HydrophobicContact CB-CG1 4.06Å; A954-V1170 HydrophobicContact CB-CG2 3.7Å; Y1139-V1170 PolarHBondContact N-O 3.18Å; F1164-V1170 HydrophobicContact CB-CG2 4.31Å; F1164-V1170 HydrophobicContact CD2-CB 4.15Å; F1164-V1170 HydrophobicContact CD2-CG1 4.41Å; F1164-V1170 HydrophobicContact CD2-CG2 3.94Å; F1164-V1170 HydrophobicContact CE2-CB 4.47Å; F1164-V1170 HydrophobicContact CE2-CG1 4.27Å; F1164-V1170 HydrophobicContact CG-CG2 4.18Å; S1168-V1170 WeakPolarHBondContact O-CG2 3.41Å; S1168-V1170 PolarHBondContact O-N 2.97Å |
| 1171 | A | 43.3 | Very low | 45.4 | Very low | 37 Ų | 37 | 101.1 Ų | 101.1 | 31% | 0.306 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -130.3 | 139.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L950 Y1139 L1141 A1169 | L950-A1171 HydrophobicContact CD2-CB 4.27Å; Y1139-A1171 WeakPolarHBondContact O-CA 3.42Å; Y1139-A1171 WeakPolarHBondContact O-CB 3.41Å; L1141-A1171 HydrophobicContact CD1-CB 3.35Å; A1169-A1171 PolarHBondContact O-N 3.19Å |
| 1172 | T | 48.3 | Very low | 45.4 | Very low | 66 Ų | 66 | 106.7 Ų | 106.7 | 41% | 0.405 | 59% | 0.586 | S | S | . | * | trans | -112.1 | 148.4 | 167.8 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | P1138 A1169 | P1138-T1172 HydrophobicContact CB-CG2 4.25Å; P1138-T1172 HydrophobicContact CG-CG2 3.54Å; P1138-T1172 VanDerWaalsContact CG-OG1 3.25Å; P1138-T1172 WeakPolarHBondContact CG-OG1 3.45Å; A1169-T1172 HydrophobicContact CB-CG2 4.28Å | ||
| 1173 | M | 44.7 | Very low | 45.5 | Very low | 83 Ų | 83 | 107.5 Ų | 107.5 | 41% | 0.409 | 59% | 0.591 | S | S | . | * | trans | -93.2 | 124.4 | 175.1 | -60.7 | 178.5 | -173.3 | 0 | 0 | 110.4 | P823 | P823-M1173 HydrophobicContact CB-CE 4.46Å; P823-M1173 HydrophobicContact CB-SD 4.37Å | ||
| 1174 | K | 39.3 | Very low | 46.7 | Very low | 144 Ų | 144 | 107.8 Ų | 107.8 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | trans | -116.7 | 89.1 | 158.2 | -170.7 | -175.4 | 175.2 | -177.5 | 0 | 108.4 | E1140 Q1176 | E1140-K1174 VanDerWaalsContact OE1-CA 3.3Å; E1140-K1174 WeakPolarHBondContact OE1-CA 3.23Å; E1140-K1174 WeakPolarHBondContact OE1-CB 3.36Å; E1140-K1174 PolarHBondContact OE1-N 3.42Å; K1174-Q1176 PolarHBondContact O-N 2.93Å; K1174-Q1176 VanDerWaalsContact O-N 3.14Å | ||
| 1175 | R | 38 | Very low | 48.3 | Very low | 175 Ų | 175 | 109.4 Ų | 109.4 | 66% | 0.66 | 60% | 0.598 | S | S | * | * | trans | -70.9 | 107.7 | 160.6 | -85.1 | -173.4 | -178.8 | 175.4 | 1 | 108.1 | M1177 | R1175-M1177 PolarHBondContact O-N 3.12Š| ||
| 1176 | Q | 37.9 | Very low | 50.5 | Low | 141 Ų | 141 | 105.5 Ų | 105.5 | 66% | 0.659 | 58% | 0.578 | S | S | * | * | trans | -60.2 | 126.3 | 147.8 | -88.5 | 177.7 | -35.7 | 0 | 0 | 106.8 | K1174 Q1178 | K1174-Q1176 PolarHBondContact O-N 2.93Å; K1174-Q1176 VanDerWaalsContact O-N 3.14Å; Q1176-Q1178 PolarHBondContact O-N 2.94Å | ||
| 1177 | M | 33.3 | Very low | 52.8 | Low | 176 Ų | 176 | 105.6 Ų | 105.6 | 87% | 0.867 | 55% | 0.554 | S | S | * | * | trans | -67.5 | 61.6 | 176.4 | -173.9 | 82.7 | 157.7 | 0 | 0 | 109.8 | R1175 | R1175-M1177 PolarHBondContact O-N 3.12Š| ||
| 1178 | Q | 39.8 | Very low | 55.1 | Low | 133 Ų | 133 | 104.3 Ų | 104.3 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | trans | -85.6 | 115.2 | 160.5 | -110.7 | 75.2 | 12.5 | 0 | 0 | 106.2 | Q1176 R1180 | Q1176-Q1178 PolarHBondContact O-N 2.94Å; Q1178-R1180 VanDerWaalsContact C-N 3.26Å; Q1178-R1180 PolarHBondContact O-N 3.31Å | ||
| 1179 | Q | 40.5 | Very low | 57.4 | Low | 193 Ų | 193 | 100.3 Ų | 100.3 | 90% | 0.902 | 50% | 0.503 | S | S | * | . | trans | -50.4 | 86.2 | 168.5 | -68.9 | -96.3 | 36.7 | 0 | 0 | 109.8 | ||||
| 1180 | R | 48.9 | Very low | 59.7 | Low | 189 Ų | 189 | 101.9 Ų | 101.9 | 71% | 0.713 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -99 | 140.3 | 174.5 | -80 | -176.4 | 174.9 | 179.1 | -0.7 | 109.1 | Q1178 | Q1178-R1180 VanDerWaalsContact C-N 3.26Å; Q1178-R1180 PolarHBondContact O-N 3.31Å |
| 1181 | A | 56.2 | Low | 61.7 | Low | 91 Ų | 91 | 102.4 Ų | 102.4 | 75% | 0.752 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 132.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | L1183 | A1181-L1183 PolarHBondContact O-N 3.12Š|
| 1182 | P | 63.8 | Low | 63.7 | Low | 125 Ų | 125 | 101.1 Ų | 101.1 | 81% | 0.812 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 132.1 | 177.8 | 23.7 | -31.6 | 0 | 0 | 0 | 110.2 | ||
| 1183 | L | 69.3 | Low | 65.8 | Low | 42 Ų | 42 | 99.8 Ų | 99.8 | 22% | 0.22 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 144.5 | 175.2 | -78.8 | 162.1 | 0 | 0 | 0 | 110.2 | A1181 R1185 K1187 L1188 | A1181-L1183 PolarHBondContact O-N 3.12Å; L1183-R1185 PolarHBondContact O-N 2.75Å; L1183-K1187 HydrophobicContact CD2-CD 4.18Å; L1183-L1188 HydrophobicContact CB-CD1 4.46Å; L1183-L1188 HydrophobicContact CB-CD2 4.08Å; L1183-L1188 HydrophobicContact CB-CG 4Å; L1183-L1188 HydrophobicContact CD1-CD2 3.95Å |
| 1184 | P | 82.7 | Confident | 68 | Low | 77 Ų | 77 | 97 Ų | 97 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 135.8 | 171.8 | -23.9 | 32.4 | 0 | 0 | 0 | 111.2 | K1186 K1187 L1188 | P1184-K1186 PolarHBondContact O-N 2.88Å; P1184-K1187 PolarHBondContact O-N 2.72Å; P1184-L1188 PolarHBondContact O-N 2.86Å |
| 1185 | R | 83.7 | Confident | 70.5 | Confident | 98 Ų | 98 | 90.1 Ų | 90.1 | 37% | 0.37 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -49.4 | -35.8 | -178.8 | -63.4 | -175.8 | -178.1 | 163.5 | 4.1 | 113.2 | I829 Y841 S843 E860 L1183 K1187 L1188 Y1189 | I829-R1185 HydrophobicContact CD1-CB 4.13Å; I829-R1185 HydrophobicContact CD1-CG 4.01Å; I829-R1185 HydrophobicContact CG1-CB 4.39Å; I829-R1185 HydrophobicContact CG2-CB 4.25Å; Y841-R1185 VanDerWaalsContact O-CD 3.28Å; Y841-R1185 WeakPolarHBondContact O-CD 3.49Å; Y841-R1185 PolarHBondContact O-NH1 3.49Å; S843-R1185 PolarHBondContact OG-NE 2.8Å; E860-R1185 IonicContact OE1-CZ 3.57Å; E860-R1185 IonicContact OE1-NH1 2.85Å; E860-R1185 PolarHBondContact OE1-NH1 2.99Å; E860-R1185 IonicContact OE1-NH2 3.51Å; L1183-R1185 PolarHBondContact O-N 2.75Å; R1185-K1187 PolarHBondContact O-N 2.89Å; R1185-L1188 PolarHBondContact O-N 2.8Å; R1185-Y1189 PolarHBondContact O-N 3.3Å |
| 1186 | K | 88.6 | Confident | 73 | Confident | 118 Ų | 118 | 83 Ų | 83 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 176.2 | -178.4 | 178.5 | 173.2 | -177.2 | 0 | 112.7 | Y841 P1184 Y1189 E1190 | Y841-K1186 HydrophobicContact CD2-CB 4.35Å; Y841-K1186 HydrophobicContact CE2-CB 3.95Å; Y841-K1186 HydrophobicContact CE2-CG 4.08Å; P1184-K1186 PolarHBondContact O-N 2.88Å; K1186-Y1189 WeakPolarHBondContact O-CB 3.23Å; K1186-Y1189 PolarHBondContact O-N 2.82Å; K1186-E1190 WeakPolarHBondContact CE-OE1 3.38Å; K1186-E1190 WeakPolarHBondContact O-CG 3.37Å; K1186-E1190 PolarHBondContact O-N 2.81Å |
| 1187 | K | 86.4 | Confident | 75.6 | Confident | 87 Ų | 87 | 79.4 Ų | 79.4 | 38% | 0.378 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 179.9 | -71.5 | -169.1 | 176.8 | -176.4 | 0 | 111.5 | L1183 P1184 R1185 Y1189 E1190 Q1191 | L1183-K1187 HydrophobicContact CD2-CD 4.18Å; P1184-K1187 PolarHBondContact O-N 2.72Å; R1185-K1187 PolarHBondContact O-N 2.89Å; K1187-Y1189 VanDerWaalsContact C-N 3.31Å; K1187-Y1189 PolarHBondContact O-N 3.31Å; K1187-E1190 PolarHBondContact O-N 2.96Å; K1187-Q1191 WeakPolarHBondContact O-CB 3.24Å; K1187-Q1191 WeakPolarHBondContact O-CG 3.44Å; K1187-Q1191 PolarHBondContact O-N 3.2Å |
| 1188 | L | 83.8 | Confident | 78.5 | Confident | 23 Ų | 23 | 71 Ų | 71 | 12% | 0.12 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 175 | -68.7 | 175.9 | 0 | 0 | 0 | 111.8 | I829 D1156 L1183 P1184 R1185 Q1191 A1192 | I829-L1188 HydrophobicContact CD1-CD1 4.26Å; I829-L1188 HydrophobicContact CG1-CB 3.58Å; I829-L1188 HydrophobicContact CG1-CD1 4.07Å; I829-L1188 HydrophobicContact CG1-CG 4.5Å; D1156-L1188 HydrophobicContact CB-CD2 3.63Å; L1183-L1188 HydrophobicContact CB-CD1 4.46Å; L1183-L1188 HydrophobicContact CB-CD2 4.08Å; L1183-L1188 HydrophobicContact CB-CG 4Å; L1183-L1188 HydrophobicContact CD1-CD2 3.95Å; P1184-L1188 PolarHBondContact O-N 2.86Å; R1185-L1188 PolarHBondContact O-N 2.8Å; L1188-Q1191 WeakPolarHBondContact O-CB 3.39Å; L1188-A1192 WeakPolarHBondContact O-CB 3.09Å; L1188-A1192 PolarHBondContact O-N 2.89Å |
| 1189 | Y | 88.9 | Confident | 81 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 12% | 0.118 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 173.8 | 179.6 | -93.7 | 0 | 0 | 0 | 112.9 | I829 K831 Y841 R1185 K1186 K1187 Q1191 A1192 L1193 | I829-Y1189 HydrophobicContact CG2-CD2 4.42Å; K831-Y1189 HydrophobicContact CB-CD2 4Å; K831-Y1189 HydrophobicContact CB-CE1 4.36Å; K831-Y1189 HydrophobicContact CB-CE2 3.49Å; K831-Y1189 VanDerWaalsContact CB-CE2 3.49Å; K831-Y1189 HydrophobicContact CD-CE1 4.02Å; Y841-Y1189 HydrophobicContact CD1-CD2 4.24Å; Y841-Y1189 AromaticContact CD1-CG 3.95Å; Y841-Y1189 HydrophobicContact CD1-CG 3.95Å; Y841-Y1189 AromaticContact CE1-CD1 3.6Å; Y841-Y1189 HydrophobicContact CE1-CD1 3.6Å; Y841-Y1189 HydrophobicContact CE1-CD2 4.04Å; Y841-Y1189 HydrophobicContact CE1-CE1 4.26Å; Y841-Y1189 AromaticContact CE1-CG 3.46Å; Y841-Y1189 HydrophobicContact CE1-CG 3.46Å; Y841-Y1189 VanDerWaalsContact CE1-CG 3.46Å; R1185-Y1189 PolarHBondContact O-N 3.3Å; K1186-Y1189 WeakPolarHBondContact O-CB 3.23Å; K1186-Y1189 PolarHBondContact O-N 2.82Å; K1187-Y1189 VanDerWaalsContact C-N 3.31Å; K1187-Y1189 PolarHBondContact O-N 3.31Å; Y1189-Q1191 VanDerWaalsContact C-N 3.34Å; Y1189-A1192 PolarHBondContact O-N 3.42Å; Y1189-L1193 HydrophobicContact CE1-CD2 4.28Å; Y1189-L1193 WeakPolarHBondContact O-CB 3.17Å; Y1189-L1193 PolarHBondContact O-N 2.81Å |
| 1190 | E | 90.1 | Very high | 83.4 | Confident | 96 Ų | 96 | 59.1 Ų | 59.1 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 178 | -74.4 | 170.5 | -177.4 | 0 | 0 | 111.9 | K1186 K1187 L1193 M1194 | K1186-E1190 WeakPolarHBondContact CE-OE1 3.38Å; K1186-E1190 WeakPolarHBondContact O-CG 3.37Å; K1186-E1190 PolarHBondContact O-N 2.81Å; K1187-E1190 PolarHBondContact O-N 2.96Å; E1190-L1193 PolarHBondContact O-N 2.86Å; E1190-M1194 WeakPolarHBondContact O-CB 3.41Å; E1190-M1194 PolarHBondContact O-N 2.78Å |
| 1191 | Q | 87.5 | Confident | 85.6 | Confident | 26 Ų | 26 | 50.7 Ų | 50.7 | 12% | 0.121 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.8 | -48.5 | 170.8 | -83.5 | -176.3 | 2.4 | 0 | 0 | 111.8 | N1155 D1156 A1157 K1187 L1188 Y1189 L1193 M1194 V1195 | N1155-Q1191 WeakPolarHBondContact OD1-CB 3.24Å; N1155-Q1191 WeakPolarHBondContact OD1-CG 2.8Å; N1155-Q1191 PolarHBondContact OD1-OE1 3.39Å; D1156-Q1191 VanDerWaalsContact N-OE1 3.14Å; A1157-Q1191 VanDerWaalsContact CB-C 3.47Å; A1157-Q1191 HydrophobicContact CB-CB 3.69Å; K1187-Q1191 WeakPolarHBondContact O-CB 3.24Å; K1187-Q1191 WeakPolarHBondContact O-CG 3.44Å; K1187-Q1191 PolarHBondContact O-N 3.2Å; L1188-Q1191 WeakPolarHBondContact O-CB 3.39Å; Y1189-Q1191 VanDerWaalsContact C-N 3.34Å; Q1191-L1193 PolarHBondContact O-N 2.8Å; Q1191-M1194 WeakPolarHBondContact O-CB 3.39Å; Q1191-M1194 PolarHBondContact O-N 2.8Å; Q1191-V1195 WeakPolarHBondContact O-CG2 3.19Å; Q1191-V1195 PolarHBondContact O-N 2.92Å |
