| 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 | 65 | Low | 88.6 | Confident | 180 Ų | 180 | 74.5 Ų | 74.5 | 89% | 0.887 | 40% | 0.403 | S | S | * | . | 0 | -51.8 | 0 | -141 | 95.7 | 150 | 0 | 0 | 111.9 | Y3 I4 | M1-Y3 PolarHBondContact O-N 3.05Å; M1-I4 PolarHBondContact O-N 3.37Å | |||
| 2 | S | 80.2 | Confident | 89.2 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 68% | 0.678 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -54.3 | -51.8 | -173.1 | -173.2 | 0 | 0 | 0 | 0 | 114.9 | I4 C5 V6 | S2-I4 VanDerWaalsContact C-N 3.25Å; S2-I4 PolarHBondContact O-N 3.34Å; S2-I4 VanDerWaalsContact O-N 3.15Å; S2-C5 PolarHBondContact O-N 3.42Å; S2-C5 VanDerWaalsContact O-N 3.15Å; S2-V6 PolarHBondContact O-N 2.88Å |
| 3 | Y | 89 | Confident | 89.8 | Confident | 143 Ų | 143 | 72.9 Ų | 72.9 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.3 | -27.2 | -176.3 | 74.8 | -89.8 | 0 | 0 | 0 | 114.6 | M1 V6 L7 | M1-Y3 PolarHBondContact O-N 3.05Å; Y3-V6 PolarHBondContact O-N 3.16Å; Y3-L7 WeakPolarHBondContact O-CB 3.38Å; Y3-L7 PolarHBondContact O-N 3.17Å |
| 4 | I | 88.9 | Confident | 90.2 | Very high | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.092 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -74.2 | -38.1 | -180 | -60.7 | 154.8 | 0 | 0 | 0 | 110.4 | M1 S2 V6 L7 R8 T271 | M1-I4 PolarHBondContact O-N 3.37Å; S2-I4 VanDerWaalsContact C-N 3.25Å; S2-I4 PolarHBondContact O-N 3.34Å; S2-I4 VanDerWaalsContact O-N 3.15Å; I4-V6 VanDerWaalsContact C-N 3.31Å; I4-L7 WeakPolarHBondContact O-CB 3.31Å; I4-L7 PolarHBondContact O-N 3.23Å; I4-R8 WeakPolarHBondContact O-CG 3.4Å; I4-R8 PolarHBondContact O-N 3.26Å; I4-T271 HydrophobicContact CD1-CG2 3.38Å; I4-T271 HydrophobicContact CG1-CG2 4.46Å |
| 5 | C | 89.3 | Confident | 90.7 | Very high | 70 Ų | 70 | 65.6 Ų | 65.6 | 47% | 0.473 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 174.1 | -65.4 | 0 | 0 | 0 | 0 | 109.9 | S2 L7 R8 C9 | S2-C5 PolarHBondContact O-N 3.42Å; S2-C5 VanDerWaalsContact O-N 3.15Å; C5-L7 PolarHBondContact O-N 3.24Å; C5-R8 PolarHBondContact O-N 2.96Å; C5-C9 PolarHBondContact O-N 3.47Å; C5-C9 PolarHBondContact O-SG 3.15Å |
| 6 | V | 92.4 | Very high | 91.1 | Very high | 78 Ų | 78 | 66.6 Ų | 66.6 | 47% | 0.473 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | S2 Y3 I4 R8 C9 I10 | S2-V6 PolarHBondContact O-N 2.88Å; Y3-V6 PolarHBondContact O-N 3.16Å; I4-V6 VanDerWaalsContact C-N 3.31Å; V6-R8 VanDerWaalsContact C-N 3.34Å; V6-R8 PolarHBondContact O-N 3.43Å; V6-C9 PolarHBondContact O-N 3.26Å; V6-I10 HydrophobicContact CG1-CD1 3.77Å; V6-I10 HydrophobicContact CG1-CG1 4.38Å; V6-I10 WeakPolarHBondContact O-CG1 3.31Å; V6-I10 PolarHBondContact O-N 3.42Å |
| 7 | L | 92.5 | Very high | 91.5 | Very high | 21 Ų | 21 | 67.8 Ų | 67.8 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.6 | -44.3 | 178.1 | -167.5 | 66.6 | 0 | 0 | 0 | 113.1 | Y3 I4 C5 I10 L11 F264 T267 I268 | Y3-L7 WeakPolarHBondContact O-CB 3.38Å; Y3-L7 PolarHBondContact O-N 3.17Å; I4-L7 WeakPolarHBondContact O-CB 3.31Å; I4-L7 PolarHBondContact O-N 3.23Å; C5-L7 PolarHBondContact O-N 3.24Å; L7-I10 PolarHBondContact O-N 3.3Å; L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 PolarHBondContact O-N 2.93Å; L7-F264 HydrophobicContact CD1-CB 3.83Å; L7-F264 HydrophobicContact CD1-CD1 3.23Å; L7-F264 HydrophobicContact CD1-CD2 3.54Å; L7-F264 HydrophobicContact CD1-CE1 3.45Å; L7-F264 VanDerWaalsContact CD1-CE1 3.45Å; L7-F264 HydrophobicContact CD1-CE2 3.77Å; L7-F264 HydrophobicContact CD1-CG 3.24Å; L7-F264 HydrophobicContact CD1-CZ 3.71Å; L7-F264 HydrophobicContact CD2-CB 4.31Å; L7-F264 HydrophobicContact CG-CB 4.05Å; L7-F264 HydrophobicContact CG-CD1 4.3Å; L7-F264 HydrophobicContact CG-CD2 4.34Å; L7-F264 HydrophobicContact CG-CG 3.99Å; L7-T267 HydrophobicContact CD2-CG2 3.89Å; L7-I268 HydrophobicContact CD2-CD1 4.41Å; L7-I268 HydrophobicContact CD2-CG1 3.92Å; L7-I268 HydrophobicContact CG-CD1 4.48Å; L7-I268 HydrophobicContact CG-CG1 4.46Å |
| 8 | R | 93.1 | Very high | 91.7 | Very high | 54 Ų | 54 | 66.6 Ų | 66.6 | 20% | 0.204 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 176.4 | -72.3 | -175.5 | 173.4 | 160.8 | -1.1 | 111.5 | I4 C5 V6 I10 L11 V12 T96 I268 | I4-R8 WeakPolarHBondContact O-CG 3.4Å; I4-R8 PolarHBondContact O-N 3.26Å; C5-R8 PolarHBondContact O-N 2.96Å; V6-R8 VanDerWaalsContact C-N 3.34Å; V6-R8 PolarHBondContact O-N 3.43Å; R8-I10 VanDerWaalsContact C-N 3.35Å; R8-I10 PolarHBondContact O-N 3.17Å; R8-L11 PolarHBondContact O-N 3.46Å; R8-V12 WeakPolarHBondContact O-CB 3.24Å; R8-V12 VanDerWaalsContact O-CG2 3.28Å; R8-V12 WeakPolarHBondContact O-CG2 3.35Å; R8-V12 PolarHBondContact O-N 3.37Å; R8-T96 HydrophobicContact CB-CG2 3.57Å; R8-T96 HydrophobicContact CG-CG2 3.65Å; R8-I268 HydrophobicContact CG-CD1 3.9Å; R8-I268 HydrophobicContact CG-CG1 4.15Å |
| 9 | C | 93.9 | Very high | 92 | Very high | 85 Ų | 85 | 63.4 Ų | 63.4 | 57% | 0.574 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.7 | -44.7 | 177.3 | -67.7 | 0 | 0 | 0 | 0 | 111.4 | C5 V6 V12 L13 | C5-C9 PolarHBondContact O-N 3.47Å; C5-C9 PolarHBondContact O-SG 3.15Å; V6-C9 PolarHBondContact O-N 3.26Å; C9-V12 PolarHBondContact O-N 3.13Å; C9-L13 VanDerWaalsContact O-CB 3.25Å; C9-L13 WeakPolarHBondContact O-CB 3.38Å; C9-L13 PolarHBondContact O-N 3.48Å |
| 10 | I | 94.9 | Very high | 92.3 | Very high | 73 Ų | 73 | 66.4 Ų | 66.4 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 176.9 | -65.6 | 167.2 | 0 | 0 | 0 | 110.3 | V6 L7 R8 V12 L13 V14 F264 | V6-I10 HydrophobicContact CG1-CD1 3.77Å; V6-I10 HydrophobicContact CG1-CG1 4.38Å; V6-I10 WeakPolarHBondContact O-CG1 3.31Å; V6-I10 PolarHBondContact O-N 3.42Å; L7-I10 PolarHBondContact O-N 3.3Å; R8-I10 VanDerWaalsContact C-N 3.35Å; R8-I10 PolarHBondContact O-N 3.17Å; I10-V12 VanDerWaalsContact C-N 3.32Å; I10-V12 PolarHBondContact O-N 2.67Å; I10-L13 PolarHBondContact O-N 2.81Å; I10-V14 HydrophobicContact CG2-CG2 4.2Å; I10-V14 VanDerWaalsContact O-CG2 3.31Å; I10-V14 WeakPolarHBondContact O-CG2 3.29Å; I10-V14 PolarHBondContact O-N 3.28Å; I10-F264 HydrophobicContact CG2-CE2 3.87Å |
| 11 | L | 95 | Very high | 92.4 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | -179.2 | -172.8 | 65.4 | 0 | 0 | 0 | 111.5 | L7 R8 N15 T96 Y107 F261 F264 I268 | L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 PolarHBondContact O-N 2.93Å; R8-L11 PolarHBondContact O-N 3.46Å; L11-N15 WeakPolarHBondContact CD1-ND2 3.48Å; L11-N15 WeakPolarHBondContact O-CB 3.46Å; L11-N15 PolarHBondContact O-N 3.33Å; L11-N15 VanDerWaalsContact O-N 3.1Å; L11-N15 PolarHBondContact O-ND2 3.35Å; L11-T96 WeakPolarHBondContact CD2-OG1 3.19Å; L11-Y107 HydrophobicContact CD1-CE1 4.47Å; L11-F261 HydrophobicContact CD1-CB 4.35Å; L11-F261 HydrophobicContact CD1-CD1 3.67Å; L11-F261 HydrophobicContact CD1-CE1 4.37Å; L11-F261 HydrophobicContact CD1-CG 4.24Å; L11-F264 HydrophobicContact CD1-CB 4.5Å; L11-I268 HydrophobicContact CD2-CD1 3.77Å |