| 1192 | A | 86.8 | Confident | 87.3 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | A1157 M1161 L1188 Y1189 V1195 R1196 | A1157-A1192 HydrophobicContact CB-CB 3.73Å; M1161-A1192 VanDerWaalsContact SD-CA 3.57Å; M1161-A1192 HydrophobicContact SD-CB 3.43Å; M1161-A1192 WeakPolarHBondContact SD-CB 3.16Å; L1188-A1192 WeakPolarHBondContact O-CB 3.09Å; L1188-A1192 PolarHBondContact O-N 2.89Å; Y1189-A1192 PolarHBondContact O-N 3.42Å; A1192-V1195 PolarHBondContact O-N 3.2Å; A1192-R1196 WeakPolarHBondContact O-CG 3.28Å; A1192-R1196 PolarHBondContact O-N 3.49Å |
| 1193 | L | 90.8 | Very high | 88.5 | Confident | 38 Ų | 38 | 46.6 Ų | 46.6 | 20% | 0.199 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 173.8 | -177.8 | 60.4 | 0 | 0 | 0 | 111.4 | L904 Y1189 E1190 Q1191 V1195 R1196 R1197 | L904-L1193 HydrophobicContact CD2-CD1 3.99Å; Y1189-L1193 HydrophobicContact CE1-CD2 4.28Å; Y1189-L1193 WeakPolarHBondContact O-CB 3.17Å; Y1189-L1193 PolarHBondContact O-N 2.81Å; E1190-L1193 PolarHBondContact O-N 2.86Å; Q1191-L1193 PolarHBondContact O-N 2.8Å; L1193-V1195 PolarHBondContact O-N 3Å; L1193-R1196 PolarHBondContact O-N 2.97Å; L1193-R1197 WeakPolarHBondContact O-CG 3.46Å; L1193-R1197 PolarHBondContact O-N 2.78Å |
| 1194 | M | 92.4 | Very high | 89.2 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 175.9 | -178.6 | 63.8 | 71.8 | 0 | 0 | 111.5 | L939 H940 T943 E1190 Q1191 R1197 V1198 | L939-M1194 HydrophobicContact CD2-SD 4.34Å; H940-M1194 HydrophobicContact CB-CE 4.42Å; H940-M1194 HydrophobicContact CB-CG 4.25Å; H940-M1194 HydrophobicContact CB-SD 4.16Å; H940-M1194 WeakPolarHBondContact CD2-CE 3.45Å; H940-M1194 WeakPolarHBondContact NE2-CE 3.48Å; T943-M1194 HydrophobicContact CG2-CG 4.33Å; E1190-M1194 WeakPolarHBondContact O-CB 3.41Å; E1190-M1194 PolarHBondContact O-N 2.78Å; Q1191-M1194 WeakPolarHBondContact O-CB 3.39Å; Q1191-M1194 PolarHBondContact O-N 2.8Å; M1194-R1197 PolarHBondContact O-N 3.32Å; M1194-V1198 WeakPolarHBondContact O-CG2 3.24Å; M1194-V1198 PolarHBondContact O-N 2.89Å |
| 1195 | V | 90.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 175.2 | 175 | 0 | 0 | 0 | 0 | 111.5 | T943 A1157 L1158 M1161 Q1191 A1192 L1193 R1197 V1198 K1199 | T943-V1195 HydrophobicContact CG2-CG2 3.93Å; A1157-V1195 HydrophobicContact CB-CG2 4.48Å; L1158-V1195 HydrophobicContact CB-CG2 4.34Å; L1158-V1195 HydrophobicContact CG-CG2 3.8Å; M1161-V1195 HydrophobicContact CB-CG1 3.96Å; M1161-V1195 HydrophobicContact SD-CB 4.48Å; Q1191-V1195 WeakPolarHBondContact O-CG2 3.19Å; Q1191-V1195 PolarHBondContact O-N 2.92Å; A1192-V1195 PolarHBondContact O-N 3.2Å; L1193-V1195 PolarHBondContact O-N 3Å; V1195-R1197 VanDerWaalsContact C-N 3.35Å; V1195-R1197 PolarHBondContact O-N 2.77Å; V1195-V1198 PolarHBondContact O-N 2.89Å; V1195-K1199 HydrophobicContact CG1-CD 4.41Å; V1195-K1199 WeakPolarHBondContact O-CG 3.44Å; V1195-K1199 PolarHBondContact O-N 3.22Å |
| 1196 | R | 91.4 | Very high | 89.7 | Confident | 26 Ų | 26 | 54.2 Ų | 54.2 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.3 | -73.9 | -175.8 | -74.8 | 152.5 | -5.3 | 112.4 | I902 L904 M1161 A1192 L1193 V1198 K1199 A1200 | I902-R1196 PolarHBondContact O-NH1 2.74Å; L904-R1196 HydrophobicContact CD2-CB 3.85Å; M1161-R1196 HydrophobicContact CE-CG 3.56Å; M1161-R1196 HydrophobicContact SD-CG 4.34Å; A1192-R1196 WeakPolarHBondContact O-CG 3.28Å; A1192-R1196 PolarHBondContact O-N 3.49Å; L1193-R1196 PolarHBondContact O-N 2.97Å; R1196-V1198 VanDerWaalsContact C-N 3.35Å; R1196-V1198 PolarHBondContact O-N 3.18Å; R1196-K1199 PolarHBondContact O-N 3.32Å; R1196-A1200 WeakPolarHBondContact O-CB 3.33Å; R1196-A1200 PolarHBondContact O-N 3.07Å |
| 1197 | R | 93.3 | Very high | 90 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 175.5 | -76.7 | -178.1 | 167.1 | 174.8 | -4.1 | 112 | L904 E931 T934 L939 L1193 M1194 V1195 Y1201 | L904-R1197 HydrophobicContact CD1-CG 4.16Å; L904-R1197 HydrophobicContact CD2-CG 3.9Å; E931-R1197 PolarHBondContact O-NH2 2.81Å; T934-R1197 HydrophobicContact CG2-CB 3.89Å; T934-R1197 HydrophobicContact CG2-CG 3.96Å; L939-R1197 HydrophobicContact CD2-CB 3.8Å; L1193-R1197 WeakPolarHBondContact O-CG 3.46Å; L1193-R1197 PolarHBondContact O-N 2.78Å; M1194-R1197 PolarHBondContact O-N 3.32Å; V1195-R1197 VanDerWaalsContact C-N 3.35Å; V1195-R1197 PolarHBondContact O-N 2.77Å; R1197-Y1201 VanDerWaalsContact O-CB 3.32Å; R1197-Y1201 WeakPolarHBondContact O-CB 3.23Å; R1197-Y1201 PolarHBondContact O-N 2.82Å |
| 1198 | V | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 175.8 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | L939 T943 L944 Q947 M1194 V1195 R1196 Y1201 L1202 | L939-V1198 HydrophobicContact CB-CG2 4.27Å; L939-V1198 HydrophobicContact CD1-CG2 4.35Å; L939-V1198 HydrophobicContact CD2-CG2 4.13Å; L939-V1198 HydrophobicContact CG-CG2 4.49Å; T943-V1198 HydrophobicContact CG2-CB 4.33Å; T943-V1198 HydrophobicContact CG2-CG2 3.88Å; L944-V1198 HydrophobicContact CD2-CB 4.4Å; L944-V1198 HydrophobicContact CD2-CG1 3.6Å; L944-V1198 HydrophobicContact CD2-CG2 4.21Å; L944-V1198 HydrophobicContact CG-CG1 4Å; L944-V1198 HydrophobicContact CG-CG2 3.91Å; Q947-V1198 HydrophobicContact CB-CG1 3.89Å; Q947-V1198 HydrophobicContact CG-CG1 3.67Å; M1194-V1198 WeakPolarHBondContact O-CG2 3.24Å; M1194-V1198 PolarHBondContact O-N 2.89Å; V1195-V1198 PolarHBondContact O-N 2.89Å; R1196-V1198 VanDerWaalsContact C-N 3.35Å; R1196-V1198 PolarHBondContact O-N 3.18Å; V1198-Y1201 PolarHBondContact O-N 2.9Å; V1198-L1202 HydrophobicContact CG1-CD1 4.01Å; V1198-L1202 HydrophobicContact CG1-CG 4.5Å; V1198-L1202 WeakPolarHBondContact O-CG 3.35Å; V1198-L1202 PolarHBondContact O-N 3Å |
| 1199 | K | 91.9 | Very high | 90.6 | Very high | 59 Ų | 59 | 52 Ų | 52 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 178.8 | -73.7 | -171.9 | 172.4 | -167.8 | 0 | 112.6 | M1161 N1162 V1195 R1196 Y1201 L1202 N1203 | M1161-K1199 PolarHBondContact O-NZ 3.37Å; N1162-K1199 WeakPolarHBondContact OD1-CE 3.44Å; N1162-K1199 PolarHBondContact OD1-NZ 3.32Å; V1195-K1199 HydrophobicContact CG1-CD 4.41Å; V1195-K1199 WeakPolarHBondContact O-CG 3.44Å; V1195-K1199 PolarHBondContact O-N 3.22Å; R1196-K1199 PolarHBondContact O-N 3.32Å; K1199-Y1201 VanDerWaalsContact C-N 3.34Å; K1199-Y1201 PolarHBondContact O-N 2.67Å; K1199-L1202 PolarHBondContact O-N 3.12Å; K1199-N1203 VanDerWaalsContact O-CB 3.3Å; K1199-N1203 WeakPolarHBondContact O-CB 3.26Å; K1199-N1203 PolarHBondContact O-N 3.41Å; K1199-N1203 PolarHBondContact O-ND2 2.63Å |
| 1200 | A | 91.4 | Very high | 90.6 | Very high | 17 Ų | 17 | 53.6 Ų | 53.6 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L904 R1196 N1203 Y1204 | L904-A1200 HydrophobicContact CD1-CB 3.43Å; L904-A1200 VanDerWaalsContact CD1-CB 3.43Å; L904-A1200 HydrophobicContact CG-CB 4.31Å; R1196-A1200 WeakPolarHBondContact O-CB 3.33Å; R1196-A1200 PolarHBondContact O-N 3.07Å; A1200-N1203 PolarHBondContact O-N 3.02Å; A1200-Y1204 HydrophobicContact CB-CD2 4.3Å; A1200-Y1204 HydrophobicContact CB-CE2 4.43Å; A1200-Y1204 WeakPolarHBondContact O-CD2 3.27Å; A1200-Y1204 PolarHBondContact O-N 2.8Å |
| 1201 | Y | 94.8 | Very high | 90.4 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.5 | -50.8 | 177.1 | 173.2 | -97.1 | 0 | 0 | 0 | 112.2 | L936 L939 L944 W993 E997 R1197 V1198 K1199 N1203 F1205 | L936-Y1201 HydrophobicContact CB-CE2 4.08Å; L936-Y1201 HydrophobicContact CD1-CE1 3.93Å; L939-Y1201 HydrophobicContact CD1-CD1 3.63Å; L939-Y1201 HydrophobicContact CD1-CD2 4.19Å; L939-Y1201 HydrophobicContact CD1-CE1 4.35Å; L939-Y1201 HydrophobicContact CD1-CG 3.54Å; L944-Y1201 HydrophobicContact CD2-CD1 4.25Å; W993-Y1201 AromaticContact CE2-CE1 3.98Å; W993-Y1201 AromaticContact CZ2-CE1 3.73Å; W993-Y1201 HydrophobicContact CZ2-CE1 3.73Å; W993-Y1201 AromaticContact NE1-CE1 3.77Å; W993-Y1201 AromaticContact NE1-CZ 3.72Å; W993-Y1201 PolarHBondContact NE1-OH 3.34Å; E997-Y1201 WeakPolarHBondContact CG-OH 3.5Å; E997-Y1201 PolarHBondContact OE1-OH 2.79Å; R1197-Y1201 VanDerWaalsContact O-CB 3.32Å; R1197-Y1201 WeakPolarHBondContact O-CB 3.23Å; R1197-Y1201 PolarHBondContact O-N 2.82Å; V1198-Y1201 PolarHBondContact O-N 2.9Å; K1199-Y1201 VanDerWaalsContact C-N 3.34Å; K1199-Y1201 PolarHBondContact O-N 2.67Å; Y1201-N1203 VanDerWaalsContact C-N 3.32Å; Y1201-N1203 PolarHBondContact O-N 2.78Å; Y1201-F1205 HydrophobicContact CE2-CD2 4.17Å; Y1201-F1205 WeakPolarHBondContact O-CB 3.35Å; Y1201-F1205 PolarHBondContact O-N 3.04Å |
| 1202 | L | 92.1 | Very high | 90.5 | Very high | 21 Ų | 21 | 53.2 Ų | 53.2 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -34.5 | -179.1 | -68 | 175.2 | 0 | 0 | 0 | 113.2 | L944 Q947 L948 R989 W993 V1198 K1199 | L944-L1202 HydrophobicContact CD2-CD1 4.37Å; L944-L1202 HydrophobicContact CD2-CD2 4.14Å; L944-L1202 HydrophobicContact CD2-CG 4.23Å; Q947-L1202 HydrophobicContact CB-CD1 4.16Å; L948-L1202 HydrophobicContact CD2-CD1 3.92Å; L948-L1202 HydrophobicContact CD2-CD2 3.92Å; R989-L1202 PolarHBondContact NH2-O 3.23Å; W993-L1202 HydrophobicContact CH2-CD2 4.37Å; W993-L1202 HydrophobicContact CZ2-CD2 4.37Å; V1198-L1202 HydrophobicContact CG1-CD1 4.01Å; V1198-L1202 HydrophobicContact CG1-CG 4.5Å; V1198-L1202 WeakPolarHBondContact O-CG 3.35Å; V1198-L1202 PolarHBondContact O-N 3Å; K1199-L1202 PolarHBondContact O-N 3.12Å |
| 1203 | N | 88.6 | Confident | 90.8 | Very high | 110 Ų | 110 | 54.4 Ų | 54.4 | 59% | 0.588 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -75.4 | -41.3 | -179.1 | -73.3 | -11.8 | 0 | 0 | 0 | 113.1 | K1199 A1200 Y1201 | K1199-N1203 VanDerWaalsContact O-CB 3.3Å; K1199-N1203 WeakPolarHBondContact O-CB 3.26Å; K1199-N1203 PolarHBondContact O-N 3.41Å; K1199-N1203 PolarHBondContact O-ND2 2.63Å; A1200-N1203 PolarHBondContact O-N 3.02Å; Y1201-N1203 VanDerWaalsContact C-N 3.32Å; Y1201-N1203 PolarHBondContact O-N 2.78Å |
| 1204 | Y | 84.6 | Confident | 91 | Very high | 190 Ų | 190 | 52.6 Ų | 52.6 | 75% | 0.745 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -96 | -6.2 | -174.8 | -62.4 | -65.1 | 0 | 0 | 0 | 113.9 | A1200 Q1206 | A1200-Y1204 HydrophobicContact CB-CD2 4.3Å; A1200-Y1204 HydrophobicContact CB-CE2 4.43Å; A1200-Y1204 WeakPolarHBondContact O-CD2 3.27Å; A1200-Y1204 PolarHBondContact O-N 2.8Å; Y1204-Q1206 PolarHBondContact O-N 3.49Å |
| 1205 | F | 87 | Confident | 90.9 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | trans | -68.4 | 126.3 | 177.8 | -176.2 | -96.6 | 0 | 0 | 0 | 112 | R989 W993 T996 E997 Y1201 V1207 | R989-F1205 PolarHBondContact NH2-O 3.36Å; W993-F1205 HydrophobicContact CB-CE1 4.42Å; W993-F1205 AromaticContact CD1-CD1 3.47Å; W993-F1205 VanDerWaalsContact CD1-CD1 3.47Å; W993-F1205 AromaticContact CD1-CE1 3.34Å; W993-F1205 AromaticContact CD1-CZ 3.92Å; W993-F1205 HydrophobicContact CG-CD1 4.3Å; W993-F1205 HydrophobicContact CG-CE1 4.23Å; T996-F1205 HydrophobicContact CG2-CE1 4Å; T996-F1205 HydrophobicContact CG2-CZ 3.63Å; E997-F1205 HydrophobicContact CG-CE1 4.42Å; E997-F1205 HydrophobicContact CG-CE2 3.79Å; E997-F1205 HydrophobicContact CG-CZ 3.64Å; E997-F1205 WeakPolarHBondContact OE1-CD2 3.46Å; E997-F1205 WeakPolarHBondContact OE1-CE2 3.45Å; Y1201-F1205 HydrophobicContact CE2-CD2 4.17Å; Y1201-F1205 WeakPolarHBondContact O-CB 3.35Å; Y1201-F1205 PolarHBondContact O-N 3.04Å; F1205-V1207 HydrophobicContact CD1-CG2 3.69Å; F1205-V1207 HydrophobicContact CE1-CB 4.46Å; F1205-V1207 HydrophobicContact CE1-CG2 3.82Å | ||
| 1206 | Q | 90.2 | Very high | 91.1 | Very high | 154 Ų | 154 | 59.3 Ų | 59.3 | 72% | 0.72 | 28% | 0.283 | S | S | * | . | trans | -90.6 | 107.6 | 176.9 | -67.4 | 179.5 | 3.4 | 0 | 0 | 110.7 | K1000 Y1204 | K1000-Q1206 PolarHBondContact NZ-O 2.74Å; Y1204-Q1206 PolarHBondContact O-N 3.49Å | ||
| 1207 | V | 93.7 | Very high | 91.3 | Very high | 34 Ų | 34 | 58.8 Ų | 58.8 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | trans | -79.7 | 133.3 | 175.5 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | R989 W992 W993 F1205 | R989-V1207 HydrophobicContact CG-CG2 3.96Å; W992-V1207 HydrophobicContact CB-CG1 3.31Å; W992-V1207 HydrophobicContact CG-CG1 4.5Å; W993-V1207 HydrophobicContact CB-CG2 4Å; F1205-V1207 HydrophobicContact CD1-CG2 3.69Å; F1205-V1207 HydrophobicContact CE1-CB 4.46Å; F1205-V1207 HydrophobicContact CE1-CG2 3.82Å | ||
| 1208 | I | 93.5 | Very high | 91.4 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | trans | -97.2 | 116.4 | 168.3 | -60.4 | 175.6 | 0 | 0 | 0 | 106.5 | T996 D1210 T1213 L1214 L1217 | T996-I1208 HydrophobicContact CG2-CB 4.07Å; T996-I1208 HydrophobicContact CG2-CD1 4.13Å; T996-I1208 HydrophobicContact CG2-CG1 3.85Å; T996-I1208 PolarHBondContact OG1-N 3.01Å; T996-I1208 PolarHBondContact OG1-O 3.17Å; T996-I1208 VanDerWaalsContact OG1-O 3.12Å; I1208-D1210 HydrophobicContact CG2-CB 4.49Å; I1208-T1213 HydrophobicContact CD1-CG2 4.07Å; I1208-T1213 HydrophobicContact CG2-CG2 3.74Å; I1208-L1214 HydrophobicContact CB-CD2 4.18Å; I1208-L1214 HydrophobicContact CB-CG 4.38Å; I1208-L1214 HydrophobicContact CG2-CD2 4.24Å; I1208-L1214 HydrophobicContact CG2-CG 3.99Å; I1208-L1217 HydrophobicContact CD1-CD1 3.67Å | ||
| 1209 | D | 90 | Very high | 91.4 | Very high | 114 Ų | 114 | 59.4 Ų | 59.4 | 61% | 0.61 | 29% | 0.29 | S | S | * | . | trans | -100.9 | -7.7 | 178.1 | 55.6 | -4.5 | 0 | 0 | 0 | 113.3 | W992 E1211 | W992-D1209 HydrophobicContact CD2-CB 4.35Å; W992-D1209 HydrophobicContact CG-CB 4.02Å; W992-D1209 WeakPolarHBondContact CZ2-O 3.45Å; D1209-E1211 PolarHBondContact O-N 3.28Å | ||
| 1210 | D | 88.1 | Confident | 91.5 | Very high | 63 Ų | 63 | 60.9 Ų | 60.9 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | trans | -78.8 | 111.9 | 171.1 | 170.8 | 33 | 0 | 0 | 0 | 111.5 | I1208 T1212 T1213 L1214 | I1208-D1210 HydrophobicContact CG2-CB 4.49Å; D1210-T1212 VanDerWaalsContact C-N 3.29Å; D1210-T1212 PolarHBondContact O-N 3.19Å; D1210-T1212 PolarHBondContact OD1-N 3.31Å; D1210-T1212 PolarHBondContact OD1-OG1 2.77Å; D1210-T1212 PolarHBondContact OD2-OG1 2.78Å; D1210-T1213 PolarHBondContact O-N 3.04Å; D1210-T1213 WeakPolarHBondContact OD2-CB 3.46Å; D1210-T1213 PolarHBondContact OD2-N 2.83Å; D1210-T1213 PolarHBondContact OD2-OG1 3.13Å; D1210-L1214 PolarHBondContact O-N 3.01Å; D1210-L1214 VanDerWaalsContact O-N 3.12Å | ||
| 1211 | E | 86.5 | Confident | 91.6 | Very high | 49 Ų | 49 | 61 Ų | 61 | 23% | 0.229 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.9 | -36.7 | 178.7 | -168.1 | 179.1 | -141.8 | 0 | 0 | 112.4 | R10 W992 D1209 T1213 L1214 D1215 | R10-E1211 WeakPolarHBondContact CD-OE2 3.32Å; R10-E1211 IonicContact CZ-OE2 2.78Å; R10-E1211 IonicContact NE-OE2 3.63Å; R10-E1211 IonicContact NH1-OE2 2.69Å; R10-E1211 PolarHBondContact NH1-OE2 3.44Å; W992-E1211 HydrophobicContact CH2-CB 4.03Å; W992-E1211 HydrophobicContact CH2-CG 4.46Å; W992-E1211 HydrophobicContact CZ3-CB 4.4Å; D1209-E1211 PolarHBondContact O-N 3.28Å; E1211-T1213 PolarHBondContact O-N 2.73Å; E1211-L1214 PolarHBondContact O-N 3.49Å; E1211-D1215 PolarHBondContact O-N 2.81Å |
| 1212 | T | 89.3 | Confident | 91.4 | Very high | 64 Ų | 64 | 61.4 Ų | 61.4 | 39% | 0.393 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | -179.8 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | D1210 L1214 D1215 R1216 | D1210-T1212 VanDerWaalsContact C-N 3.29Å; D1210-T1212 PolarHBondContact O-N 3.19Å; D1210-T1212 PolarHBondContact OD1-N 3.31Å; D1210-T1212 PolarHBondContact OD1-OG1 2.77Å; D1210-T1212 PolarHBondContact OD2-OG1 2.78Å; T1212-L1214 VanDerWaalsContact C-N 3.33Å; T1212-D1215 PolarHBondContact O-N 2.89Å; T1212-R1216 WeakPolarHBondContact O-CB 3.06Å; T1212-R1216 PolarHBondContact O-N 2.82Å |
| 1213 | T | 93.8 | Very high | 91.1 | Very high | 35 Ų | 35 | 65.1 Ų | 65.1 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 173.6 | -70.3 | 0 | 0 | 0 | 0 | 111.1 | I1208 D1210 E1211 R1216 L1217 | I1208-T1213 HydrophobicContact CD1-CG2 4.07Å; I1208-T1213 HydrophobicContact CG2-CG2 3.74Å; D1210-T1213 PolarHBondContact O-N 3.04Å; D1210-T1213 WeakPolarHBondContact OD2-CB 3.46Å; D1210-T1213 PolarHBondContact OD2-N 2.83Å; D1210-T1213 PolarHBondContact OD2-OG1 3.13Å; E1211-T1213 PolarHBondContact O-N 2.73Å; T1213-R1216 PolarHBondContact O-N 2.95Å; T1213-L1217 HydrophobicContact CG2-CD1 4.22Å; T1213-L1217 HydrophobicContact CG2-CG 4.5Å; T1213-L1217 WeakPolarHBondContact O-CG 3.08Å; T1213-L1217 PolarHBondContact O-N 2.82Å |
| 1214 | L | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 177 | -73.2 | 170.9 | 0 | 0 | 0 | 112.3 | W992 A995 C999 C1041 I1208 D1210 E1211 T1212 L1217 S1218 | W992-L1214 HydrophobicContact CE3-CD1 3.43Å; W992-L1214 VanDerWaalsContact CE3-CD1 3.43Å; W992-L1214 HydrophobicContact CZ3-CD1 3.51Å; A995-L1214 HydrophobicContact CB-CD1 3.96Å; A995-L1214 HydrophobicContact CB-CD2 4.43Å; C999-L1214 HydrophobicContact CB-CD2 4.2Å; C1041-L1214 HydrophobicContact CB-CB 4.37Å; I1208-L1214 HydrophobicContact CB-CD2 4.18Å; I1208-L1214 HydrophobicContact CB-CG 4.38Å; I1208-L1214 HydrophobicContact CG2-CD2 4.24Å; I1208-L1214 HydrophobicContact CG2-CG 3.99Å; D1210-L1214 PolarHBondContact O-N 3.01Å; D1210-L1214 VanDerWaalsContact O-N 3.12Å; E1211-L1214 PolarHBondContact O-N 3.49Å; T1212-L1214 VanDerWaalsContact C-N 3.33Å; L1214-L1217 PolarHBondContact O-N 2.73Å; L1214-S1218 WeakPolarHBondContact O-CB 3.29Å; L1214-S1218 PolarHBondContact O-N 3.38Å |
| 1215 | D | 92 | Very high | 89.4 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 23% | 0.225 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 175.3 | -73.9 | -23.7 | 0 | 0 | 0 | 111.6 | C1041 E1211 T1212 S1218 L1219 | C1041-D1215 WeakPolarHBondContact CB-OD1 3.31Å; E1211-D1215 PolarHBondContact O-N 2.81Å; T1212-D1215 PolarHBondContact O-N 2.89Å; D1215-S1218 WeakPolarHBondContact O-CA 3.14Å; D1215-S1218 WeakPolarHBondContact O-CB 3.49Å; D1215-S1218 PolarHBondContact O-N 3.06Å; D1215-L1219 WeakPolarHBondContact O-CG 3.47Å; D1215-L1219 PolarHBondContact O-N 2.75Å |
| 1216 | R | 94.7 | Very high | 87.4 | Confident | 124 Ų | 124 | 65.5 Ų | 65.5 | 47% | 0.468 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.7 | -50 | 175.2 | 180 | 178.4 | 54.8 | 75.9 | -1.4 | 111.7 | T1212 T1213 S1218 L1219 E1220 | T1212-R1216 WeakPolarHBondContact O-CB 3.06Å; T1212-R1216 PolarHBondContact O-N 2.82Å; T1213-R1216 PolarHBondContact O-N 2.95Å; R1216-S1218 PolarHBondContact O-N 3.45Å; R1216-L1219 PolarHBondContact O-N 2.89Å; R1216-L1219 VanDerWaalsContact O-N 3.12Å; R1216-E1220 WeakPolarHBondContact CG-OE1 3.45Å; R1216-E1220 IonicContact CZ-OE1 2.79Å; R1216-E1220 IonicContact NH1-OE1 3.29Å; R1216-E1220 PolarHBondContact NH1-OE1 2.72Å; R1216-E1220 WeakPolarHBondContact O-CG 2.98Å; R1216-E1220 PolarHBondContact O-N 3.38Å |
| 1217 | L | 95.3 | Very high | 85 | Confident | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.6 | -39.1 | 176.1 | -73.7 | 175.4 | 0 | 0 | 0 | 111.3 | C999 K1000 I1208 T1213 L1214 E1220 V1221 | C999-L1217 HydrophobicContact CB-CB 4.01Å; K1000-L1217 HydrophobicContact CG-CD1 4.19Å; I1208-L1217 HydrophobicContact CD1-CD1 3.67Å; T1213-L1217 HydrophobicContact CG2-CD1 4.22Å; T1213-L1217 HydrophobicContact CG2-CG 4.5Å; T1213-L1217 WeakPolarHBondContact O-CG 3.08Å; T1213-L1217 PolarHBondContact O-N 2.82Å; L1214-L1217 PolarHBondContact O-N 2.73Å; L1217-E1220 PolarHBondContact O-N 2.63Å; L1217-V1221 PolarHBondContact O-N 3.21Å |
| 1218 | S | 95.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.5 | -51.4 | 173.5 | -116.8 | 0 | 0 | 0 | 0 | 112.9 | C999 C1041 R1044 L1214 D1215 R1216 E1220 V1221 E1222 | C999-S1218 PolarHBondContact SG-OG 2.94Å; C1041-S1218 WeakPolarHBondContact CA-OG 3.28Å; C1041-S1218 WeakPolarHBondContact CB-OG 3.45Å; C1041-S1218 PolarHBondContact O-OG 2.95Å; R1044-S1218 VanDerWaalsContact CZ-C 3.48Å; R1044-S1218 PolarHBondContact NH1-O 3.12Å; R1044-S1218 PolarHBondContact NH1-OG 3.24Å; R1044-S1218 PolarHBondContact NH2-O 2.82Å; L1214-S1218 WeakPolarHBondContact O-CB 3.29Å; L1214-S1218 PolarHBondContact O-N 3.38Å; D1215-S1218 WeakPolarHBondContact O-CA 3.14Å; D1215-S1218 WeakPolarHBondContact O-CB 3.49Å; D1215-S1218 PolarHBondContact O-N 3.06Å; R1216-S1218 PolarHBondContact O-N 3.45Å; S1218-E1220 VanDerWaalsContact C-N 3.26Å; S1218-E1220 PolarHBondContact O-N 3.16Å; S1218-V1221 WeakPolarHBondContact O-CG2 3.17Å; S1218-V1221 PolarHBondContact O-N 2.88Å; S1218-E1222 PolarHBondContact O-N 3.36Å |
| 1219 | L | 93.3 | Very high | 79.1 | Confident | 77 Ų | 77 | 67.9 Ų | 67.9 | 40% | 0.403 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.9 | -32.8 | 178.4 | -72.3 | 167.3 | 0 | 0 | 0 | 112 | R1044 D1215 R1216 E1222 P1223 M1224 | R1044-L1219 VanDerWaalsContact NH2-CA 3.3Å; R1044-L1219 VanDerWaalsContact NH2-N 3.17Å; D1215-L1219 WeakPolarHBondContact O-CG 3.47Å; D1215-L1219 PolarHBondContact O-N 2.75Å; R1216-L1219 PolarHBondContact O-N 2.89Å; R1216-L1219 VanDerWaalsContact O-N 3.12Å; L1219-E1222 CarbonylContact O-C 3.56Å; L1219-P1223 VanDerWaalsContact O-CA 3.26Å; L1219-P1223 WeakPolarHBondContact O-CA 3.23Å; L1219-P1223 VanDerWaalsContact O-N 3.12Å; L1219-M1224 HydrophobicContact CD2-SD 3.71Å |
| 1220 | E | 94 | Very high | 76.2 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.1 | -33.7 | 175 | -68.5 | 169.2 | -164.9 | 0 | 0 | 112.9 | R1002 R1216 L1217 S1218 | R1002-E1220 IonicContact CZ-OE2 3.78Å; R1002-E1220 VanDerWaalsContact CZ-OE2 3.31Å; R1002-E1220 IonicContact NH1-OE2 3.66Å; R1002-E1220 PolarHBondContact NH1-OE2 2.83Å; R1002-E1220 IonicContact NH2-OE2 3.79Å; R1002-E1220 PolarHBondContact NH2-OE2 2.91Å; R1216-E1220 WeakPolarHBondContact CG-OE1 3.45Å; R1216-E1220 IonicContact CZ-OE1 2.79Å; R1216-E1220 IonicContact NH1-OE1 3.29Å; R1216-E1220 PolarHBondContact NH1-OE1 2.72Å; R1216-E1220 WeakPolarHBondContact O-CG 2.98Å; R1216-E1220 PolarHBondContact O-N 3.38Å; L1217-E1220 PolarHBondContact O-N 2.63Å; S1218-E1220 VanDerWaalsContact C-N 3.26Å; S1218-E1220 PolarHBondContact O-N 3.16Å |
| 1221 | V | 93.5 | Very high | 73.4 | Confident | 20 Ų | 20 | 70.2 Ų | 70.2 | 12% | 0.121 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -83.1 | -24.4 | 177.6 | -63.2 | 0 | 0 | 0 | 0 | 113.7 | C999 L1045 L1217 S1218 | C999-V1221 WeakPolarHBondContact O-CG1 3.27Å; L1045-V1221 HydrophobicContact CD2-CG2 3.73Å; L1217-V1221 PolarHBondContact O-N 3.21Å; S1218-V1221 WeakPolarHBondContact O-CG2 3.17Å; S1218-V1221 PolarHBondContact O-N 2.88Å |