| 12 | V | 96.5 | Very high | 93.9 | Very high | 25 Ų | 25 | 59.6 Ų | 59.6 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.8 | -48.8 | 176.8 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | R8 C9 I10 V14 N15 I16 V93 T96 | R8-V12 WeakPolarHBondContact O-CB 3.24Å; R8-V12 VanDerWaalsContact O-CG2 3.28Å; R8-V12 WeakPolarHBondContact O-CG2 3.35Å; R8-V12 PolarHBondContact O-N 3.37Å; C9-V12 PolarHBondContact O-N 3.13Å; I10-V12 VanDerWaalsContact C-N 3.32Å; I10-V12 PolarHBondContact O-N 2.67Å; V12-V14 PolarHBondContact O-N 3.42Å; V12-N15 PolarHBondContact O-N 2.85Å; V12-I16 HydrophobicContact CG1-CD1 3.68Å; V12-I16 HydrophobicContact CG1-CG1 4.38Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.29Å; V12-I16 PolarHBondContact O-N 3.26Å; V12-V93 HydrophobicContact CG1-CG1 4.45Å; V12-T96 HydrophobicContact CG2-CG2 3.6Å |
| 13 | L | 96.5 | Very high | 94.6 | Very high | 103 Ų | 103 | 55.8 Ų | 55.8 | 54% | 0.539 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | -177.8 | -179.5 | 130.4 | 0 | 0 | 0 | 111.7 | C9 I10 I16 I17 | C9-L13 VanDerWaalsContact O-CB 3.25Å; C9-L13 WeakPolarHBondContact O-CB 3.38Å; C9-L13 PolarHBondContact O-N 3.48Å; I10-L13 PolarHBondContact O-N 2.81Å; L13-I16 PolarHBondContact O-N 3.04Å; L13-I17 HydrophobicContact CD2-CD1 3.75Å; L13-I17 HydrophobicContact CG-CD1 4.17Å; L13-I17 WeakPolarHBondContact O-CG1 3.44Å; L13-I17 PolarHBondContact O-N 3.2Å; L13-I17 VanDerWaalsContact O-N 3.07Å |
| 14 | V | 96.3 | Very high | 94.9 | Very high | 34 Ų | 34 | 51.4 Ų | 51.4 | 21% | 0.206 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.1 | -40.5 | -179.4 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | I10 V12 I16 I17 I18 F261 | I10-V14 HydrophobicContact CG2-CG2 4.2Å; I10-V14 VanDerWaalsContact O-CG2 3.31Å; I10-V14 WeakPolarHBondContact O-CG2 3.29Å; I10-V14 PolarHBondContact O-N 3.28Å; V12-V14 PolarHBondContact O-N 3.42Å; V14-I16 VanDerWaalsContact C-N 3.32Å; V14-I16 PolarHBondContact O-N 2.76Å; V14-I17 PolarHBondContact O-N 3.26Å; V14-I18 HydrophobicContact CG1-CD1 3.69Å; V14-I18 HydrophobicContact CG1-CG1 4.25Å; V14-I18 WeakPolarHBondContact O-CG1 3.41Å; V14-I18 PolarHBondContact O-N 3.22Å; V14-F261 HydrophobicContact CB-CE1 4.09Å; V14-F261 HydrophobicContact CB-CZ 4.26Å; V14-F261 HydrophobicContact CG1-CE1 3.68Å; V14-F261 HydrophobicContact CG1-CZ 3.41Å; V14-F261 VanDerWaalsContact CG1-CZ 3.41Å |
| 15 | N | 97.1 | Very high | 95 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.011 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.9 | -32.6 | 175.5 | -82.5 | -79.6 | 0 | 0 | 0 | 112.6 | L11 V12 G19 C89 V93 Y107 | L11-N15 WeakPolarHBondContact CD1-ND2 3.48Å; L11-N15 WeakPolarHBondContact O-CB 3.46Å; L11-N15 PolarHBondContact O-N 3.33Å; L11-N15 VanDerWaalsContact O-N 3.1Å; L11-N15 PolarHBondContact O-ND2 3.35Å; V12-N15 PolarHBondContact O-N 2.85Å; N15-G19 WeakPolarHBondContact O-CA 3.45Å; N15-G19 PolarHBondContact O-N 3.28Å; N15-C89 HydrophobicContact CB-CB 4.37Å; N15-C89 WeakPolarHBondContact O-CB 3.3Å; N15-C89 WeakPolarHBondContact OD1-CA 3.34Å; N15-V93 HydrophobicContact CB-CG2 3.88Å; N15-Y107 PolarHBondContact ND2-OH 3.29Å |
| 16 | I | 97.4 | Very high | 95.2 | Very high | 81 Ų | 81 | 51.3 Ų | 51.3 | 42% | 0.415 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.7 | -48.1 | 172.8 | -71 | 167.9 | 0 | 0 | 0 | 110.1 | V12 L13 V14 G19 L20 V93 | V12-I16 HydrophobicContact CG1-CD1 3.68Å; V12-I16 HydrophobicContact CG1-CG1 4.38Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.29Å; V12-I16 PolarHBondContact O-N 3.26Å; L13-I16 PolarHBondContact O-N 3.04Å; V14-I16 VanDerWaalsContact C-N 3.32Å; V14-I16 PolarHBondContact O-N 2.76Å; I16-G19 PolarHBondContact O-N 3.23Å; I16-L20 HydrophobicContact CG2-CD1 4.1Å; I16-L20 HydrophobicContact CG2-CG 4.43Å; I16-L20 VanDerWaalsContact O-CG 3.29Å; I16-L20 WeakPolarHBondContact O-CG 3.37Å; I16-L20 PolarHBondContact O-N 3.44Å; I16-V93 HydrophobicContact CG1-CG2 3.91Å |
| 17 | I | 97 | Very high | 95.2 | Very high | 88 Ų | 88 | 52.1 Ų | 52.1 | 45% | 0.451 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.8 | -51.2 | -178.7 | -65.6 | 165.9 | 0 | 0 | 0 | 110.8 | L13 V14 G19 L20 I21 | L13-I17 HydrophobicContact CD2-CD1 3.75Å; L13-I17 HydrophobicContact CG-CD1 4.17Å; L13-I17 WeakPolarHBondContact O-CG1 3.44Å; L13-I17 PolarHBondContact O-N 3.2Å; L13-I17 VanDerWaalsContact O-N 3.07Å; V14-I17 PolarHBondContact O-N 3.26Å; I17-G19 VanDerWaalsContact C-N 3.31Å; I17-G19 PolarHBondContact O-N 3.02Å; I17-L20 PolarHBondContact O-N 2.92Å; I17-I21 HydrophobicContact CG2-CD1 4.23Å; I17-I21 WeakPolarHBondContact O-CG1 3.28Å; I17-I21 PolarHBondContact O-N 2.93Å |
| 18 | I | 96.1 | Very high | 94.9 | Very high | 45 Ų | 45 | 55.2 Ų | 55.2 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 178.8 | -62.6 | 173.3 | 0 | 0 | 0 | 110.4 | V14 L20 I21 A22 I85 L257 F261 | V14-I18 HydrophobicContact CG1-CD1 3.69Å; V14-I18 HydrophobicContact CG1-CG1 4.25Å; V14-I18 WeakPolarHBondContact O-CG1 3.41Å; V14-I18 PolarHBondContact O-N 3.22Å; I18-L20 PolarHBondContact O-N 3.34Å; I18-I21 PolarHBondContact O-N 3.36Å; I18-A22 WeakPolarHBondContact O-CB 3.25Å; I18-A22 PolarHBondContact O-N 2.9Å; I18-I85 HydrophobicContact CG2-CG2 4.07Å; I18-L257 HydrophobicContact CD1-CD2 4.17Å; I18-F261 HydrophobicContact CD1-CE2 4.06Å; I18-F261 HydrophobicContact CD1-CZ 3.89Å |
| 19 | G | 97.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N15 I16 I17 A22 G23 F86 | N15-G19 WeakPolarHBondContact O-CA 3.45Å; N15-G19 PolarHBondContact O-N 3.28Å; I16-G19 PolarHBondContact O-N 3.23Å; I17-G19 VanDerWaalsContact C-N 3.31Å; I17-G19 PolarHBondContact O-N 3.02Å; G19-A22 PolarHBondContact O-N 3.49Å; G19-G23 PolarHBondContact O-N 3.16Å; G19-F86 VanDerWaalsContact O-CD2 3.26Å; G19-F86 WeakPolarHBondContact O-CD2 3.13Å |
| 20 | L | 97.1 | Very high | 94.3 | Very high | 124 Ų | 124 | 49 Ų | 49 | 65% | 0.649 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 175.8 | -71.3 | 173.7 | 0 | 0 | 0 | 111.8 | I16 I17 I18 G23 A24 | I16-L20 HydrophobicContact CG2-CD1 4.1Å; I16-L20 HydrophobicContact CG2-CG 4.43Å; I16-L20 VanDerWaalsContact O-CG 3.29Å; I16-L20 WeakPolarHBondContact O-CG 3.37Å; I16-L20 PolarHBondContact O-N 3.44Å; I17-L20 PolarHBondContact O-N 2.92Å; I18-L20 PolarHBondContact O-N 3.34Å; L20-G23 PolarHBondContact O-N 3.38Å; L20-A24 PolarHBondContact O-N 3.47Å |
| 21 | I | 95.6 | Very high | 93.8 | Very high | 100 Ų | 100 | 50 Ų | 50 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 176.4 | -63.7 | 166.9 | 0 | 0 | 0 | 110.3 | I17 I18 G23 A24 I25 | I17-I21 HydrophobicContact CG2-CD1 4.23Å; I17-I21 WeakPolarHBondContact O-CG1 3.28Å; I17-I21 PolarHBondContact O-N 2.93Å; I18-I21 PolarHBondContact O-N 3.36Å; I21-G23 VanDerWaalsContact C-N 3.32Å; I21-G23 PolarHBondContact O-N 3.1Å; I21-A24 PolarHBondContact O-N 3.5Å; I21-I25 HydrophobicContact CG2-CD1 3.88Å; I21-I25 WeakPolarHBondContact O-CG1 3.27Å; I21-I25 PolarHBondContact O-N 3.47Å |
| 22 | A | 95.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I18 G19 I25 T26 I85 F86 | I18-A22 WeakPolarHBondContact O-CB 3.25Å; I18-A22 PolarHBondContact O-N 2.9Å; G19-A22 PolarHBondContact O-N 3.49Å; A22-I25 PolarHBondContact O-N 3.28Å; A22-T26 WeakPolarHBondContact O-CB 3.33Å; A22-T26 PolarHBondContact O-N 2.9Å; A22-T26 PolarHBondContact O-OG1 2.95Å; A22-I85 HydrophobicContact CB-CB 3.98Å; A22-I85 HydrophobicContact CB-CG2 3.65Å; A22-F86 HydrophobicContact CB-CB 4.18Å |