| 1222 | E | 91.4 | Very high | 70.6 | Confident | 20 Ų | 20 | 72 Ų | 72 | 9% | 0.093 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -152.2 | 89.5 | 178.5 | -161.4 | 166.8 | 159.5 | 0 | 0 | 109.4 | R1044 L1045 H1046 N1047 T1048 S1218 L1219 | R1044-E1222 PolarHBondContact NH2-O 2.67Å; L1045-E1222 VanDerWaalsContact CA-OE2 3.29Å; L1045-E1222 WeakPolarHBondContact CA-OE2 3.47Å; L1045-E1222 HydrophobicContact CD2-CB 3.54Å; L1045-E1222 HydrophobicContact CD2-CG 4.42Å; H1046-E1222 PolarHBondContact N-OE1 3.2Å; N1047-E1222 VanDerWaalsContact CB-OE1 3.23Å; N1047-E1222 WeakPolarHBondContact CB-OE1 3.41Å; N1047-E1222 VanDerWaalsContact CG-OE1 3.25Å; N1047-E1222 PolarHBondContact N-OE1 2.87Å; N1047-E1222 PolarHBondContact ND2-OE1 2.95Å; T1048-E1222 PolarHBondContact OG1-OE2 2.65Å; S1218-E1222 PolarHBondContact O-N 3.36Å; L1219-E1222 CarbonylContact O-C 3.56Å |
| 1223 | P | 86.2 | Confident | 67.7 | Low | 99 Ų | 99 | 79.5 Ų | 79.5 | 64% | 0.643 | 50% | 0.498 | S | S | * | . | trans | -65.7 | 147.4 | 179.6 | 26.1 | -33.2 | 0 | 0 | 0 | 110.3 | L1219 A1225 | L1219-P1223 VanDerWaalsContact O-CA 3.26Å; L1219-P1223 WeakPolarHBondContact O-CA 3.23Å; L1219-P1223 VanDerWaalsContact O-N 3.12Å; P1223-A1225 PolarHBondContact O-N 3.49Å | ||
| 1224 | M | 73.1 | Confident | 64.7 | Low | 129 Ų | 129 | 81.6 Ų | 81.6 | 64% | 0.635 | 53% | 0.527 | S | S | * | . | trans | -57.2 | 133.9 | 170.5 | -99.7 | 118.6 | 73.8 | 0 | 0 | 109 | L1219 S1226 | L1219-M1224 HydrophobicContact CD2-SD 3.71Å; M1224-S1226 VanDerWaalsContact C-N 3.28Å; M1224-S1226 PolarHBondContact O-N 3.14Å | ||
| 1225 | A | 63.3 | Low | 61.6 | Low | 102 Ų | 102 | 85 Ų | 85 | 84% | 0.843 | 56% | 0.562 | S | S | * | * | trans | -60.7 | 94.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | P1223 G1227 | P1223-A1225 PolarHBondContact O-N 3.49Å; A1225-G1227 PolarHBondContact O-N 2.8Å; A1225-G1227 VanDerWaalsContact O-N 3.07Å | ||
| 1226 | S | 45.1 | Very low | 58.4 | Low | 109 Ų | 109 | 90.6 Ų | 90.6 | 76% | 0.762 | 59% | 0.592 | S | S | * | * | trans | -62.2 | 111.3 | 162.8 | 54.1 | 0 | 0 | 0 | 0 | 106 | M1224 A1228 | M1224-S1226 VanDerWaalsContact C-N 3.28Å; M1224-S1226 PolarHBondContact O-N 3.14Å; S1226-A1228 PolarHBondContact O-N 3.22Å | ||
| 1227 | G | 39.3 | Very low | 55.4 | Low | 61 Ų | 61 | 93 Ų | 93 | 63% | 0.629 | 61% | 0.613 | S | S | * | * | trans | -44 | 127.9 | 165 | 0 | 0 | 0 | 0 | 0 | 108.7 | A1225 S1229 | A1225-G1227 PolarHBondContact O-N 2.8Å; A1225-G1227 VanDerWaalsContact O-N 3.07Å; G1227-S1229 VanDerWaalsContact C-N 3.31Å; G1227-S1229 PolarHBondContact O-N 2.93Å | ||
| 1228 | A | 33.5 | Very low | 52.2 | Low | 111 Ų | 111 | 96.6 Ų | 96.6 | 92% | 0.917 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -57.2 | 95.2 | 173 | 0 | 0 | 0 | 0 | 0 | 109.1 | S1226 | S1226-A1228 PolarHBondContact O-N 3.22Š|
| 1229 | S | 30.7 | Very low | 49.2 | Very low | 100 Ų | 100 | 102.5 Ų | 102.5 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | trans | -158.1 | 125.9 | 164 | 49.7 | 0 | 0 | 0 | 0 | 108.8 | G1227 | G1227-S1229 VanDerWaalsContact C-N 3.31Å; G1227-S1229 PolarHBondContact O-N 2.93Å | ||
| 1230 | S | 28.6 | Very low | 46.3 | Very low | 115 Ų | 115 | 107 Ų | 107 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | 89.5 | 53.5 | 169.2 | -49 | 0 | 0 | 0 | 0 | 117 | S1232 | S1230-S1232 VanDerWaalsContact C-N 3.33Å; S1230-S1232 PolarHBondContact O-N 3.04Å | ||
| 1231 | A | 30.1 | Very low | 43.1 | Very low | 111 Ų | 111 | 107.4 Ų | 107.4 | 92% | 0.917 | 72% | 0.721 | S | S | * | * | trans | -80.3 | 83.2 | 144.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1232 | S | 27.9 | Very low | 40.2 | Very low | 87 Ų | 87 | 116.4 Ų | 116.4 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | trans | -170 | 103 | 159.8 | 57.8 | 0 | 0 | 0 | 0 | 109.2 | S1230 | S1230-S1232 VanDerWaalsContact C-N 3.33Å; S1230-S1232 PolarHBondContact O-N 3.04Å | ||
| 1233 | F | 28.6 | Very low | 37 | Very low | 221 Ų | 221 | 126.8 Ų | 126.8 | 97% | 0.969 | 80% | 0.797 | S | S | * | * | trans | 170.5 | 122.7 | 141.8 | -96.9 | -71 | 0 | 0 | 0 | 108.6 | ||||
| 1234 | G | 30.5 | Very low | 34.3 | Very low | 79 Ų | 79 | 127 Ų | 127 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 128.2 | 85.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1235 | G | 27.2 | Very low | 32.3 | Very low | 72 Ų | 72 | 129.9 Ų | 129.9 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | cis | 96.2 | 93.9 | 45.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1236 | N | 24.4 | Very low | 30.6 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | 32.7 | 123.7 | 151.1 | -63.1 | -11.7 | 0 | 0 | 0 | 119 | ||||
| 1237 | L | 31.9 | Very low | 29.6 | Very low | 174 Ų | 174 | 129.7 Ų | 129.7 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | -173.7 | 113.8 | 123.6 | -96 | 152.7 | 0 | 0 | 0 | 112 | |||||
| 1238 | A | 28.9 | Very low | 29.1 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | 66.8 | 137.8 | 145.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1239 | P | 31.9 | Very low | 28.9 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -102.2 | 146.6 | -169 | 38.2 | -27.4 | 0 | 0 | 0 | 112.3 | ||||
| 1240 | N | 31.5 | Very low | 28.7 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -112.8 | 108.7 | 160.8 | -140.9 | -1.9 | 0 | 0 | 0 | 110.2 | ||||
| 1241 | S | 28.2 | Very low | 28.5 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | trans | -66.5 | 118.8 | 177.7 | 176.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1242 | K | 32.3 | Very low | 28.2 | Very low | 209 Ų | 209 | 136.7 Ų | 136.7 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -136.8 | 89.2 | 148.3 | -75.8 | -166.2 | -179.9 | 176.2 | 0 | 110.1 | ||||
| 1243 | R | 24.8 | Very low | 28.4 | Very low | 239 Ų | 239 | 136.3 Ų | 136.3 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -55.3 | 121.5 | 164.1 | -180 | -178.6 | -172.1 | 171.6 | 1.8 | 111.2 | ||||
| 1244 | S | 28.9 | Very low | 28.1 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -161.3 | 107.5 | 152.1 | 178.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1245 | Q | 30.8 | Very low | 28.1 | Very low | 189 Ų | 189 | 133 Ų | 133 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | 70.2 | 130.6 | 145.8 | -57.5 | -151.7 | 2.1 | 0 | 0 | 121.6 | ||||
| 1246 | A | 27.3 | Very low | 28 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -90.9 | 161 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1247 | S | 24.6 | Very low | 28 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -44.8 | 157.8 | 170.8 | -41.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1248 | P | 29.8 | Very low | 27.8 | Very low | 106 Ų | 106 | 133 Ų | 133 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | -138.9 | 141.3 | 103.9 | 33.1 | -18.2 | 0 | 0 | 0 | 114 | |||||
| 1249 | S | 27.5 | Very low | 27.5 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -62.4 | 130.5 | 166.3 | 14.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1250 | F | 28.4 | Very low | 27.2 | Very low | 203 Ų | 203 | 132.5 Ų | 132.5 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -104.2 | 112.7 | 163.5 | -87.1 | -83.2 | 0 | 0 | 0 | 109.6 | ||||
| 1251 | S | 24 | Very low | 26.9 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | -85.4 | 160.7 | 164.8 | -47 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1252 | S | 24.1 | Very low | 26.8 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | 92 | 107.4 | 157.3 | -49.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1253 | G | 30.4 | Very low | 26.4 | Very low | 78 Ų | 78 | 133.9 Ų | 133.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -163.4 | 81.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1254 | S | 22.7 | Very low | 26.4 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -73.4 | 136.5 | 174.9 | 44.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1255 | S | 30.1 | Very low | 26.4 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -168.1 | 99.5 | 156 | 8.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1256 | V | 26.8 | Very low | 26.1 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | 71.9 | 99.7 | 91.9 | 178.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1257 | S | 22.8 | Very low | 26 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | 41.4 | 116.9 | 143.3 | 63.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1258 | I | 28.4 | Very low | 26.2 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | -141.2 | 145.9 | 128.1 | -88.2 | 150.2 | 0 | 0 | 0 | 108 | |||||
| 1259 | S | 23 | Very low | 26 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | trans | -74.4 | 158.9 | -165.7 | 46.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1260 | S | 24.3 | Very low | 26.3 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | 61.6 | 132.7 | 146 | 59.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1261 | A | 27 | Very low | 26.2 | Very low | 86 Ų | 86 | 136.9 Ų | 136.9 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | cis | -162 | 152.9 | 7.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1262 | E | 24.8 | Very low | 26.3 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | 62.9 | 93.8 | 145.4 | -69.7 | 178.3 | 162.6 | 0 | 0 | 121.7 | ||||
| 1263 | Y | 23.1 | Very low | 26.4 | Very low | 238 Ų | 238 | 139.4 Ų | 139.4 | 93% | 0.933 | 81% | 0.812 | S | S | * | * | 18.1 | 112 | 124 | -80.5 | -90.6 | 0 | 0 | 0 | 119.5 | |||||
| 1264 | G | 25.2 | Very low | 26.3 | Very low | 70 Ų | 70 | 144.9 Ų | 144.9 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | 106.6 | 107.7 | 117.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1265 | R | 29.2 | Very low | 26.9 | Very low | 254 Ų | 254 | 148 Ų | 148 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | -171.3 | 152.3 | 116.4 | -101.6 | -177.6 | -150.1 | -104.1 | 4.7 | 111.6 | |||||
| 1266 | R | 25.8 | Very low | 26.9 | Very low | 235 Ų | 235 | 147.5 Ų | 147.5 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -72.5 | 145.9 | -167.9 | -67.6 | 171.8 | 177.1 | 169.2 | -2.4 | 113.8 | ||||
| 1267 | C | 24.1 | Very low | 27.1 | Very low | 112 Ų | 112 | 146 Ų | 146 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | trans | 35.6 | 143 | 131.9 | -53.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1268 | T | 28.6 | Very low | 27.7 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | 82.5 | 108.3 | 158.4 | 64.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1269 | G | 26.4 | Very low | 27.9 | Very low | 72 Ų | 72 | 144.2 Ų | 144.2 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 152.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1270 | P | 32.3 | Very low | 28.3 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 135.2 | 169.2 | 12 | 5.3 | 0 | 0 | 0 | 110.6 | ||
| 1271 | K | 27.8 | Very low | 28.7 | Very low | 204 Ų | 204 | 146.3 Ų | 146.3 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 127.4 | 165.8 | -77.9 | 176.7 | 172.7 | 176.8 | 0 | 109.7 | ||
| 1272 | F | 24.4 | Very low | 28.8 | Very low | 214 Ų | 214 | 150.2 Ų | 150.2 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | S | Bend | 48.3 | 116.9 | 129.7 | -143.4 | -98.6 | 0 | 0 | 0 | 119.1 | |||
| 1273 | G | 27.1 | Very low | 29 | Very low | 68 Ų | 68 | 148.7 Ų | 148.7 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 121.4 | 76.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1274 | M | 27.8 | Very low | 29.4 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 95% | 0.951 | 78% | 0.782 | S | S | * | * | trans | -136.4 | 104.7 | 157.4 | -77.9 | -171.5 | 74.1 | 0 | 0 | 109.3 | ||||
| 1275 | E | 35.8 | Very low | 29.5 | Very low | 183 Ų | 183 | 145.2 Ų | 145.2 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -67 | 142.3 | 171.3 | -65.3 | 170.7 | 149.5 | 0 | 0 | 110.2 | P1277 | E1275-P1277 WeakPolarHBondContact O-CD 3.28Š| ||
| 1276 | S | 30.1 | Very low | 29.4 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -100.2 | 106.2 | 169.7 | -173.8 | 0 | 0 | 0 | 0 | 109 | Q1278 | S1276-Q1278 PolarHBondContact O-N 3.32Å; S1276-Q1278 VanDerWaalsContact O-N 3.08Å | ||
| 1277 | P | 31.8 | Very low | 29.5 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 9.2 | -167 | -17.9 | 33.2 | 0 | 0 | 0 | 116.4 | E1275 | E1275-P1277 WeakPolarHBondContact O-CD 3.28Š|
| 1278 | Q | 35.3 | Very low | 29.6 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -7.4 | -174.7 | -71.7 | -171.6 | 0.2 | 0 | 0 | 115 | S1276 | S1276-Q1278 PolarHBondContact O-N 3.32Å; S1276-Q1278 VanDerWaalsContact O-N 3.08Å |
| 1279 | A | 31.4 | Very low | 29.5 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -83.4 | -25.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1280 | V | 32.5 | Very low | 29.6 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 58% | 0.576 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -77.3 | -28.9 | -177.7 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | K1282 L1283 L1284 | V1280-K1282 VanDerWaalsContact C-N 3.28Å; V1280-K1282 PolarHBondContact O-N 3.07Å; V1280-L1283 PolarHBondContact O-N 3.41Å; V1280-L1284 HydrophobicContact CG1-CD1 3.68Å; V1280-L1284 WeakPolarHBondContact O-CD1 3.4Å |
| 1281 | Q | 32.2 | Very low | 29.1 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -76 | -12.2 | -175.2 | -141.9 | 171.6 | 15.2 | 0 | 0 | 114.4 | ||
| 1282 | K | 29.9 | Very low | 29 | Very low | 168 Ų | 168 | 143 Ų | 143 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -87.6 | -16 | 175.7 | -82.1 | -176.5 | 175.8 | 176.5 | 0 | 114.1 | V1280 | V1280-K1282 VanDerWaalsContact C-N 3.28Å; V1280-K1282 PolarHBondContact O-N 3.07Å |
| 1283 | L | 27.3 | Very low | 28.9 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -18.9 | -176.7 | -101.6 | 149 | 0 | 0 | 0 | 113.3 | V1280 | V1280-L1283 PolarHBondContact O-N 3.41Š|
| 1284 | L | 31.5 | Very low | 28.7 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 0.7 | 177.7 | -85.3 | 118.3 | 0 | 0 | 0 | 115.1 | V1280 | V1280-L1284 HydrophobicContact CG1-CD1 3.68Å; V1280-L1284 WeakPolarHBondContact O-CD1 3.4Å |
| 1285 | S | 28.7 | Very low | 28.6 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 6.5 | -178.2 | 64.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1286 | L | 26.7 | Very low | 28.4 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -123.8 | 78.9 | 171.9 | -78.5 | 103 | 0 | 0 | 0 | 109.8 | ||
| 1287 | V | 28.2 | Very low | 28.2 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -172.5 | 86.8 | 135.3 | 178.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1288 | D | 24.9 | Very low | 27.8 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -106 | 130.8 | 165.9 | -107.5 | -20.8 | 0 | 0 | 0 | 109.7 | ||||
| 1289 | H | 28 | Very low | 27.4 | Very low | 170 Ų | 170 | 148 Ų | 148 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | trans | 37.1 | 115.3 | 150.5 | -53.9 | -53.5 | 0 | 0 | 0 | 120.9 | ||||
| 1290 | S | 27.1 | Very low | 26.9 | Very low | 123 Ų | 123 | 152.7 Ų | 152.7 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -155.8 | 130.8 | 132.5 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1291 | R | 22.5 | Very low | 26.4 | Very low | 247 Ų | 247 | 153.8 Ų | 153.8 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | -93.1 | 134.8 | 175.3 | -65.4 | 168.8 | 169.4 | 171.1 | -4.1 | 109.5 | ||||
| 1292 | V | 25.7 | Very low | 26 | Very low | 136 Ų | 136 | 151.4 Ų | 151.4 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -155.1 | 103.1 | 161.5 | -173.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 1293 | R | 22.7 | Very low | 25.6 | Very low | 238 Ų | 238 | 148.3 Ų | 148.3 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | 78 | 132.4 | 81.3 | -159.6 | 170.8 | -169.8 | 179.3 | 3.8 | 114.9 | |||||
| 1294 | P | 23.3 | Very low | 25.7 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 171.4 | -153 | 38.8 | -35 | 0 | 0 | 0 | 117.3 | ||
| 1295 | L | 25.2 | Very low | 25.4 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 142.8 | -176.6 | -71.9 | 130.7 | 0 | 0 | 0 | 116.6 | ||
| 1296 | P | 31.2 | Very low | 25.5 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 155.5 | 169.2 | 35.3 | -29.5 | 0 | 0 | 0 | 113.6 | ||
| 1297 | P | 26.3 | Very low | 25.3 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 79% | 0.792 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 166.2 | -169.8 | 37.8 | -33.9 | 0 | 0 | 0 | 115.4 | ||
| 1298 | S | 24 | Very low | 25.4 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 80% | 0.797 | 83% | 0.834 | S | S | * | * | trans | -37.7 | 141.6 | -178.5 | 51 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1299 | R | 26 | Very low | 25.5 | Very low | 252 Ų | 252 | 141.5 Ų | 141.5 | 95% | 0.951 | 84% | 0.836 | S | S | * | * | trans | -121.5 | 126.1 | 157.5 | -91.9 | -175.8 | 171.7 | -178.8 | -2.2 | 110.2 | ||||
| 1300 | M | 20.1 | Very low | 25.6 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 85% | 0.852 | 84% | 0.836 | S | S | * | * | trans | -89.7 | 161.5 | 168.9 | -56 | -149.4 | 82.4 | 0 | 0 | 110.6 | ||||
| 1301 | C | 22.6 | Very low | 25.7 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | 141.4 | 106 | 143.4 | -78.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1302 | S | 23.9 | Very low | 25.9 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | 61.4 | 111.1 | 124.3 | 57.4 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1303 | A | 22 | Very low | 25.9 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | 53.5 | 120.6 | 116.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1304 | A | 29.2 | Very low | 26.4 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | trans | -163.1 | 136.5 | 135.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1305 | A | 25.1 | Very low | 27 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -85.1 | 157.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1306 | G | 30 | Very low | 27 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -162.8 | 115.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1307 | V | 24.3 | Very low | 27.1 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | trans | -106.7 | 134.7 | -175 | 173.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1308 | S | 28.4 | Very low | 27.3 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -169.7 | 141.6 | 153.9 | 43.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1309 | S | 27.1 | Very low | 27.4 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | trans | -91.5 | 175.1 | -157.9 | -40.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1310 | P | 31.4 | Very low | 27.4 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | trans | -106.2 | 165.9 | -176.1 | 39.7 | -30.6 | 0 | 0 | 0 | 114.9 | ||||
| 1311 | P | 29.1 | Very low | 27.9 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -143.3 | 135.2 | 150.3 | 33.6 | -14.6 | 0 | 0 | 0 | 116.9 | ||||
| 1312 | V | 26.8 | Very low | 28 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | 66.5 | 121.1 | 128.7 | -172.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1313 | S | 25.3 | Very low | 28 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -91.4 | 155 | 163.1 | -43.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1314 | P | 34 | Very low | 28 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | trans | -141.6 | 174.4 | 142.3 | 28.6 | -7.2 | 0 | 0 | 0 | 114.8 | ||||
| 1315 | P | 34.7 | Very low | 27.8 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | trans | -116.7 | 173.3 | -145.2 | 41.9 | -32.9 | 0 | 0 | 0 | 117.8 | ||||
| 1316 | C | 26 | Very low | 27.7 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -65.2 | 153.1 | 172.8 | -75.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1317 | P | 33.7 | Very low | 27.5 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -142.6 | 171.5 | 132.2 | 34.7 | -16.8 | 0 | 0 | 0 | 115 | ||||
| 1318 | P | 30.2 | Very low | 27.4 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -109 | 160.2 | -160.1 | 39 | -30.3 | 0 | 0 | 0 | 115.5 | ||||
| 1319 | R | 25.6 | Very low | 27.3 | Very low | 257 Ų | 257 | 141.4 Ų | 141.4 | 97% | 0.97 | 81% | 0.812 | S | S | * | * | trans | -157.1 | 154.4 | 156.6 | -114.4 | 177.4 | -169.6 | -148.2 | 3.2 | 114.5 | ||||
| 1320 | R | 25.9 | Very low | 27 | Very low | 243 Ų | 243 | 141.4 Ų | 141.4 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -81.6 | 175.5 | -160.9 | -91.9 | -176.7 | -174 | -172.1 | 2 | 116.1 | ||||
| 1321 | P | 30.5 | Very low | 26.6 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | trans | -99.5 | 164.5 | -152.3 | 39.1 | -34 | 0 | 0 | 0 | 115.2 | ||||
| 1322 | N | 24.4 | Very low | 26.2 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | -157.3 | 136.6 | 164.1 | -121.6 | -7.4 | 0 | 0 | 0 | 113.6 | ||||
| 1323 | K | 24.8 | Very low | 26 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | 73.8 | 103.8 | 149.4 | -61.9 | -177.3 | -179.5 | -176.3 | 0 | 121.3 | ||||
| 1324 | L | 20.9 | Very low | 25.9 | Very low | 166 Ų | 166 | 147 Ų | 147 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | 29.5 | 112.2 | 119.2 | -74.7 | 140.8 | 0 | 0 | 0 | 117.6 | |||||
| 1325 | N | 25.9 | Very low | 25.3 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | trans | -147.5 | 125.8 | 137.5 | -112.3 | -7.1 | 0 | 0 | 0 | 110.5 | ||||
| 1326 | S | 21.9 | Very low | 24.7 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -72.9 | 124.7 | 175.9 | 54 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1327 | V | 26.2 | Very low | 24.6 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 76% | 0.764 | 83% | 0.825 | S | S | * | * | trans | -133.1 | 104.6 | 155.1 | -177 | 0 | 0 | 0 | 0 | 106.9 | I1329 | V1327-I1329 HydrophobicContact CG1-CD1 4.42Å; V1327-I1329 HydrophobicContact CG1-CG1 4.05Å | ||
| 1328 | A | 22.7 | Very low | 24.1 | Very low | 102 Ų | 102 | 152.4 Ų | 152.4 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -71.4 | 122.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1329 | I | 25.4 | Very low | 23.7 | Very low | 157 Ų | 157 | 151.5 Ų | 151.5 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | trans | -119.4 | 117.7 | 163.1 | -61.1 | -177.7 | 0 | 0 | 0 | 106.7 | V1327 | V1327-I1329 HydrophobicContact CG1-CD1 4.42Å; V1327-I1329 HydrophobicContact CG1-CG1 4.05Å | ||