| 23 | G | 95.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G19 L20 I21 T26 V27 | G19-G23 PolarHBondContact O-N 3.16Å; L20-G23 PolarHBondContact O-N 3.38Å; I21-G23 VanDerWaalsContact C-N 3.32Å; I21-G23 PolarHBondContact O-N 3.1Å; G23-T26 WeakPolarHBondContact O-CB 3.47Å; G23-T26 PolarHBondContact O-N 3.18Å; G23-V27 WeakPolarHBondContact O-CG2 3.41Å; G23-V27 PolarHBondContact O-N 3.15Å |
| 24 | A | 94.4 | Very high | 91.3 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | L20 I21 T26 V27 I28 | L20-A24 PolarHBondContact O-N 3.47Å; I21-A24 PolarHBondContact O-N 3.5Å; A24-T26 VanDerWaalsContact C-N 3.3Å; A24-T26 PolarHBondContact O-N 3.37Å; A24-V27 PolarHBondContact O-N 3.41Å; A24-I28 VanDerWaalsContact O-CG1 3.3Å; A24-I28 WeakPolarHBondContact O-CG1 3.31Å; A24-I28 PolarHBondContact O-N 2.94Å |
| 25 | I | 92.1 | Very high | 89.9 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 175.3 | -67.7 | 168.4 | 0 | 0 | 0 | 111 | I21 A22 I28 G29 I78 | I21-I25 HydrophobicContact CG2-CD1 3.88Å; I21-I25 WeakPolarHBondContact O-CG1 3.27Å; I21-I25 PolarHBondContact O-N 3.47Å; A22-I25 PolarHBondContact O-N 3.28Å; I25-I28 PolarHBondContact O-N 3.28Å; I25-G29 PolarHBondContact O-N 3.47Å; I25-I78 HydrophobicContact CG2-CG2 3.55Å |
| 26 | T | 93.7 | Very high | 88.3 | Confident | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 176.7 | -54.2 | 0 | 0 | 0 | 0 | 111 | A22 G23 A24 I28 G29 G30 F79 G82 L83 | A22-T26 WeakPolarHBondContact O-CB 3.33Å; A22-T26 PolarHBondContact O-N 2.9Å; A22-T26 PolarHBondContact O-OG1 2.95Å; G23-T26 WeakPolarHBondContact O-CB 3.47Å; G23-T26 PolarHBondContact O-N 3.18Å; A24-T26 VanDerWaalsContact C-N 3.3Å; A24-T26 PolarHBondContact O-N 3.37Å; T26-I28 VanDerWaalsContact C-N 3.34Å; T26-I28 PolarHBondContact O-N 3.03Å; T26-G29 PolarHBondContact O-N 3.37Å; T26-G30 PolarHBondContact O-N 3.02Å; T26-F79 HydrophobicContact CG2-CD2 3.72Å; T26-F79 HydrophobicContact CG2-CE2 3.59Å; T26-F79 HydrophobicContact CG2-CZ 4.37Å; T26-F79 VanDerWaalsContact O-CD2 3.3Å; T26-F79 WeakPolarHBondContact O-CD2 3.36Å; T26-G82 WeakPolarHBondContact OG1-CA 3.48Å; T26-G82 PolarHBondContact OG1-O 3.36Å; T26-L83 HydrophobicContact CG2-CB 4.01Å; T26-L83 HydrophobicContact CG2-CD1 4.34Å; T26-L83 PolarHBondContact OG1-N 2.99Å; T26-L83 VanDerWaalsContact OG1-N 3.1Å |
| 27 | V | 91.8 | Very high | 86.5 | Confident | 95 Ų | 95 | 66.7 Ų | 66.7 | 58% | 0.576 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.1 | -44.8 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | G23 A24 G30 I31 | G23-V27 WeakPolarHBondContact O-CG2 3.41Å; G23-V27 PolarHBondContact O-N 3.15Å; A24-V27 PolarHBondContact O-N 3.41Å; V27-G30 PolarHBondContact O-N 3.25Å; V27-I31 HydrophobicContact CG1-CD1 3.96Å; V27-I31 VanDerWaalsContact O-CG1 3.28Å; V27-I31 WeakPolarHBondContact O-CG1 3.05Å; V27-I31 PolarHBondContact O-N 2.96Å |
| 28 | I | 87 | Confident | 84.7 | Confident | 86 Ų | 86 | 66.3 Ų | 66.3 | 44% | 0.441 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.4 | -49.1 | 176.9 | -67.6 | 165.3 | 0 | 0 | 0 | 110.8 | A24 I25 T26 G30 I31 Y32 | A24-I28 VanDerWaalsContact O-CG1 3.3Å; A24-I28 WeakPolarHBondContact O-CG1 3.31Å; A24-I28 PolarHBondContact O-N 2.94Å; I25-I28 PolarHBondContact O-N 3.28Å; T26-I28 VanDerWaalsContact C-N 3.34Å; T26-I28 PolarHBondContact O-N 3.03Å; I28-G30 VanDerWaalsContact C-N 3.31Å; I28-G30 PolarHBondContact O-N 3.19Å; I28-I31 WeakPolarHBondContact O-CB 3.4Å; I28-I31 PolarHBondContact O-N 3.47Å; I28-Y32 HydrophobicContact CG2-CD2 3.84Å; I28-Y32 HydrophobicContact CG2-CE2 3.54Å; I28-Y32 WeakPolarHBondContact O-CD2 3.26Å; I28-Y32 PolarHBondContact O-N 2.9Å |
| 29 | G | 86.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I25 T26 I31 Y32 I33 | I25-G29 PolarHBondContact O-N 3.47Å; T26-G29 PolarHBondContact O-N 3.37Å; G29-I31 VanDerWaalsContact C-N 3.34Å; G29-I31 PolarHBondContact O-N 3.35Å; G29-Y32 PolarHBondContact O-N 3.5Å; G29-Y32 VanDerWaalsContact O-N 3.13Å; G29-I33 WeakPolarHBondContact O-CG1 3.42Å; G29-I33 PolarHBondContact O-N 2.98Å; G29-I33 VanDerWaalsContact O-N 3.07Å |
| 30 | G | 87.7 | Confident | 80.9 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 8% | 0.082 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T26 V27 I28 I33 W34 | T26-G30 PolarHBondContact O-N 3.02Å; V27-G30 PolarHBondContact O-N 3.25Å; I28-G30 VanDerWaalsContact C-N 3.31Å; I28-G30 PolarHBondContact O-N 3.19Å; G30-I33 PolarHBondContact O-N 2.92Å; G30-W34 PolarHBondContact O-N 3.46Å |
| 31 | I | 83.3 | Confident | 78.9 | Confident | 94 Ų | 94 | 67.9 Ų | 67.9 | 48% | 0.482 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 171.4 | -66.2 | 163.9 | 0 | 0 | 0 | 110.4 | V27 I28 G29 I33 G35 | V27-I31 HydrophobicContact CG1-CD1 3.96Å; V27-I31 VanDerWaalsContact O-CG1 3.28Å; V27-I31 WeakPolarHBondContact O-CG1 3.05Å; V27-I31 PolarHBondContact O-N 2.96Å; I28-I31 WeakPolarHBondContact O-CB 3.4Å; I28-I31 PolarHBondContact O-N 3.47Å; G29-I31 VanDerWaalsContact C-N 3.34Å; G29-I31 PolarHBondContact O-N 3.35Å; I31-I33 VanDerWaalsContact C-N 3.3Å; I31-I33 PolarHBondContact O-N 3.16Å; I31-G35 WeakPolarHBondContact O-CA 3.4Å; I31-G35 PolarHBondContact O-N 3.27Å |
| 32 | Y | 76.7 | Confident | 77.2 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67 | -28.3 | 175.3 | -79.4 | -71.2 | 0 | 0 | 0 | 113.7 | I28 G29 F68 | I28-Y32 HydrophobicContact CG2-CD2 3.84Å; I28-Y32 HydrophobicContact CG2-CE2 3.54Å; I28-Y32 WeakPolarHBondContact O-CD2 3.26Å; I28-Y32 PolarHBondContact O-N 2.9Å; G29-Y32 PolarHBondContact O-N 3.5Å; G29-Y32 VanDerWaalsContact O-N 3.13Å; Y32-F68 HydrophobicContact CD1-CE2 4.21Å; Y32-F68 WeakPolarHBondContact O-CE1 3.49Å; Y32-F68 WeakPolarHBondContact O-CZ 3.41Å |
| 33 | I | 79.7 | Confident | 75.3 | Confident | 32 Ų | 32 | 68 Ų | 68 | 16% | 0.164 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -85.7 | -53.7 | -179.5 | -61 | 159.7 | 0 | 0 | 0 | 111.3 | G29 G30 I31 V76 F79 | G29-I33 WeakPolarHBondContact O-CG1 3.42Å; G29-I33 PolarHBondContact O-N 2.98Å; G29-I33 VanDerWaalsContact O-N 3.07Å; G30-I33 PolarHBondContact O-N 2.92Å; I31-I33 VanDerWaalsContact C-N 3.3Å; I31-I33 PolarHBondContact O-N 3.16Å; I33-V76 HydrophobicContact CD1-CB 4.34Å; I33-V76 HydrophobicContact CD1-CG2 4Å; I33-V76 HydrophobicContact CG1-CG2 3.89Å; I33-F79 HydrophobicContact CD1-CB 3.43Å; I33-F79 VanDerWaalsContact CD1-CB 3.43Å; I33-F79 HydrophobicContact CD1-CD1 4.12Å; I33-F79 HydrophobicContact CD1-CD2 4.47Å; I33-F79 HydrophobicContact CD1-CG 3.77Å |
| 34 | W | 79.1 | Confident | 73.5 | Confident | 177 Ų | 177 | 69.6 Ų | 69.6 | 67% | 0.67 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -98.6 | -11.9 | -172.9 | -61 | -48.1 | 0 | 0 | 0 | 113.4 | G30 E36 F79 | G30-W34 PolarHBondContact O-N 3.46Å; W34-E36 PolarHBondContact O-N 3.29Å; W34-F79 HydrophobicContact CH2-CE1 4.19Å; W34-F79 HydrophobicContact CH2-CE2 4.08Å; W34-F79 AromaticContact CH2-CZ 3.66Å; W34-F79 HydrophobicContact CH2-CZ 3.66Å; W34-F79 AromaticContact CZ3-CE2 3.95Å; W34-F79 HydrophobicContact CZ3-CE2 3.95Å; W34-F79 HydrophobicContact CZ3-CZ 4.01Å |