| 1330 | S | 22.5 | Very low | 23.6 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -68.3 | 138.4 | -167.7 | -163.7 | 0 | 0 | 0 | 0 | 112.3 | C1332 | S1330-C1332 PolarHBondContact O-N 2.82Š| ||
| 1331 | V | 21.5 | Very low | 23.5 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -59.5 | 114.9 | 165.4 | 174.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1332 | C | 22.1 | Very low | 23.1 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -93.3 | 111.2 | 168.8 | -139.4 | 0 | 0 | 0 | 0 | 108.4 | S1330 M1334 | S1330-C1332 PolarHBondContact O-N 2.82Å; C1332-M1334 PolarHBondContact O-N 3.23Å | ||
| 1333 | Q | 22.9 | Very low | 22.9 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 78% | 0.78 | 82% | 0.82 | S | S | * | * | trans | -64.1 | 119.4 | 169.5 | -75.9 | 169.5 | -33 | 0 | 0 | 109.6 | ||||
| 1334 | M | 22 | Very low | 22.8 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | trans | -102.6 | 94 | 161.6 | -70.6 | -69.1 | -89.3 | 0 | 0 | 108 | C1332 | C1332-M1334 PolarHBondContact O-N 3.23Š| ||
| 1335 | R | 21.9 | Very low | 22.9 | Very low | 234 Ų | 234 | 143.2 Ų | 143.2 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -91.4 | 131.4 | 168.5 | -110.5 | -176 | -179.5 | -162.3 | 0.9 | 108.7 | ||||
| 1336 | G | 21.5 | Very low | 22.9 | Very low | 80 Ų | 80 | 141.5 Ų | 141.5 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 66.7 | 95.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1337 | A | 24.5 | Very low | 23 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | -118.2 | 122.6 | 148.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1338 | Q | 23.7 | Very low | 23 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -74.8 | 142.5 | -173.5 | -64.7 | 169.7 | -14 | 0 | 0 | 111.8 | ||||
| 1339 | S | 21.5 | Very low | 23.1 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | 35.7 | 104.1 | 134 | -156.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1340 | K | 23.8 | Very low | 23.1 | Very low | 207 Ų | 207 | 145.1 Ų | 145.1 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | trans | -146 | 71.8 | 145.7 | -73.4 | -166.6 | -179.2 | 177 | 0 | 109.4 | ||||
| 1341 | T | 23 | Very low | 23.2 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 82% | 0.816 | 83% | 0.827 | S | S | * | * | trans | -92.8 | 104.6 | 163.9 | 45.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1342 | C | 21.5 | Very low | 23.5 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | -60.9 | 132.3 | 170.4 | -74.4 | 0 | 0 | 0 | 0 | 110.4 | L1344 | C1342-L1344 PolarHBondContact O-N 2.94Š| ||
| 1343 | S | 20.6 | Very low | 23.6 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | trans | -56.5 | 121 | 166.2 | 52.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1344 | L | 23.7 | Very low | 23.6 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -123.4 | 111.9 | 146.9 | -110.6 | 99.7 | 0 | 0 | 0 | 108.3 | C1342 | C1342-L1344 PolarHBondContact O-N 2.94Š| ||
| 1345 | Q | 22.6 | Very low | 23.7 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | trans | -69.8 | 123.2 | 175.9 | -64.4 | 168.6 | -57.6 | 0 | 0 | 108.5 | ||||
| 1346 | V | 24.8 | Very low | 24 | Very low | 129 Ų | 129 | 142 Ų | 142 | 78% | 0.782 | 82% | 0.824 | S | S | * | * | trans | -117.9 | 105.7 | 157.2 | 178.7 | 0 | 0 | 0 | 0 | 105.8 | N1348 | V1346-N1348 PolarHBondContact O-N 2.8Š| ||
| 1347 | A | 24 | Very low | 24 | Very low | 85 Ų | 85 | 143.8 Ų | 143.8 | 70% | 0.702 | 82% | 0.824 | S | S | * | * | trans | -65.7 | 122.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1348 | N | 27.4 | Very low | 24.1 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | -121.9 | 99.8 | 159.7 | -98.9 | 3.8 | 0 | 0 | 0 | 107 | V1346 M1350 | V1346-N1348 PolarHBondContact O-N 2.8Å; N1348-M1350 PolarHBondContact O-N 2.83Å | ||
| 1349 | D | 24.3 | Very low | 24.2 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -65 | 113.5 | 163.6 | -71.9 | -42.8 | 0 | 0 | 0 | 108.6 | ||||
| 1350 | M | 26.3 | Very low | 24.5 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 84% | 0.837 | 82% | 0.823 | S | S | * | * | trans | -133 | 95.5 | 158.5 | -164.1 | 70 | 174.9 | 0 | 0 | 108.1 | N1348 S1352 | N1348-M1350 PolarHBondContact O-N 2.83Å; M1350-S1352 PolarHBondContact O-N 3.41Å; M1350-S1352 VanDerWaalsContact O-N 3.17Å | ||
| 1351 | A | 24.5 | Very low | 24.4 | Very low | 103 Ų | 103 | 139 Ų | 139 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -62.6 | 108.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1352 | S | 26.1 | Very low | 24.5 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | -106.9 | 108.8 | 163.2 | -72.9 | 0 | 0 | 0 | 0 | 108.5 | M1350 R1354 | M1350-S1352 PolarHBondContact O-N 3.41Å; M1350-S1352 VanDerWaalsContact O-N 3.17Å; S1352-R1354 PolarHBondContact O-N 3.48Å | ||
| 1353 | A | 25 | Very low | 24.7 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -72.6 | 120.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1354 | R | 23 | Very low | 24.8 | Very low | 222 Ų | 222 | 137.1 Ų | 137.1 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -38.9 | 140.5 | 161.4 | -95 | 169.7 | 166.5 | 169.4 | -3.5 | 113.7 | S1352 | S1352-R1354 PolarHBondContact O-N 3.48Š| ||
| 1355 | M | 24.6 | Very low | 25.2 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -140.8 | 99.1 | 138.7 | -80.9 | -60.2 | 157.4 | 0 | 0 | 111.6 | ||||
| 1356 | H | 26.8 | Very low | 25.3 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | 40.1 | 105.6 | 141.1 | -68.5 | -97.4 | 0 | 0 | 0 | 121.9 | ||||
| 1357 | S | 23 | Very low | 25.5 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -88.6 | 140 | 149.4 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1358 | S | 26.3 | Very low | 25.5 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -144.1 | 102.8 | 164.6 | 51.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1359 | V | 25.7 | Very low | 25.6 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -127.8 | 115.8 | 164.2 | 174.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1360 | S | 26.7 | Very low | 25.6 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -85.1 | 126 | -176.1 | -55.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1361 | T | 23.2 | Very low | 25.5 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -120.5 | 112.8 | 171.5 | 47.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1362 | A | 25 | Very low | 25.7 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -169.7 | 142 | 164.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1363 | S | 25.9 | Very low | 25.6 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | cis | -170.7 | 140.8 | 11.1 | 39.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1364 | S | 23 | Very low | 25.5 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -6.4 | 133 | 153.8 | -43 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1365 | T | 30.7 | Very low | 25.9 | Very low | 142 Ų | 142 | 135 Ų | 135 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -149.7 | 118.5 | 133.5 | 43.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1366 | D | 24.9 | Very low | 25.9 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -67.4 | 143.4 | 169.5 | -77.5 | -53.7 | 0 | 0 | 0 | 111.8 | ||||
| 1367 | S | 30.1 | Very low | 25.8 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -144.4 | 113.7 | 151.8 | 20.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1368 | V | 23.9 | Very low | 26 | Very low | 128 Ų | 128 | 135 Ų | 135 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -71 | 136 | 171.7 | 172.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1369 | I | 29.2 | Very low | 25.9 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -155.2 | 138.6 | 138 | -93.4 | 146 | 0 | 0 | 0 | 109.2 | ||||
| 1370 | S | 24.4 | Very low | 25.8 | Very low | 80 Ų | 80 | 140.6 Ų | 140.6 | 56% | 0.559 | 81% | 0.81 | S | S | * | * | trans | -84 | 151.9 | -163.6 | 39.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1371 | Q | 24 | Very low | 25.6 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | 60.4 | 110.4 | 135 | -66.2 | 174.3 | -1.3 | 0 | 0 | 118.6 | ||||
| 1372 | Q | 28.2 | Very low | 25.9 | Very low | 204 Ų | 204 | 143 Ų | 143 | 95% | 0.953 | 81% | 0.807 | S | S | * | * | -145.7 | 132.7 | 128.4 | -113.8 | 173.2 | 7.1 | 0 | 0 | 110.5 | |||||
| 1373 | S | 23.4 | Very low | 25.9 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -104.5 | 155.2 | -165.1 | 49 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1374 | S | 24.4 | Very low | 26.1 | Very low | 103 Ų | 103 | 147 Ų | 147 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | 72.1 | 112.5 | 148.6 | -55.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1375 | D | 30.7 | Very low | 26.2 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | -155.7 | 118.1 | 117.7 | -96.9 | -27 | 0 | 0 | 0 | 110.6 | |||||
| 1376 | Q | 23.7 | Very low | 26.1 | Very low | 184 Ų | 184 | 146.8 Ų | 146.8 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -100.4 | 127.3 | 167.8 | -72.2 | -178.5 | 6.3 | 0 | 0 | 107.5 | ||||
| 1377 | L | 26.2 | Very low | 26.1 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -155.7 | 121.3 | 154.5 | -107.6 | 150.2 | 0 | 0 | 0 | 109.8 | ||||
| 1378 | P | 26.1 | Very low | 26.1 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -100.6 | 178.9 | 179.2 | 37.4 | -30.3 | 0 | 0 | 0 | 112.2 | ||||
| 1379 | T | 23.8 | Very low | 26.1 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | 101.2 | 105.5 | 167.6 | 75.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1380 | R | 25.2 | Very low | 26.1 | Very low | 239 Ų | 239 | 142.1 Ų | 142.1 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | 171.8 | 125.3 | 99.5 | -108.7 | 179.5 | 157.2 | 135 | -6.5 | 111.5 | |||||
| 1381 | N | 22.5 | Very low | 26.1 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -65.4 | 131.1 | 164.9 | -73.5 | -38.5 | 0 | 0 | 0 | 111.3 | ||||
| 1382 | I | 28.7 | Very low | 26.3 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -146.3 | 120.7 | 145.2 | -56.8 | -177 | 0 | 0 | 0 | 108.2 | ||||
| 1383 | P | 25.1 | Very low | 26.2 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -95.3 | 129.2 | 174.1 | 34.4 | -25.8 | 0 | 0 | 0 | 110.5 | ||||
| 1384 | H | 29.7 | Very low | 26.3 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -132.1 | 120.2 | 161.4 | -95.3 | -72.8 | 0 | 0 | 0 | 109.9 | ||||
| 1385 | A | 24.7 | Very low | 26.4 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -65.1 | 126.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1386 | I | 29.6 | Very low | 26.2 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -134.7 | 120.5 | 153.6 | -62.3 | -177.1 | 0 | 0 | 0 | 107.1 | ||||
| 1387 | S | 23.8 | Very low | 26.3 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -71 | 124.3 | 173.7 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1388 | C | 30.2 | Very low | 26.3 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | trans | -129.5 | 103.2 | 166.1 | -53.8 | 0 | 0 | 0 | 0 | 107.4 | S1390 | C1388-S1390 PolarHBondContact O-N 2.95Š| ||
| 1389 | D | 23.8 | Very low | 26.2 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -63.9 | 118.5 | 166.5 | -76.2 | -45.4 | 0 | 0 | 0 | 109.3 | ||||
| 1390 | S | 29.2 | Very low | 26.2 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -129 | 96.1 | 161.4 | -70.3 | 0 | 0 | 0 | 0 | 107.8 | C1388 D1392 | C1388-S1390 PolarHBondContact O-N 2.95Å; S1390-D1392 PolarHBondContact O-N 3.14Å | ||
| 1391 | T | 26.1 | Very low | 26.1 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -68.1 | 106.4 | 166.8 | 48.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1392 | D | 26.8 | Very low | 26.1 | Very low | 159 Ų | 159 | 125 Ų | 125 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -104.5 | 94.7 | 164.5 | -167.1 | 9.6 | 0 | 0 | 0 | 109 | S1390 G1394 | S1390-D1392 PolarHBondContact O-N 3.14Å; D1392-G1394 PolarHBondContact O-N 2.83Å | ||
| 1393 | S | 27.1 | Very low | 25.8 | Very low | 89 Ų | 89 | 124.3 Ų | 124.3 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | trans | -84.6 | 85 | 177.2 | 51.8 | 0 | 0 | 0 | 0 | 110 | H1395 | S1393-H1395 PolarHBondContact O-N 3.44Å; S1393-H1395 VanDerWaalsContact O-N 3.08Å | ||
| 1394 | G | 25.9 | Very low | 25.7 | Very low | 73 Ų | 73 | 124.4 Ų | 124.4 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -73.9 | 86.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1392 A1396 | D1392-G1394 PolarHBondContact O-N 2.83Å; G1394-A1396 PolarHBondContact O-N 2.77Å | ||
| 1395 | H | 26.1 | Very low | 25.2 | Very low | 177 Ų | 177 | 122.1 Ų | 122.1 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | trans | -72.3 | 98 | 168.9 | -83.3 | -88.4 | 0 | 0 | 0 | 110.4 | S1393 S1397 | S1393-H1395 PolarHBondContact O-N 3.44Å; S1393-H1395 VanDerWaalsContact O-N 3.08Å; H1395-S1397 PolarHBondContact O-N 3.17Å | ||
| 1396 | A | 26.6 | Very low | 25.1 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -84.2 | 93 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G1394 L1398 | G1394-A1396 PolarHBondContact O-N 2.77Å; A1396-L1398 PolarHBondContact O-N 2.92Å | ||
| 1397 | S | 25.1 | Very low | 24.7 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -76.3 | 108.1 | 168.2 | -168.7 | 0 | 0 | 0 | 0 | 108.6 | H1395 | H1395-S1397 PolarHBondContact O-N 3.17Š| ||
| 1398 | L | 25.7 | Very low | 24.6 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -112.7 | 98.2 | 171.3 | -95.6 | 157.8 | 0 | 0 | 0 | 108.3 | A1396 T1400 | A1396-L1398 PolarHBondContact O-N 2.92Å; L1398-T1400 PolarHBondContact O-N 2.95Å | ||
| 1399 | D | 25.4 | Very low | 24.3 | Very low | 144 Ų | 144 | 122.1 Ų | 122.1 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -56.3 | 121.2 | 170 | -72.8 | -47 | 0 | 0 | 0 | 109.9 | A1401 | D1399-A1401 VanDerWaalsContact C-N 3.3Å; D1399-A1401 PolarHBondContact O-N 3.22Å | ||
| 1400 | T | 23.1 | Very low | 24.3 | Very low | 140 Ų | 140 | 120.3 Ų | 120.3 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -77.6 | 86.8 | 170.9 | -51.6 | 0 | 0 | 0 | 0 | 107.1 | L1398 S1402 | L1398-T1400 PolarHBondContact O-N 2.95Å; T1400-S1402 PolarHBondContact O-N 2.7Å | ||
| 1401 | A | 24.2 | Very low | 24.2 | Very low | 86 Ų | 86 | 120.5 Ų | 120.5 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -66 | 104.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | D1399 V1403 | D1399-A1401 VanDerWaalsContact C-N 3.3Å; D1399-A1401 PolarHBondContact O-N 3.22Å; A1401-V1403 PolarHBondContact O-N 3.38Å | ||
| 1402 | S | 22 | Very low | 24.2 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -57.8 | 115.6 | 159.5 | 50.4 | 0 | 0 | 0 | 0 | 108.4 | T1400 T1404 | T1400-S1402 PolarHBondContact O-N 2.7Å; S1402-T1404 PolarHBondContact O-N 2.87Å | ||
| 1403 | V | 22.6 | Very low | 24.1 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -68.5 | 94 | 173 | 177.2 | 0 | 0 | 0 | 0 | 108 | A1401 | A1401-V1403 PolarHBondContact O-N 3.38Š| ||
| 1404 | T | 21.7 | Very low | 24.1 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | -71.8 | 117.2 | 155.5 | 13.8 | 0 | 0 | 0 | 0 | 107.6 | S1402 T1406 | S1402-T1404 PolarHBondContact O-N 2.87Å; T1404-T1406 PolarHBondContact O-N 3.01Å | ||
| 1405 | V | 20.5 | Very low | 24.2 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -70.7 | 95.5 | 170 | 177.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1406 | T | 21.9 | Very low | 24.3 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -93.2 | 118.1 | 164.7 | -4.3 | 0 | 0 | 0 | 0 | 107.7 | T1404 A1408 | T1404-T1406 PolarHBondContact O-N 3.01Å; T1406-A1408 PolarHBondContact O-N 2.78Å | ||
| 1407 | V | 21.1 | Very low | 24.5 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | trans | -59 | 118 | 172 | 177.5 | 0 | 0 | 0 | 0 | 108.2 | S1409 | V1407-S1409 PolarHBondContact O-N 2.98Š| ||
| 1408 | A | 22.4 | Very low | 24.5 | Very low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -73.6 | 110 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T1406 | T1406-A1408 PolarHBondContact O-N 2.78Š| ||
| 1409 | S | 23.3 | Very low | 24.3 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -79.9 | 119.9 | 163 | -43.2 | 0 | 0 | 0 | 0 | 108.5 | V1407 S1411 | V1407-S1409 PolarHBondContact O-N 2.98Å; S1409-S1411 PolarHBondContact O-N 3.49Å | ||
| 1410 | S | 24.7 | Very low | 24.4 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -57.7 | 121.6 | 175.5 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | L1412 | S1410-L1412 PolarHBondContact O-N 3.08Š| ||
| 1411 | S | 25.6 | Very low | 24.3 | Very low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -69.3 | 109.8 | 170.7 | 52 | 0 | 0 | 0 | 0 | 111 | S1409 | S1409-S1411 PolarHBondContact O-N 3.49Š| ||
| 1412 | L | 25.9 | Very low | 24.4 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 117.8 | 164 | -89.1 | 154.2 | 0 | 0 | 0 | 109.1 | S1410 S1414 | S1410-L1412 PolarHBondContact O-N 3.08Å; L1412-S1414 PolarHBondContact O-N 2.76Å |
| 1413 | S | 25.4 | Very low | 24.7 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 121.2 | 172.4 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1414 | S | 27.2 | Very low | 24.9 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 137.3 | 168.6 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | L1412 | L1412-S1414 PolarHBondContact O-N 2.76Š|
| 1415 | P | 29.1 | Very low | 25.1 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 166.9 | -179.1 | 34.3 | -34 | 0 | 0 | 0 | 113.1 | ||
| 1416 | P | 26.2 | Very low | 25.6 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 132 | -160.2 | 33.4 | -31.9 | 0 | 0 | 0 | 113.3 | ||
| 1417 | S | 31.1 | Very low | 25.7 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 121.8 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1418 | Q | 26.3 | Very low | 26 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 127.6 | 173 | -81.4 | 177.8 | -11.2 | 0 | 0 | 111.9 | Q1420 | Q1418-Q1420 PolarHBondContact O-N 3.32Š|
| 1419 | R | 20.4 | Very low | 26.3 | Very low | 243 Ų | 243 | 145.4 Ų | 145.4 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -37.6 | 114.2 | 159.6 | -167.1 | -178.9 | -165.1 | -169.1 | 3.7 | 113.1 | ||||
| 1420 | Q | 27 | Very low | 26.6 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -125.6 | 125.6 | 153.7 | -80.5 | -167.9 | 2.9 | 0 | 0 | 110.4 | Q1418 | Q1418-Q1420 PolarHBondContact O-N 3.32Š| ||
| 1421 | S | 22.6 | Very low | 26.6 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -78.2 | 135.7 | -176.8 | 48 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1422 | Y | 25.3 | Very low | 26.9 | Very low | 218 Ų | 218 | 148.6 Ų | 148.6 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | -132.7 | 146 | 147.9 | -83.4 | -80.9 | 0 | 0 | 0 | 110.7 | ||||
| 1423 | P | 28.2 | Very low | 26.9 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | trans | -99.5 | 176 | -161.6 | 39.1 | -29.3 | 0 | 0 | 0 | 113.6 | ||||
| 1424 | P | 27.9 | Very low | 27.1 | Very low | 127 Ų | 127 | 148.1 Ų | 148.1 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -101.9 | 163.2 | -155.9 | 38.4 | -32.4 | 0 | 0 | 0 | 115.5 | ||||
| 1425 | R | 25.9 | Very low | 26.9 | Very low | 243 Ų | 243 | 147.9 Ų | 147.9 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -138.7 | 155.7 | 163.2 | -114.5 | -151.9 | 168.9 | -162.7 | -2.1 | 110.5 | ||||
| 1426 | P | 30.1 | Very low | 27.3 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | -117.4 | 161 | -125.7 | 22.2 | 0.1 | 0 | 0 | 0 | 114.4 | |||||
| 1427 | T | 24 | Very low | 27.2 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -64.1 | 139.5 | 166.2 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1428 | N | 28.5 | Very low | 26.7 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -135.2 | 147.5 | 156.3 | -145.5 | -0 | 0 | 0 | 0 | 111.3 | ||||
| 1429 | T | 27.2 | Very low | 26.7 | Very low | 126 Ų | 126 | 148.7 Ų | 148.7 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -98.5 | 159.8 | -153.8 | 48.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1430 | G | 30.7 | Very low | 26.8 | Very low | 64 Ų | 64 | 144.2 Ų | 144.2 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | 158.7 | 85.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1431 | T | 25 | Very low | 26.6 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | 64.4 | 140.2 | 82.3 | 61.8 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1432 | K | 29.9 | Very low | 26.7 | Very low | 212 Ų | 212 | 147.8 Ų | 147.8 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | trans | 101.5 | 120.2 | 175 | -61.8 | 179 | 178.7 | -177.5 | 0 | 113.4 | ||||
| 1433 | G | 26.5 | Very low | 26.5 | Very low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | cis | 152.9 | 127.7 | 3.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1434 | M | 29.3 | Very low | 26.5 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 97% | 0.97 | 80% | 0.803 | S | S | * | * | trans | 83.4 | 138.2 | 145.4 | -62.1 | 162.5 | 72 | 0 | 0 | 120.5 | ||||
| 1435 | S | 23.2 | Very low | 26.2 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -107.6 | -157.2 | -164.5 | 51.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1436 | P | 38.4 | Very low | 26.2 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | -122 | -161.6 | -107 | 38.2 | -16.8 | 0 | 0 | 0 | 114.2 | |||||
| 1437 | S | 23.2 | Very low | 25.9 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | 82.2 | 110.4 | 160.7 | 66.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1438 | F | 21.4 | Very low | 26 | Very low | 197 Ų | 197 | 136.7 Ų | 136.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | 74.2 | 104.4 | 86.3 | -106.6 | -86.3 | 0 | 0 | 0 | 113.8 | |||||
| 1439 | D | 25.5 | Very low | 25.9 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -166.5 | 128.6 | 140.7 | -101.6 | -26.8 | 0 | 0 | 0 | 114.7 | ||||
| 1440 | H | 23.5 | Very low | 25.7 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | trans | -12.8 | 158.7 | 158.4 | -100.9 | -91.6 | 0 | 0 | 0 | 125.9 | ||||
| 1441 | Y | 21.7 | Very low | 25.6 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 87.8 | 111 | 155.5 | -78.3 | -77.3 | 0 | 0 | 0 | 120.4 | ||||
| 1442 | L | 26.3 | Very low | 25.6 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | 176.5 | 132.6 | 106.9 | -93.2 | 160.9 | 0 | 0 | 0 | 112.4 | |||||