| 35 | G | 68 | Low | 71.8 | Confident | 5 Ų | 5 | 71.2 Ų | 71.2 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 0.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I31 K37 S38 L39 | I31-G35 WeakPolarHBondContact O-CA 3.4Å; I31-G35 PolarHBondContact O-N 3.27Å; G35-K37 PolarHBondContact O-N 2.92Å; G35-K37 VanDerWaalsContact O-N 3.08Å; G35-S38 PolarHBondContact O-N 3.4Å; G35-L39 WeakPolarHBondContact O-CA 3.32Å; G35-L39 WeakPolarHBondContact O-CB 3.34Å; G35-L39 PolarHBondContact O-N 3.02Å |
| 36 | E | 63.3 | Low | 70.4 | Confident | 100 Ų | 100 | 75.8 Ų | 75.8 | 47% | 0.467 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -46.1 | -43.4 | 171.4 | -165.9 | -171.6 | 163.4 | 0 | 0 | 111.1 | W34 H40 F68 | W34-E36 PolarHBondContact O-N 3.29Å; E36-H40 WeakPolarHBondContact O-CB 3.29Å; E36-H40 PolarHBondContact O-N 2.9Å; E36-H40 VanDerWaalsContact O-N 3.12Å; E36-F68 HydrophobicContact CB-CE1 4.23Å |
| 37 | K | 59.1 | Low | 68.7 | Low | 180 Ų | 180 | 78.7 Ų | 78.7 | 78% | 0.783 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -76.3 | -31.6 | 177.3 | -66.2 | -177.9 | -179.4 | 178.5 | 0 | 114.6 | G35 | G35-K37 PolarHBondContact O-N 2.92Å; G35-K37 VanDerWaalsContact O-N 3.08Å |
| 38 | S | 58.3 | Low | 67.2 | Low | 80 Ų | 80 | 74.4 Ų | 74.4 | 56% | 0.559 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -86.6 | -43.8 | -174.7 | -170.9 | 0 | 0 | 0 | 0 | 112.3 | G35 T42 | G35-S38 PolarHBondContact O-N 3.4Å; S38-T42 PolarHBondContact O-N 3Å; S38-T42 VanDerWaalsContact O-N 3.12Å; S38-T42 PolarHBondContact O-OG1 3.2Å |
| 39 | L | 56.5 | Low | 66 | Low | 49 Ų | 49 | 75.2 Ų | 75.2 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.5 | -40.1 | 174.6 | -165.6 | 64.7 | 0 | 0 | 0 | 110.4 | G35 N41 T42 L43 F64 F68 | G35-L39 WeakPolarHBondContact O-CA 3.32Å; G35-L39 WeakPolarHBondContact O-CB 3.34Å; G35-L39 PolarHBondContact O-N 3.02Å; L39-N41 VanDerWaalsContact C-N 3.31Å; L39-N41 PolarHBondContact O-N 3.4Å; L39-T42 PolarHBondContact O-N 3.45Å; L39-L43 HydrophobicContact CD1-CD1 4Å; L39-L43 HydrophobicContact CG-CD1 4.22Å; L39-L43 VanDerWaalsContact O-CB 3.23Å; L39-L43 WeakPolarHBondContact O-CB 3.38Å; L39-L43 PolarHBondContact O-N 2.88Å; L39-F64 HydrophobicContact CD2-CE2 4.17Å; L39-F64 HydrophobicContact CD2-CZ 3.54Å; L39-F64 HydrophobicContact CG-CZ 3.79Å; L39-F68 HydrophobicContact CD2-CD2 4.04Å; L39-F68 HydrophobicContact CD2-CE2 3.54Å; L39-F68 HydrophobicContact CD2-CZ 4.32Å |
| 40 | H | 56.8 | Low | 64.9 | Low | 54 Ų | 54 | 78.5 Ų | 78.5 | 25% | 0.25 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.3 | -45 | 175 | -175 | -82.2 | 0 | 0 | 0 | 111.8 | E36 H44 F65 | E36-H40 WeakPolarHBondContact O-CB 3.29Å; E36-H40 PolarHBondContact O-N 2.9Å; E36-H40 VanDerWaalsContact O-N 3.12Å; H40-H44 AromaticContact CE1-CD2 3.31Å; H40-H44 PolarHBondContact CE1-CD2 3.21Å; H40-H44 AromaticContact CE1-NE2 3.59Å; H40-H44 AromaticContact ND1-CD2 3.75Å; H40-H44 AromaticContact NE2-CD2 3.63Å; H40-H44 AromaticContact NE2-NE2 3.75Å; H40-H44 WeakPolarHBondContact O-CB 3.46Å; H40-H44 PolarHBondContact O-N 3.47Å; H40-F65 AromaticContact CD2-CE1 3.74Å; H40-F65 AromaticContact CD2-CZ 3.26Å; H40-F65 WeakPolarHBondContact CD2-CZ 3.33Å; H40-F65 AromaticContact NE2-CE2 4Å; H40-F65 AromaticContact NE2-CZ 3.34Å; H40-F65 VanDerWaalsContact NE2-CZ 3.34Å; H40-F65 WeakPolarHBondContact NE2-CZ 3.29Å |
| 41 | N | 56.6 | Low | 63.7 | Low | 106 Ų | 106 | 80.2 Ų | 80.2 | 57% | 0.567 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69.3 | -44.1 | 179.1 | -74 | -6.2 | 0 | 0 | 0 | 112.5 | L39 H44 T45 | L39-N41 VanDerWaalsContact C-N 3.31Å; L39-N41 PolarHBondContact O-N 3.4Å; N41-H44 PolarHBondContact O-N 3.45Å; N41-T45 WeakPolarHBondContact O-CG2 3.39Å; N41-T45 PolarHBondContact O-N 2.95Å; N41-T45 VanDerWaalsContact O-N 3.09Å; N41-T45 PolarHBondContact O-OG1 3.45Å |
| 42 | T | 58.5 | Low | 62.6 | Low | 67 Ų | 67 | 81.6 Ų | 81.6 | 41% | 0.411 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | -178.7 | -52.5 | 0 | 0 | 0 | 0 | 111.1 | S38 L39 T45 F46 | S38-T42 PolarHBondContact O-N 3Å; S38-T42 VanDerWaalsContact O-N 3.12Å; S38-T42 PolarHBondContact O-OG1 3.2Å; L39-T42 PolarHBondContact O-N 3.45Å; T42-T45 PolarHBondContact O-N 3.42Å; T42-T45 PolarHBondContact O-OG1 2.84Å; T42-F46 HydrophobicContact CG2-CD2 3.74Å; T42-F46 HydrophobicContact CG2-CE2 3.86Å; T42-F46 WeakPolarHBondContact O-CD2 3.32Å; T42-F46 PolarHBondContact O-N 3.26Å |
| 43 | L | 56.6 | Low | 61.9 | Low | 40 Ų | 40 | 79.6 Ų | 79.6 | 21% | 0.209 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -73.7 | -33.7 | 179.8 | -133.6 | 115.7 | 0 | 0 | 0 | 111.9 | L39 T45 F46 I47 V48 F64 | L39-L43 HydrophobicContact CD1-CD1 4Å; L39-L43 HydrophobicContact CG-CD1 4.22Å; L39-L43 VanDerWaalsContact O-CB 3.23Å; L39-L43 WeakPolarHBondContact O-CB 3.38Å; L39-L43 PolarHBondContact O-N 2.88Å; L43-T45 VanDerWaalsContact C-N 3.33Å; L43-T45 PolarHBondContact O-N 3.33Å; L43-F46 PolarHBondContact O-N 3.44Å; L43-I47 HydrophobicContact CD1-CD1 4.48Å; L43-I47 HydrophobicContact CD2-CD1 3.78Å; L43-I47 HydrophobicContact CD2-CG1 4.41Å; L43-I47 HydrophobicContact CG-CD1 3.82Å; L43-I47 HydrophobicContact CG-CG1 4.25Å; L43-I47 WeakPolarHBondContact O-CB 3.44Å; L43-I47 PolarHBondContact O-N 3.31Å; L43-V48 PolarHBondContact O-N 2.78Å; L43-F64 HydrophobicContact CD1-CD2 4.5Å; L43-F64 HydrophobicContact CD1-CE2 3.81Å; L43-F64 HydrophobicContact CD1-CZ 4.26Å; L43-F64 HydrophobicContact CD2-CD2 3.64Å; L43-F64 HydrophobicContact CD2-CE2 3.75Å; L43-F64 HydrophobicContact CD2-CG 4.16Å; L43-F64 HydrophobicContact CD2-CZ 4.36Å; L43-F64 HydrophobicContact CG-CE2 4.35Å |
| 44 | H | 58.2 | Low | 61.1 | Low | 50 Ų | 50 | 84.2 Ų | 84.2 | 23% | 0.231 | 45% | 0.453 | C | S | . | . | I | π-helix | trans | -58.4 | -47.4 | 171.3 | -113.4 | -94.4 | 0 | 0 | 0 | 111.1 | H40 N41 V48 D49 | H40-H44 AromaticContact CE1-CD2 3.31Å; H40-H44 PolarHBondContact CE1-CD2 3.21Å; H40-H44 AromaticContact CE1-NE2 3.59Å; H40-H44 AromaticContact ND1-CD2 3.75Å; H40-H44 AromaticContact NE2-CD2 3.63Å; H40-H44 AromaticContact NE2-NE2 3.75Å; H40-H44 WeakPolarHBondContact O-CB 3.46Å; H40-H44 PolarHBondContact O-N 3.47Å; N41-H44 PolarHBondContact O-N 3.45Å; H44-V48 CarbonylContact O-C 3.59Å; H44-V48 WeakPolarHBondContact O-CB 3.37Å; H44-V48 PolarHBondContact O-N 3.32Å; H44-D49 PolarHBondContact O-N 2.82Å |
| 45 | T | 58.3 | Low | 60.1 | Low | 85 Ų | 85 | 81.6 Ų | 81.6 | 52% | 0.521 | 46% | 0.457 | S | S | . | . | I | π-helix | trans | -69 | -36.5 | -178.1 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | N41 T42 L43 | N41-T45 WeakPolarHBondContact O-CG2 3.39Å; N41-T45 PolarHBondContact O-N 2.95Å; N41-T45 VanDerWaalsContact O-N 3.09Å; N41-T45 PolarHBondContact O-OG1 3.45Å; T42-T45 PolarHBondContact O-N 3.42Å; T42-T45 PolarHBondContact O-OG1 2.84Å; L43-T45 VanDerWaalsContact C-N 3.33Å; L43-T45 PolarHBondContact O-N 3.33Å |
| 46 | F | 61.4 | Low | 59.7 | Low | 166 Ų | 166 | 85.7 Ų | 85.7 | 73% | 0.728 | 48% | 0.477 | S | S | * | . | I | π-helix | trans | -90.1 | -36.4 | -174.9 | -77.2 | -67.1 | 0 | 0 | 0 | 114.4 | T42 L43 | T42-F46 HydrophobicContact CG2-CD2 3.74Å; T42-F46 HydrophobicContact CG2-CE2 3.86Å; T42-F46 WeakPolarHBondContact O-CD2 3.32Å; T42-F46 PolarHBondContact O-N 3.26Å; L43-F46 PolarHBondContact O-N 3.44Å |