| 1443 | S | 20.9 | Very low | 25.5 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -89.7 | 135.4 | 170 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1444 | T | 26.9 | Very low | 25.5 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -141.1 | 122.9 | 157.2 | 46.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1445 | S | 22.5 | Very low | 25.4 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -63.1 | 141.1 | 169.4 | 48 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1446 | N | 26.5 | Very low | 25.4 | Very low | 166 Ų | 166 | 144.2 Ų | 144.2 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -146.5 | 141.6 | 146.5 | -122.8 | -1.2 | 0 | 0 | 0 | 110.9 | ||||
| 1447 | S | 22.9 | Very low | 25.6 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -99.7 | 174.2 | -167 | 44.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1448 | A | 26.5 | Very low | 25.5 | Very low | 86 Ų | 86 | 144.1 Ų | 144.1 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 82.4 | 139.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1449 | E | 25.8 | Very low | 26 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | cis | -163.9 | 139.5 | 4.8 | -119.7 | 166.5 | 179.7 | 0 | 0 | 109.9 | ||||
| 1450 | S | 23.1 | Very low | 25.9 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 25.2 | 121.4 | 136.4 | -59.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1451 | T | 28.5 | Very low | 26 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 93% | 0.933 | 80% | 0.802 | S | S | * | * | -164.4 | 130.3 | 112.5 | 14.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1452 | A | 24.9 | Very low | 26.2 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -99.6 | 143.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1453 | L | 28.5 | Very low | 25.9 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | -124 | 124 | 154.8 | -82.8 | 174.3 | 0 | 0 | 0 | 110.4 | ||||
| 1454 | L | 26.9 | Very low | 26.1 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -54.4 | 135.8 | 179.4 | -70.8 | 145.5 | 0 | 0 | 0 | 113.9 | ||||
| 1455 | H | 25.7 | Very low | 25.9 | Very low | 151 Ų | 151 | 140 Ų | 140 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | 80.2 | 105.9 | 81.7 | -115.6 | -66.9 | 0 | 0 | 0 | 116 | |||||
| 1456 | R | 25.1 | Very low | 26.2 | Very low | 219 Ų | 219 | 140.4 Ų | 140.4 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | 40.8 | 174.3 | 131.1 | -80 | -166.6 | 179.2 | 175.2 | 0.7 | 121.7 | ||||
| 1457 | P | 40.9 | Very low | 26 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | cis | -142.1 | 178.8 | -46.3 | 42.2 | -24 | 0 | 0 | 0 | 114.4 | ||||
| 1458 | S | 22.4 | Very low | 26.5 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 15.7 | 128 | 148.1 | 61.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1459 | T | 31.1 | Very low | 26.3 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -134.4 | 130.2 | 148.6 | 35.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1460 | Q | 22.8 | Very low | 26.3 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -91 | 155.2 | 163.3 | -67.9 | -170 | -4.5 | 0 | 0 | 108.8 | ||||
| 1461 | L | 25.9 | Very low | 27 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | 167.7 | 135.8 | 129 | -87.2 | 160.4 | 0 | 0 | 0 | 112.8 | |||||
| 1462 | T | 26.2 | Very low | 27 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | 72.1 | 106.1 | 140.5 | 58.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1463 | S | 21.1 | Very low | 27.1 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -11.5 | 134.3 | 136.1 | -176.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1464 | S | 24.6 | Very low | 27 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | 167.9 | 132.8 | 111.7 | 49.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 1465 | Y | 21.9 | Very low | 27.2 | Very low | 217 Ų | 217 | 143.5 Ų | 143.5 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | 33.8 | 127.1 | 140.9 | -77.6 | -99.1 | 0 | 0 | 0 | 121.4 | ||||
| 1466 | V | 29.7 | Very low | 27.3 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | 173.6 | 129.6 | 102.9 | 161.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 1467 | S | 22.6 | Very low | 27.7 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -72.2 | 132.6 | 169.5 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1468 | K | 31.4 | Very low | 26.9 | Very low | 188 Ų | 188 | 148.3 Ų | 148.3 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | -153 | 103 | 151.1 | -72.6 | -170.1 | 179.7 | 174.8 | 0 | 107.4 | ||||
| 1469 | S | 23.8 | Very low | 27.3 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | 64.2 | 109.1 | 79.9 | 74.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 1470 | R | 25.7 | Very low | 27.1 | Very low | 249 Ų | 249 | 151 Ų | 151 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | trans | 83.5 | 156.7 | 139.7 | -87.6 | -161.9 | 165.5 | 172.2 | -4.1 | 121 | ||||
| 1471 | P | 36.7 | Very low | 27.5 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -117 | 164.9 | -135.9 | 42.1 | -30.4 | 0 | 0 | 0 | 114.6 | ||||
| 1472 | L | 30 | Very low | 27.7 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -129.3 | 99.5 | 162.6 | -73.2 | 164.2 | 0 | 0 | 0 | 105.9 | ||||
| 1473 | S | 26 | Very low | 27.9 | Very low | 101 Ų | 101 | 150.8 Ų | 150.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | 57.1 | 112.5 | 93.6 | 88.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1474 | A | 26.3 | Very low | 28.3 | Very low | 91 Ų | 91 | 154.4 Ų | 154.4 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | 8.3 | 123.8 | 149.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1475 | N | 32.1 | Very low | 28.5 | Very low | 164 Ų | 164 | 157 Ų | 157 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -143.7 | 115.1 | 142.8 | -112.1 | -16.5 | 0 | 0 | 0 | 109.7 | K1477 | N1475-K1477 PolarHBondContact O-N 2.68Š| ||
| 1476 | D | 27.2 | Very low | 28.8 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -49 | 125.1 | 164.6 | -73.3 | -54.6 | 0 | 0 | 0 | 111.4 | ||||
| 1477 | K | 32.7 | Very low | 28.7 | Very low | 195 Ų | 195 | 157.4 Ų | 157.4 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -143.4 | 95.8 | 145.5 | -74.8 | -161.4 | 177.4 | 179.8 | 0 | 110 | N1475 I1479 | N1475-K1477 PolarHBondContact O-N 2.68Å; K1477-I1479 PolarHBondContact O-N 3.47Å | ||
| 1478 | R | 23.8 | Very low | 29 | Very low | 225 Ų | 225 | 155.4 Ų | 155.4 | 85% | 0.849 | 81% | 0.807 | S | S | * | * | trans | -41.7 | 119 | 146.5 | -98.4 | 172.7 | 159.8 | 166.6 | -5.5 | 109.8 | ||||
| 1479 | I | 31.1 | Very low | 28.7 | Very low | 154 Ų | 154 | 151 Ų | 151 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -135 | 105.5 | 147.3 | -61.9 | -177.4 | 0 | 0 | 0 | 104.9 | K1477 | K1477-I1479 PolarHBondContact O-N 3.47Š| ||
| 1480 | E | 27.3 | Very low | 29 | Very low | 155 Ų | 155 | 153.4 Ų | 153.4 | 72% | 0.724 | 81% | 0.811 | S | S | * | * | trans | -73.5 | 124.1 | 162.8 | -70.7 | 170 | 171.4 | 0 | 0 | 106.9 | ||||
| 1481 | D | 31.3 | Very low | 29 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -163 | 114.2 | 141 | -96.2 | -29.5 | 0 | 0 | 0 | 108.5 | ||||
| 1482 | P | 30 | Very low | 28.7 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -89.2 | 108.6 | 176.1 | 31.8 | -26.6 | 0 | 0 | 0 | 110.1 | E1484 | P1482-E1484 PolarHBondContact O-N 3.32Š| ||
| 1483 | E | 31.5 | Very low | 28.6 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -73.2 | 115 | 166.4 | -74.9 | -175.9 | 158.3 | 0 | 0 | 109.8 | L1485 | E1483-L1485 PolarHBondContact O-N 2.73Š| ||
| 1484 | E | 28 | Very low | 28.7 | Very low | 184 Ų | 184 | 154.5 Ų | 154.5 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -60.6 | 97 | 168.1 | -72.5 | -178.9 | 143.9 | 0 | 0 | 110.4 | P1482 C1486 | P1482-E1484 PolarHBondContact O-N 3.32Å; E1484-C1486 PolarHBondContact O-N 2.97Å | ||
| 1485 | L | 30.2 | Very low | 28.9 | Very low | 154 Ų | 154 | 160.5 Ų | 160.5 | 81% | 0.806 | 84% | 0.838 | S | S | * | * | trans | -77.8 | 94 | 164.7 | -86.6 | 155.9 | 0 | 0 | 0 | 109.2 | E1483 Y1487 | E1483-L1485 PolarHBondContact O-N 2.73Å; L1485-Y1487 PolarHBondContact O-N 2.87Å | ||
| 1486 | C | 26.6 | Very low | 28.8 | Very low | 124 Ų | 124 | 160.3 Ų | 160.3 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | -52.6 | 101.4 | 166.6 | -71.3 | 0 | 0 | 0 | 0 | 111 | E1484 G1488 | E1484-C1486 PolarHBondContact O-N 2.97Å; C1486-G1488 PolarHBondContact O-N 3.24Å | ||
| 1487 | Y | 29.4 | Very low | 28.8 | Very low | 226 Ų | 226 | 160.6 Ų | 160.6 | 89% | 0.886 | 84% | 0.837 | S | S | * | * | trans | -74.5 | 102.2 | 164.2 | -102.6 | -91.9 | 0 | 0 | 0 | 108.9 | L1485 A1489 | L1485-Y1487 PolarHBondContact O-N 2.87Å; Y1487-A1489 PolarHBondContact O-N 3.09Å | ||
| 1488 | G | 27.7 | Very low | 28.6 | Very low | 67 Ų | 67 | 158.7 Ų | 158.7 | 69% | 0.691 | 84% | 0.836 | S | S | * | * | trans | -60.6 | 124.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111 | C1486 N1490 | C1486-G1488 PolarHBondContact O-N 3.24Å; G1488-N1490 PolarHBondContact O-N 2.91Å; G1488-N1490 VanDerWaalsContact O-N 3.13Å | ||
| 1489 | A | 26.1 | Very low | 28.9 | Very low | 95 Ų | 95 | 154.8 Ų | 154.8 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | trans | -65.3 | 103.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y1487 Q1491 | Y1487-A1489 PolarHBondContact O-N 3.09Å; A1489-Q1491 PolarHBondContact O-N 2.84Å; A1489-Q1491 VanDerWaalsContact O-N 3.09Å | ||
| 1490 | N | 29.2 | Very low | 28.8 | Very low | 155 Ų | 155 | 154.8 Ų | 154.8 | 83% | 0.829 | 84% | 0.838 | S | S | * | * | trans | -74.2 | 93.7 | 164.9 | -94.9 | -29.8 | 0 | 0 | 0 | 108.8 | G1488 V1492 | G1488-N1490 PolarHBondContact O-N 2.91Å; G1488-N1490 VanDerWaalsContact O-N 3.13Å; N1490-V1492 PolarHBondContact O-N 3.47Å | ||
| 1491 | Q | 26.5 | Very low | 28.9 | Very low | 188 Ų | 188 | 154.8 Ų | 154.8 | 88% | 0.879 | 85% | 0.846 | S | S | * | * | trans | -63.1 | 98.7 | 161.9 | -74.8 | -172 | -9.7 | 0 | 0 | 109 | A1489 | A1489-Q1491 PolarHBondContact O-N 2.84Å; A1489-Q1491 VanDerWaalsContact O-N 3.09Å | ||
| 1492 | V | 30.3 | Very low | 28.7 | Very low | 117 Ų | 117 | 155 Ų | 155 | 71% | 0.709 | 85% | 0.848 | S | S | * | * | trans | -95.8 | 95.4 | 160.6 | 179.8 | 0 | 0 | 0 | 0 | 106.4 | N1490 R1494 | N1490-V1492 PolarHBondContact O-N 3.47Å; V1492-R1494 PolarHBondContact O-N 3.12Å; V1492-R1494 VanDerWaalsContact O-N 3.11Å | ||
| 1493 | S | 26.9 | Very low | 28.6 | Very low | 115 Ų | 115 | 157.8 Ų | 157.8 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | trans | -58.2 | 106.5 | 166.8 | 45 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1494 | R | 29.4 | Very low | 28.4 | Very low | 230 Ų | 230 | 155.9 Ų | 155.9 | 87% | 0.868 | 86% | 0.855 | S | S | * | * | trans | -99.7 | 118.7 | 164.3 | -88.7 | -174.9 | 173.6 | 173.8 | -0.6 | 108.3 | V1492 | V1492-R1494 PolarHBondContact O-N 3.12Å; V1492-R1494 VanDerWaalsContact O-N 3.11Å | ||
| 1495 | V | 30.1 | Very low | 28.4 | Very low | 216 Ų | 216 | 153.4 Ų | 153.4 | 100% | 1.309 | 86% | 0.855 | S | S | * | * | trans | -45.6 | 0 | 166.4 | 176.3 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 1,495 of 1,495 residues in 1922.1 ms
(Link to these results)