| 47 | I | 59.5 | Low | 59.6 | Low | 76 Ų | 76 | 83.4 Ų | 83.4 | 39% | 0.39 | 47% | 0.465 | S | S | . | . | I | π-helix | trans | -107.5 | -43.1 | -173.4 | -57.2 | -171 | 0 | 0 | 0 | 111.1 | L43 I51 I60 | L43-I47 HydrophobicContact CD1-CD1 4.48Å; L43-I47 HydrophobicContact CD2-CD1 3.78Å; L43-I47 HydrophobicContact CD2-CG1 4.41Å; L43-I47 HydrophobicContact CG-CD1 3.82Å; L43-I47 HydrophobicContact CG-CG1 4.25Å; L43-I47 WeakPolarHBondContact O-CB 3.44Å; L43-I47 PolarHBondContact O-N 3.31Å; I47-I51 HydrophobicContact CG2-CD1 4.37Å; I47-I51 VanDerWaalsContact O-CD1 3.3Å; I47-I51 WeakPolarHBondContact O-CD1 3.35Å; I47-I51 WeakPolarHBondContact O-CG1 3.44Å; I47-I60 HydrophobicContact CG2-CG2 4.24Å |
| 48 | V | 59.1 | Low | 59.6 | Low | 4 Ų | 4 | 81.7 Ų | 81.7 | 2% | 0.024 | 46% | 0.458 | C | S | . | . | I | π-helix | trans | -86.5 | -27.8 | -166.4 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | L43 H44 K57 | L43-V48 PolarHBondContact O-N 2.78Å; H44-V48 CarbonylContact O-C 3.59Å; H44-V48 WeakPolarHBondContact O-CB 3.37Å; H44-V48 PolarHBondContact O-N 3.32Å; V48-K57 HydrophobicContact CB-CG 4.49Å; V48-K57 HydrophobicContact CG1-CB 4.45Å; V48-K57 HydrophobicContact CG1-CD 3.92Å; V48-K57 HydrophobicContact CG1-CG 3.18Å; V48-K57 PolarHBondContact O-NZ 2.87Å |
| 49 | D | 62.8 | Low | 59.8 | Low | 104 Ų | 104 | 79.7 Ų | 79.7 | 56% | 0.556 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -86.5 | -14.7 | 174.6 | -75 | -11.5 | 0 | 0 | 0 | 113.5 | H44 I51 K57 | H44-D49 PolarHBondContact O-N 2.82Å; D49-I51 VanDerWaalsContact C-N 3.28Å; D49-I51 PolarHBondContact O-N 3.4Å; D49-K57 IonicContact OD1-NZ 2.74Å; D49-K57 PolarHBondContact OD1-NZ 3.26Å |
| 50 | G | 62.6 | Low | 60 | Low | 69 Ų | 69 | 79.7 Ų | 79.7 | 71% | 0.711 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -77.3 | -8.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 51 | I | 63.3 | Low | 60.3 | Low | 44 Ų | 44 | 78.3 Ų | 78.3 | 23% | 0.226 | 45% | 0.445 | C | S | . | . | trans | -109 | 114.9 | -173.6 | -63.2 | 171.3 | 0 | 0 | 0 | 109.7 | I47 D49 T53 I56 I60 | I47-I51 HydrophobicContact CG2-CD1 4.37Å; I47-I51 VanDerWaalsContact O-CD1 3.3Å; I47-I51 WeakPolarHBondContact O-CD1 3.35Å; I47-I51 WeakPolarHBondContact O-CG1 3.44Å; D49-I51 VanDerWaalsContact C-N 3.28Å; D49-I51 PolarHBondContact O-N 3.4Å; I51-T53 VanDerWaalsContact C-N 3.34Å; I51-T53 PolarHBondContact O-N 3.1Å; I51-I56 HydrophobicContact CD1-CG2 4.15Å; I51-I56 HydrophobicContact CG2-CB 3.75Å; I51-I56 HydrophobicContact CG2-CG2 3.7Å; I51-I60 HydrophobicContact CD1-CD1 3.21Å | ||
| 52 | S | 60.5 | Low | 60.6 | Low | 122 Ų | 122 | 80 Ų | 80 | 85% | 0.853 | 45% | 0.447 | S | S | * | . | trans | -73.8 | -21.2 | -175.8 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 53 | T | 62.2 | Low | 60.9 | Low | 62 Ų | 62 | 80.3 Ų | 80.3 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | trans | -93.6 | 114.7 | -174.3 | 54.3 | 0 | 0 | 0 | 0 | 111.3 | I51 T55 I56 K57 | I51-T53 VanDerWaalsContact C-N 3.34Å; I51-T53 PolarHBondContact O-N 3.1Å; T53-T55 PolarHBondContact O-N 3.48Å; T53-T55 VanDerWaalsContact O-N 3.12Å; T53-I56 PolarHBondContact O-N 2.95Å; T53-I56 WeakPolarHBondContact OG1-CB 3.42Å; T53-I56 WeakPolarHBondContact OG1-CD1 3.37Å; T53-I56 WeakPolarHBondContact OG1-CG1 3.37Å; T53-K57 PolarHBondContact O-N 3.37Å | ||
| 54 | L | 61.7 | Low | 61.4 | Low | 129 Ų | 129 | 80.6 Ų | 80.6 | 68% | 0.675 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -54.2 | -32.8 | -179.4 | -77.9 | 162.5 | 0 | 0 | 0 | 113.6 | K58 | L54-K58 PolarHBondContact O-N 2.76Å |
| 55 | T | 58.3 | Low | 61.8 | Low | 122 Ų | 122 | 81.7 Ų | 81.7 | 75% | 0.748 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.7 | -43.8 | 178.7 | -42.3 | 0 | 0 | 0 | 0 | 111.5 | T53 G59 | T53-T55 PolarHBondContact O-N 3.48Å; T53-T55 VanDerWaalsContact O-N 3.12Å; T55-G59 PolarHBondContact O-N 2.96Å |
| 56 | I | 59.9 | Low | 62.1 | Low | 90 Ų | 90 | 80.1 Ų | 80.1 | 46% | 0.462 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.9 | -40.9 | 177 | -58.2 | -174.8 | 0 | 0 | 0 | 109.6 | I51 T53 K58 G59 I60 | I51-I56 HydrophobicContact CD1-CG2 4.15Å; I51-I56 HydrophobicContact CG2-CB 3.75Å; I51-I56 HydrophobicContact CG2-CG2 3.7Å; T53-I56 PolarHBondContact O-N 2.95Å; T53-I56 WeakPolarHBondContact OG1-CB 3.42Å; T53-I56 WeakPolarHBondContact OG1-CD1 3.37Å; T53-I56 WeakPolarHBondContact OG1-CG1 3.37Å; I56-K58 PolarHBondContact O-N 2.96Å; I56-G59 PolarHBondContact O-N 3.28Å; I56-I60 HydrophobicContact CG2-CD1 3.53Å; I56-I60 HydrophobicContact CG2-CG1 4.09Å; I56-I60 WeakPolarHBondContact O-CG1 3.31Å; I56-I60 PolarHBondContact O-N 2.89Å |
| 57 | K | 60.7 | Low | 62.3 | Low | 52 Ų | 52 | 73.9 Ų | 73.9 | 23% | 0.226 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -51.2 | -56.1 | 174 | -158.7 | -173.7 | -179.9 | 92.3 | 0 | 110.6 | V48 D49 T53 G59 I60 T61 | V48-K57 HydrophobicContact CB-CG 4.49Å; V48-K57 HydrophobicContact CG1-CB 4.45Å; V48-K57 HydrophobicContact CG1-CD 3.92Å; V48-K57 HydrophobicContact CG1-CG 3.18Å; V48-K57 PolarHBondContact O-NZ 2.87Å; D49-K57 IonicContact OD1-NZ 2.74Å; D49-K57 PolarHBondContact OD1-NZ 3.26Å; T53-K57 PolarHBondContact O-N 3.37Å; K57-G59 PolarHBondContact O-N 3.07Å; K57-I60 PolarHBondContact O-N 2.93Å; K57-T61 PolarHBondContact O-N 3.35Å; K57-T61 VanDerWaalsContact O-N 3.07Å; K57-T61 PolarHBondContact O-OG1 2.96Å |
| 58 | K | 59.7 | Low | 62.7 | Low | 145 Ų | 145 | 71 Ų | 71 | 63% | 0.63 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.2 | -37.5 | 179 | -75.4 | -176.3 | 178.7 | -179 | 0 | 113.3 | L54 I56 K62 | L54-K58 PolarHBondContact O-N 2.76Å; I56-K58 PolarHBondContact O-N 2.96Å; K58-K62 WeakPolarHBondContact O-CB 3.36Å; K58-K62 WeakPolarHBondContact O-CG 3.16Å; K58-K62 PolarHBondContact O-N 3.07Å; K58-K62 VanDerWaalsContact O-N 3.14Å |
| 59 | G | 61.5 | Low | 63.2 | Low | 38 Ų | 38 | 76.7 Ų | 76.7 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | T55 I56 K57 K62 L63 | T55-G59 PolarHBondContact O-N 2.96Å; I56-G59 PolarHBondContact O-N 3.28Å; K57-G59 PolarHBondContact O-N 3.07Å; G59-K62 PolarHBondContact O-N 3.19Å; G59-L63 WeakPolarHBondContact O-CB 3.14Å; G59-L63 PolarHBondContact O-N 2.94Å |
| 60 | I | 62.5 | Low | 63.3 | Low | 49 Ų | 49 | 76.2 Ų | 76.2 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | -179.8 | -68.4 | 172.8 | 0 | 0 | 0 | 111.1 | I47 I51 I56 K57 K62 L63 F64 | I47-I60 HydrophobicContact CG2-CG2 4.24Å; I51-I60 HydrophobicContact CD1-CD1 3.21Å; I56-I60 HydrophobicContact CG2-CD1 3.53Å; I56-I60 HydrophobicContact CG2-CG1 4.09Å; I56-I60 WeakPolarHBondContact O-CG1 3.31Å; I56-I60 PolarHBondContact O-N 2.89Å; K57-I60 PolarHBondContact O-N 2.93Å; I60-K62 VanDerWaalsContact C-N 3.31Å; I60-K62 PolarHBondContact O-N 2.9Å; I60-L63 PolarHBondContact O-N 3.03Å; I60-F64 VanDerWaalsContact O-CB 3.28Å; I60-F64 WeakPolarHBondContact O-CB 3.28Å; I60-F64 PolarHBondContact O-N 3.37Å |
| 61 | T | 61.8 | Low | 63.7 | Low | 24 Ų | 24 | 75.9 Ų | 75.9 | 15% | 0.147 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 178.3 | -38.4 | 0 | 0 | 0 | 0 | 110.6 | K57 F64 F65 | K57-T61 PolarHBondContact O-N 3.35Å; K57-T61 VanDerWaalsContact O-N 3.07Å; K57-T61 PolarHBondContact O-OG1 2.96Å; T61-F64 PolarHBondContact O-N 3.05Å; T61-F65 HydrophobicContact CG2-CD2 3.86Å; T61-F65 HydrophobicContact CG2-CE2 3.42Å; T61-F65 VanDerWaalsContact CG2-CE2 3.42Å; T61-F65 HydrophobicContact CG2-CZ 4.38Å; T61-F65 WeakPolarHBondContact O-CD2 3.27Å; T61-F65 PolarHBondContact O-N 3.25Å |
| 62 | K | 64.3 | Low | 64 | Low | 142 Ų | 142 | 76.6 Ų | 76.6 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.7 | -46.8 | 176.1 | -76.3 | -178.3 | 178.8 | -171.8 | 0 | 112.6 | K58 G59 I60 F64 F65 N66 | K58-K62 WeakPolarHBondContact O-CB 3.36Å; K58-K62 WeakPolarHBondContact O-CG 3.16Å; K58-K62 PolarHBondContact O-N 3.07Å; K58-K62 VanDerWaalsContact O-N 3.14Å; G59-K62 PolarHBondContact O-N 3.19Å; I60-K62 VanDerWaalsContact C-N 3.31Å; I60-K62 PolarHBondContact O-N 2.9Å; K62-F64 VanDerWaalsContact C-N 3.29Å; K62-F64 PolarHBondContact O-N 3.4Å; K62-F65 PolarHBondContact O-N 3Å; K62-N66 PolarHBondContact O-N 3.48Å; K62-N66 PolarHBondContact O-ND2 3.3Å |
| 63 | L | 64 | Low | 64.8 | Low | 73 Ų | 73 | 74.7 Ų | 74.7 | 38% | 0.382 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 178.9 | -177.9 | 67.5 | 0 | 0 | 0 | 110.5 | G59 I60 F65 N66 V67 | G59-L63 WeakPolarHBondContact O-CB 3.14Å; G59-L63 PolarHBondContact O-N 2.94Å; I60-L63 PolarHBondContact O-N 3.03Å; L63-F65 PolarHBondContact O-N 2.82Å; L63-N66 PolarHBondContact O-N 2.84Å; L63-V67 HydrophobicContact CD1-CG2 4.22Å; L63-V67 HydrophobicContact CG-CG2 4.3Å; L63-V67 WeakPolarHBondContact O-CB 3.3Å; L63-V67 VanDerWaalsContact O-CG2 3.23Å; L63-V67 WeakPolarHBondContact O-CG2 3.3Å; L63-V67 PolarHBondContact O-N 3.46Å |
| 64 | F | 67.4 | Low | 65.6 | Low | 47 Ų | 47 | 76.9 Ų | 76.9 | 21% | 0.206 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.7 | -47.3 | 177.7 | 179 | -94 | 0 | 0 | 0 | 112.3 | L39 L43 I60 T61 K62 N66 V67 F68 | L39-F64 HydrophobicContact CD2-CE2 4.17Å; L39-F64 HydrophobicContact CD2-CZ 3.54Å; L39-F64 HydrophobicContact CG-CZ 3.79Å; L43-F64 HydrophobicContact CD1-CD2 4.5Å; L43-F64 HydrophobicContact CD1-CE2 3.81Å; L43-F64 HydrophobicContact CD1-CZ 4.26Å; L43-F64 HydrophobicContact CD2-CD2 3.64Å; L43-F64 HydrophobicContact CD2-CE2 3.75Å; L43-F64 HydrophobicContact CD2-CG 4.16Å; L43-F64 HydrophobicContact CD2-CZ 4.36Å; L43-F64 HydrophobicContact CG-CE2 4.35Å; I60-F64 VanDerWaalsContact O-CB 3.28Å; I60-F64 WeakPolarHBondContact O-CB 3.28Å; I60-F64 PolarHBondContact O-N 3.37Å; T61-F64 PolarHBondContact O-N 3.05Å; K62-F64 VanDerWaalsContact C-N 3.29Å; K62-F64 PolarHBondContact O-N 3.4Å; F64-N66 PolarHBondContact O-N 3.12Å; F64-V67 PolarHBondContact O-N 3.47Å; F64-F68 HydrophobicContact CE1-CB 4.5Å; F64-F68 HydrophobicContact CZ-CD2 4.23Å; F64-F68 VanDerWaalsContact O-CB 3.24Å; F64-F68 WeakPolarHBondContact O-CB 3.44Å; F64-F68 PolarHBondContact O-N 3.19Å |
| 65 | F | 66.4 | Low | 66.6 | Low | 73 Ų | 73 | 70.8 Ų | 70.8 | 32% | 0.32 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 177.2 | -80.1 | -61.9 | 0 | 0 | 0 | 112.2 | H40 T61 K62 L63 F68 E69 | H40-F65 AromaticContact CD2-CE1 3.74Å; H40-F65 AromaticContact CD2-CZ 3.26Å; H40-F65 WeakPolarHBondContact CD2-CZ 3.33Å; H40-F65 AromaticContact NE2-CE2 4Å; H40-F65 AromaticContact NE2-CZ 3.34Å; H40-F65 VanDerWaalsContact NE2-CZ 3.34Å; H40-F65 WeakPolarHBondContact NE2-CZ 3.29Å; T61-F65 HydrophobicContact CG2-CD2 3.86Å; T61-F65 HydrophobicContact CG2-CE2 3.42Å; T61-F65 VanDerWaalsContact CG2-CE2 3.42Å; T61-F65 HydrophobicContact CG2-CZ 4.38Å; T61-F65 WeakPolarHBondContact O-CD2 3.27Å; T61-F65 PolarHBondContact O-N 3.25Å; K62-F65 PolarHBondContact O-N 3Å; L63-F65 PolarHBondContact O-N 2.82Å; F65-F68 PolarHBondContact O-N 3.09Å; F65-E69 VanDerWaalsContact O-CB 3.3Å; F65-E69 WeakPolarHBondContact O-CB 3.28Å; F65-E69 PolarHBondContact O-N 3.47Å |
| 66 | N | 65.4 | Low | 68 | Low | 51 Ų | 51 | 68.2 Ų | 68.2 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | -179.6 | -66.2 | -60.6 | 0 | 0 | 0 | 112 | K62 L63 F64 F68 E70 P153 | K62-N66 PolarHBondContact O-N 3.48Å; K62-N66 PolarHBondContact O-ND2 3.3Å; L63-N66 PolarHBondContact O-N 2.84Å; F64-N66 PolarHBondContact O-N 3.12Å; N66-F68 VanDerWaalsContact C-N 3.35Å; N66-E70 WeakPolarHBondContact O-CG 3.48Å; N66-E70 PolarHBondContact O-N 2.96Å; N66-P153 HydrophobicContact CB-CB 3.92Å; N66-P153 WeakPolarHBondContact CB-O 3.47Å; N66-P153 WeakPolarHBondContact ND2-CB 3.49Å |
| 67 | V | 65.6 | Low | 69.3 | Low | 36 Ų | 36 | 72 Ų | 72 | 22% | 0.218 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 174.8 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | L63 F64 I71 | L63-V67 HydrophobicContact CD1-CG2 4.22Å; L63-V67 HydrophobicContact CG-CG2 4.3Å; L63-V67 WeakPolarHBondContact O-CB 3.3Å; L63-V67 VanDerWaalsContact O-CG2 3.23Å; L63-V67 WeakPolarHBondContact O-CG2 3.3Å; L63-V67 PolarHBondContact O-N 3.46Å; F64-V67 PolarHBondContact O-N 3.47Å; V67-I71 HydrophobicContact CG1-CD1 3.52Å; V67-I71 HydrophobicContact CG1-CG1 4.45Å; V67-I71 WeakPolarHBondContact O-CB 3.44Å; V67-I71 WeakPolarHBondContact O-CD1 3.44Å; V67-I71 WeakPolarHBondContact O-CG1 3.44Å; V67-I71 PolarHBondContact O-N 3.27Å |
| 68 | F | 67.9 | Low | 70.6 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 7% | 0.07 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.3 | -44.2 | -179.5 | -163.9 | -97.7 | 0 | 0 | 0 | 111.8 | Y32 E36 L39 F64 F65 N66 E70 I71 Q72 | Y32-F68 HydrophobicContact CD1-CE2 4.21Å; Y32-F68 WeakPolarHBondContact O-CE1 3.49Å; Y32-F68 WeakPolarHBondContact O-CZ 3.41Å; E36-F68 HydrophobicContact CB-CE1 4.23Å; L39-F68 HydrophobicContact CD2-CD2 4.04Å; L39-F68 HydrophobicContact CD2-CE2 3.54Å; L39-F68 HydrophobicContact CD2-CZ 4.32Å; F64-F68 HydrophobicContact CE1-CB 4.5Å; F64-F68 HydrophobicContact CZ-CD2 4.23Å; F64-F68 VanDerWaalsContact O-CB 3.24Å; F64-F68 WeakPolarHBondContact O-CB 3.44Å; F64-F68 PolarHBondContact O-N 3.19Å; F65-F68 PolarHBondContact O-N 3.09Å; N66-F68 VanDerWaalsContact C-N 3.35Å; F68-E70 VanDerWaalsContact C-N 3.26Å; F68-E70 PolarHBondContact O-N 3.3Å; F68-I71 CarbonylContact O-C 3.59Å; F68-I71 PolarHBondContact O-N 2.93Å; F68-I71 VanDerWaalsContact O-N 3.09Å; F68-Q72 HydrophobicContact CD1-CG 4Å; F68-Q72 HydrophobicContact CE1-CG 4.04Å; F68-Q72 WeakPolarHBondContact O-CG 3.34Å; F68-Q72 PolarHBondContact O-N 3.24Å |
| 69 | E | 67.9 | Low | 72.2 | Confident | 123 Ų | 123 | 67.5 Ų | 67.5 | 58% | 0.575 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.1 | -38.5 | 177.1 | -171.5 | 172 | -178.5 | 0 | 0 | 111.8 | F65 Q72 | F65-E69 VanDerWaalsContact O-CB 3.3Å; F65-E69 WeakPolarHBondContact O-CB 3.28Å; F65-E69 PolarHBondContact O-N 3.47Å; E69-Q72 WeakPolarHBondContact O-CB 3.38Å |
| 70 | E | 65.9 | Low | 73.7 | Confident | 94 Ų | 94 | 69 Ų | 69 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -78.6 | -24.9 | 177 | -68.8 | -71 | 169.4 | 0 | 0 | 113.3 | N66 F68 P73 I155 | N66-E70 WeakPolarHBondContact O-CG 3.48Å; N66-E70 PolarHBondContact O-N 2.96Å; F68-E70 VanDerWaalsContact C-N 3.26Å; F68-E70 PolarHBondContact O-N 3.3Å; E70-P73 VanDerWaalsContact O-CD 3.32Å; E70-P73 WeakPolarHBondContact O-CD 3.24Å; E70-P73 VanDerWaalsContact O-CG 3.28Å; E70-P73 WeakPolarHBondContact O-CG 3.14Å; E70-I155 HydrophobicContact CB-CB 3.89Å; E70-I155 HydrophobicContact CB-CG1 4.17Å; E70-I155 HydrophobicContact CB-CG2 3.88Å; E70-I155 HydrophobicContact CG-CB 3.85Å; E70-I155 HydrophobicContact CG-CG2 3.61Å |
| 71 | I | 69.9 | Low | 75.1 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -84.5 | -22.5 | 174.3 | -66.2 | 168.4 | 0 | 0 | 0 | 112 | V67 F68 P73 L74 G75 | V67-I71 HydrophobicContact CG1-CD1 3.52Å; V67-I71 HydrophobicContact CG1-CG1 4.45Å; V67-I71 WeakPolarHBondContact O-CB 3.44Å; V67-I71 WeakPolarHBondContact O-CD1 3.44Å; V67-I71 WeakPolarHBondContact O-CG1 3.44Å; V67-I71 PolarHBondContact O-N 3.27Å; F68-I71 CarbonylContact O-C 3.59Å; F68-I71 PolarHBondContact O-N 2.93Å; F68-I71 VanDerWaalsContact O-N 3.09Å; I71-P73 VanDerWaalsContact C-CD 3.44Å; I71-P73 VanDerWaalsContact C-N 3.34Å; I71-L74 WeakPolarHBondContact O-CA 3.15Å; I71-L74 VanDerWaalsContact O-CB 3.3Å; I71-L74 WeakPolarHBondContact O-CB 3.3Å; I71-L74 PolarHBondContact O-N 3.35Å; I71-G75 PolarHBondContact O-N 3.1Å; I71-G75 VanDerWaalsContact O-N 3.08Å |
| 72 | Q | 70.7 | Confident | 76.7 | Confident | 59 Ų | 59 | 67.4 Ų | 67.4 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -46.4 | -45.1 | 177.3 | -85.5 | -175.2 | -31.9 | 0 | 0 | 114.5 | F68 E69 L74 G75 V76 | F68-Q72 HydrophobicContact CD1-CG 4Å; F68-Q72 HydrophobicContact CE1-CG 4.04Å; F68-Q72 WeakPolarHBondContact O-CG 3.34Å; F68-Q72 PolarHBondContact O-N 3.24Å; E69-Q72 WeakPolarHBondContact O-CB 3.38Å; Q72-L74 VanDerWaalsContact C-N 3.27Å; Q72-L74 PolarHBondContact O-N 2.96Å; Q72-G75 WeakPolarHBondContact O-CA 3.32Å; Q72-G75 PolarHBondContact O-N 2.85Å; Q72-V76 PolarHBondContact O-N 3.25Å |
| 73 | P | 77.7 | Confident | 78.2 | Confident | 82 Ų | 82 | 63.7 Ų | 63.7 | 53% | 0.532 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -34 | 176.5 | 21.9 | -34.4 | 0 | 0 | 0 | 113.4 | E70 I71 V76 Y77 | E70-P73 VanDerWaalsContact O-CD 3.32Å; E70-P73 WeakPolarHBondContact O-CD 3.24Å; E70-P73 VanDerWaalsContact O-CG 3.28Å; E70-P73 WeakPolarHBondContact O-CG 3.14Å; I71-P73 VanDerWaalsContact C-CD 3.44Å; I71-P73 VanDerWaalsContact C-N 3.34Å; P73-V76 PolarHBondContact O-N 2.86Å; P73-Y77 PolarHBondContact O-N 3.43Å; P73-Y77 VanDerWaalsContact O-N 3.14Å |
| 74 | L | 77.9 | Confident | 79.7 | Confident | 108 Ų | 108 | 64.1 Ų | 64.1 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.8 | -39.7 | 173.5 | -62.4 | 173.1 | 0 | 0 | 0 | 111 | I71 Q72 V76 Y77 I78 | I71-L74 WeakPolarHBondContact O-CA 3.15Å; I71-L74 VanDerWaalsContact O-CB 3.3Å; I71-L74 WeakPolarHBondContact O-CB 3.3Å; I71-L74 PolarHBondContact O-N 3.35Å; Q72-L74 VanDerWaalsContact C-N 3.27Å; Q72-L74 PolarHBondContact O-N 2.96Å; L74-V76 VanDerWaalsContact C-N 3.34Å; L74-V76 PolarHBondContact O-N 3.42Å; L74-Y77 PolarHBondContact O-N 3.43Å; L74-I78 VanDerWaalsContact O-CG1 3.28Å; L74-I78 WeakPolarHBondContact O-CG1 3.33Å; L74-I78 PolarHBondContact O-N 2.71Å |
| 75 | G | 83.1 | Confident | 81 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.2 | -45.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I71 Q72 Y77 I78 F79 | I71-G75 PolarHBondContact O-N 3.1Å; I71-G75 VanDerWaalsContact O-N 3.08Å; Q72-G75 WeakPolarHBondContact O-CA 3.32Å; Q72-G75 PolarHBondContact O-N 2.85Å; G75-Y77 PolarHBondContact O-N 3.36Å; G75-I78 PolarHBondContact O-N 3.32Å; G75-F79 WeakPolarHBondContact O-CB 3.47Å; G75-F79 PolarHBondContact O-N 3.44Å |
| 76 | V | 86.9 | Confident | 82.5 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 42% | 0.418 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 175.2 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | I33 Q72 P73 L74 I78 F79 V80 | I33-V76 HydrophobicContact CD1-CB 4.34Å; I33-V76 HydrophobicContact CD1-CG2 4Å; I33-V76 HydrophobicContact CG1-CG2 3.89Å; Q72-V76 PolarHBondContact O-N 3.25Å; P73-V76 PolarHBondContact O-N 2.86Å; L74-V76 VanDerWaalsContact C-N 3.34Å; L74-V76 PolarHBondContact O-N 3.42Å; V76-I78 PolarHBondContact O-N 3.38Å; V76-F79 PolarHBondContact O-N 2.9Å; V76-V80 HydrophobicContact CG1-CG2 4.26Å; V76-V80 WeakPolarHBondContact O-CB 3.46Å; V76-V80 VanDerWaalsContact O-CG2 3.3Å; V76-V80 WeakPolarHBondContact O-CG2 3.41Å; V76-V80 PolarHBondContact O-N 3.09Å |
| 77 | Y | 87.3 | Confident | 83.9 | Confident | 170 Ų | 170 | 66.5 Ų | 66.5 | 67% | 0.667 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 178.4 | 180 | -95.5 | 0 | 0 | 0 | 112.4 | P73 L74 G75 S81 | P73-Y77 PolarHBondContact O-N 3.43Å; P73-Y77 VanDerWaalsContact O-N 3.14Å; L74-Y77 PolarHBondContact O-N 3.43Å; G75-Y77 PolarHBondContact O-N 3.36Å; Y77-S81 VanDerWaalsContact O-CB 3.29Å; Y77-S81 WeakPolarHBondContact O-CB 3.36Å; Y77-S81 PolarHBondContact O-N 3.06Å; Y77-S81 PolarHBondContact O-OG 2.93Å |
| 78 | I | 89 | Confident | 85.4 | Confident | 62 Ų | 62 | 65.5 Ų | 65.5 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 179 | -67.8 | 167.6 | 0 | 0 | 0 | 110.9 | I25 L74 G75 V76 S81 G82 | I25-I78 HydrophobicContact CG2-CG2 3.55Å; L74-I78 VanDerWaalsContact O-CG1 3.28Å; L74-I78 WeakPolarHBondContact O-CG1 3.33Å; L74-I78 PolarHBondContact O-N 2.71Å; G75-I78 PolarHBondContact O-N 3.32Å; V76-I78 PolarHBondContact O-N 3.38Å; I78-S81 PolarHBondContact O-OG 3.25Å; I78-G82 PolarHBondContact O-N 2.98Å |
| 79 | F | 92.6 | Very high | 86.8 | Confident | 39 Ų | 39 | 65 Ų | 65 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.8 | -51.4 | 178.4 | 177.5 | -99.9 | 0 | 0 | 0 | 112.1 | T26 I33 W34 G75 V76 G82 L83 | T26-F79 HydrophobicContact CG2-CD2 3.72Å; T26-F79 HydrophobicContact CG2-CE2 3.59Å; T26-F79 HydrophobicContact CG2-CZ 4.37Å; T26-F79 VanDerWaalsContact O-CD2 3.3Å; T26-F79 WeakPolarHBondContact O-CD2 3.36Å; I33-F79 HydrophobicContact CD1-CB 3.43Å; I33-F79 VanDerWaalsContact CD1-CB 3.43Å; I33-F79 HydrophobicContact CD1-CD1 4.12Å; I33-F79 HydrophobicContact CD1-CD2 4.47Å; I33-F79 HydrophobicContact CD1-CG 3.77Å; W34-F79 HydrophobicContact CH2-CE1 4.19Å; W34-F79 HydrophobicContact CH2-CE2 4.08Å; W34-F79 AromaticContact CH2-CZ 3.66Å; W34-F79 HydrophobicContact CH2-CZ 3.66Å; W34-F79 AromaticContact CZ3-CE2 3.95Å; W34-F79 HydrophobicContact CZ3-CE2 3.95Å; W34-F79 HydrophobicContact CZ3-CZ 4.01Å; G75-F79 WeakPolarHBondContact O-CB 3.47Å; G75-F79 PolarHBondContact O-N 3.44Å; V76-F79 PolarHBondContact O-N 2.9Å; F79-G82 PolarHBondContact O-N 3.26Å; F79-L83 HydrophobicContact CE1-CD2 4.19Å; F79-L83 HydrophobicContact CZ-CD2 4.35Å; F79-L83 VanDerWaalsContact O-CB 3.28Å; F79-L83 WeakPolarHBondContact O-CB 3.34Å; F79-L83 PolarHBondContact O-N 3.4Å |
| 80 | V | 93.5 | Very high | 88.2 | Confident | 69 Ų | 69 | 62.7 Ų | 62.7 | 42% | 0.418 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66 | -45.1 | -176.2 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | V76 L83 I84 | V76-V80 HydrophobicContact CG1-CG2 4.26Å; V76-V80 WeakPolarHBondContact O-CB 3.46Å; V76-V80 VanDerWaalsContact O-CG2 3.3Å; V76-V80 WeakPolarHBondContact O-CG2 3.41Å; V76-V80 PolarHBondContact O-N 3.09Å; V80-L83 PolarHBondContact O-N 3.11Å; V80-I84 HydrophobicContact CG1-CD1 3.87Å; V80-I84 VanDerWaalsContact O-CG1 3.28Å; V80-I84 WeakPolarHBondContact O-CG1 3.26Å; V80-I84 PolarHBondContact O-N 2.98Å |
| 81 | S | 92.3 | Very high | 89.6 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 177.8 | 58 | 0 | 0 | 0 | 0 | 112 | Y77 I78 L83 I84 I85 | Y77-S81 VanDerWaalsContact O-CB 3.29Å; Y77-S81 WeakPolarHBondContact O-CB 3.36Å; Y77-S81 PolarHBondContact O-N 3.06Å; Y77-S81 PolarHBondContact O-OG 2.93Å; I78-S81 PolarHBondContact O-OG 3.25Å; S81-L83 VanDerWaalsContact C-N 3.34Å; S81-L83 PolarHBondContact O-N 3.22Å; S81-I84 PolarHBondContact O-N 2.94Å; S81-I85 VanDerWaalsContact O-CG1 3.32Å; S81-I85 WeakPolarHBondContact O-CG1 3.28Å; S81-I85 PolarHBondContact O-N 3.45Å; S81-I85 VanDerWaalsContact O-N 3.09Å |
| 82 | G | 94.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58 | -44.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T26 I78 F79 I85 F86 | T26-G82 WeakPolarHBondContact OG1-CA 3.48Å; T26-G82 PolarHBondContact OG1-O 3.36Å; I78-G82 PolarHBondContact O-N 2.98Å; F79-G82 PolarHBondContact O-N 3.26Å; G82-I85 PolarHBondContact O-N 2.95Å; G82-F86 WeakPolarHBondContact O-CB 2.88Å; G82-F86 PolarHBondContact O-N 3.34Å |
| 83 | L | 95.6 | Very high | 92.1 | Very high | 64 Ų | 64 | 55.7 Ų | 55.7 | 34% | 0.335 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | -179.2 | -178.6 | 62.3 | 0 | 0 | 0 | 111.9 | T26 F79 V80 S81 F86 I87 | T26-L83 HydrophobicContact CG2-CB 4.01Å; T26-L83 HydrophobicContact CG2-CD1 4.34Å; T26-L83 PolarHBondContact OG1-N 2.99Å; T26-L83 VanDerWaalsContact OG1-N 3.1Å; F79-L83 HydrophobicContact CE1-CD2 4.19Å; F79-L83 HydrophobicContact CZ-CD2 4.35Å; F79-L83 VanDerWaalsContact O-CB 3.28Å; F79-L83 WeakPolarHBondContact O-CB 3.34Å; F79-L83 PolarHBondContact O-N 3.4Å; V80-L83 PolarHBondContact O-N 3.11Å; S81-L83 VanDerWaalsContact C-N 3.34Å; S81-L83 PolarHBondContact O-N 3.22Å; L83-F86 PolarHBondContact O-N 3.41Å; L83-I87 HydrophobicContact CD1-CD1 4.25Å; L83-I87 HydrophobicContact CD1-CG1 4.48Å; L83-I87 HydrophobicContact CG-CD1 4.06Å; L83-I87 VanDerWaalsContact O-CG1 3.3Å; L83-I87 WeakPolarHBondContact O-CG1 2.96Å; L83-I87 PolarHBondContact O-N 2.85Å |
| 84 | I | 95.5 | Very high | 93 | Very high | 82 Ų | 82 | 55.1 Ų | 55.1 | 42% | 0.421 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 176.7 | -70.2 | 166.9 | 0 | 0 | 0 | 110.3 | V80 S81 F86 I87 I88 | V80-I84 HydrophobicContact CG1-CD1 3.87Å; V80-I84 VanDerWaalsContact O-CG1 3.28Å; V80-I84 WeakPolarHBondContact O-CG1 3.26Å; V80-I84 PolarHBondContact O-N 2.98Å; S81-I84 PolarHBondContact O-N 2.94Å; I84-F86 VanDerWaalsContact C-N 3.32Å; I84-F86 PolarHBondContact O-N 3.41Å; I84-I87 PolarHBondContact O-N 2.91Å; I84-I88 HydrophobicContact CG2-CD1 3.87Å; I84-I88 VanDerWaalsContact O-CG1 3.32Å; I84-I88 WeakPolarHBondContact O-CG1 3.37Å; I84-I88 PolarHBondContact O-N 3.31Å |
| 85 | I | 95.6 | Very high | 93.7 | Very high | 79 Ų | 79 | 50 Ų | 50 | 41% | 0.405 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 178.8 | -64.2 | 166.7 | 0 | 0 | 0 | 110.3 | I18 A22 S81 G82 I87 I88 C89 | I18-I85 HydrophobicContact CG2-CG2 4.07Å; A22-I85 HydrophobicContact CB-CB 3.98Å; A22-I85 HydrophobicContact CB-CG2 3.65Å; S81-I85 VanDerWaalsContact O-CG1 3.32Å; S81-I85 WeakPolarHBondContact O-CG1 3.28Å; S81-I85 PolarHBondContact O-N 3.45Å; S81-I85 VanDerWaalsContact O-N 3.09Å; G82-I85 PolarHBondContact O-N 2.95Å; I85-I87 PolarHBondContact O-N 3.28Å; I85-I88 PolarHBondContact O-N 3.08Å; I85-C89 PolarHBondContact O-N 3.12Å; I85-C89 PolarHBondContact O-SG 3.29Å; I85-C89 VanDerWaalsContact O-SG 3.4Å |
| 86 | F | 96.9 | Very high | 94.2 | Very high | 66 Ų | 66 | 50.2 Ų | 50.2 | 29% | 0.289 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 176.9 | -179.3 | -111.7 | 0 | 0 | 0 | 112.2 | G19 A22 G82 L83 I84 C89 L90 | G19-F86 VanDerWaalsContact O-CD2 3.26Å; G19-F86 WeakPolarHBondContact O-CD2 3.13Å; A22-F86 HydrophobicContact CB-CB 4.18Å; G82-F86 WeakPolarHBondContact O-CB 2.88Å; G82-F86 PolarHBondContact O-N 3.34Å; L83-F86 PolarHBondContact O-N 3.41Å; I84-F86 VanDerWaalsContact C-N 3.32Å; I84-F86 PolarHBondContact O-N 3.41Å; F86-C89 PolarHBondContact O-N 2.85Å; F86-L90 HydrophobicContact CD1-CD1 3.88Å; F86-L90 HydrophobicContact CD1-CG 4.41Å; F86-L90 HydrophobicContact CE1-CD1 3.39Å; F86-L90 HydrophobicContact CE1-CG 4.07Å; F86-L90 HydrophobicContact CE2-CD1 4.5Å; F86-L90 HydrophobicContact CE2-CD2 4.43Å; F86-L90 HydrophobicContact CE2-CG 4.33Å; F86-L90 HydrophobicContact CZ-CD1 3.75Å; F86-L90 HydrophobicContact CZ-CD2 4.13Å; F86-L90 HydrophobicContact CZ-CG 4.02Å; F86-L90 WeakPolarHBondContact O-CG 3.39Å; F86-L90 PolarHBondContact O-N 2.8Å |
| 87 | I | 96.6 | Very high | 94.5 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 176.8 | -69.3 | 166.6 | 0 | 0 | 0 | 111 | L83 I84 I85 C89 L90 L91 | L83-I87 HydrophobicContact CD1-CD1 4.25Å; L83-I87 HydrophobicContact CD1-CG1 4.48Å; L83-I87 HydrophobicContact CG-CD1 4.06Å; L83-I87 VanDerWaalsContact O-CG1 3.3Å; L83-I87 WeakPolarHBondContact O-CG1 2.96Å; L83-I87 PolarHBondContact O-N 2.85Å; I84-I87 PolarHBondContact O-N 2.91Å; I85-I87 PolarHBondContact O-N 3.28Å; I87-C89 VanDerWaalsContact C-N 3.3Å; I87-C89 PolarHBondContact O-N 3.04Å; I87-L90 PolarHBondContact O-N 3.48Å; I87-L91 HydrophobicContact CG2-CD1 4.13Å; I87-L91 HydrophobicContact CG2-CG 4.45Å; I87-L91 VanDerWaalsContact O-CG 3.31Å; I87-L91 WeakPolarHBondContact O-CG 3.45Å; I87-L91 PolarHBondContact O-N 3.22Å |
| 88 | I | 96.7 | Very high | 94.7 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 176.8 | -67.1 | 168.8 | 0 | 0 | 0 | 110.2 | I84 I85 L91 G92 Y107 F110 V114 | I84-I88 HydrophobicContact CG2-CD1 3.87Å; I84-I88 VanDerWaalsContact O-CG1 3.32Å; I84-I88 WeakPolarHBondContact O-CG1 3.37Å; I84-I88 PolarHBondContact O-N 3.31Å; I85-I88 PolarHBondContact O-N 3.08Å; I88-L91 PolarHBondContact O-N 3.07Å; I88-G92 PolarHBondContact O-N 2.97Å; I88-Y107 HydrophobicContact CG2-CD2 4Å; I88-Y107 HydrophobicContact CG2-CE2 3.91Å; I88-Y107 VanDerWaalsContact O-CD2 3.32Å; I88-Y107 WeakPolarHBondContact O-CD2 2.92Å; I88-F110 HydrophobicContact CD1-CB 3.95Å; I88-F110 HydrophobicContact CD1-CG 4.44Å; I88-F110 HydrophobicContact CG1-CB 3.85Å; I88-F110 HydrophobicContact CG1-CG 4.11Å; I88-V114 HydrophobicContact CD1-CG2 4.38Å |
| 89 | C | 97 | Very high | 94.8 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 177.1 | -71.6 | 0 | 0 | 0 | 0 | 112.9 | N15 I85 F86 I87 L91 G92 V93 | N15-C89 HydrophobicContact CB-CB 4.37Å; N15-C89 WeakPolarHBondContact O-CB 3.3Å; N15-C89 WeakPolarHBondContact OD1-CA 3.34Å; I85-C89 PolarHBondContact O-N 3.12Å; I85-C89 PolarHBondContact O-SG 3.29Å; I85-C89 VanDerWaalsContact O-SG 3.4Å; F86-C89 PolarHBondContact O-N 2.85Å; I87-C89 VanDerWaalsContact C-N 3.3Å; I87-C89 PolarHBondContact O-N 3.04Å; C89-L91 VanDerWaalsContact C-N 3.34Å; C89-L91 PolarHBondContact O-N 3.06Å; C89-G92 PolarHBondContact O-N 2.69Å; C89-G92 VanDerWaalsContact O-N 3.16Å; C89-V93 PolarHBondContact O-N 3.38Å |
| 90 | L | 96.6 | Very high | 94.7 | Very high | 73 Ų | 73 | 54 Ų | 54 | 38% | 0.382 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 174.8 | -74.2 | 179.4 | 0 | 0 | 0 | 111.8 | F86 I87 G92 V93 I94 | F86-L90 HydrophobicContact CD1-CD1 3.88Å; F86-L90 HydrophobicContact CD1-CG 4.41Å; F86-L90 HydrophobicContact CE1-CD1 3.39Å; F86-L90 HydrophobicContact CE1-CG 4.07Å; F86-L90 HydrophobicContact CE2-CD1 4.5Å; F86-L90 HydrophobicContact CE2-CD2 4.43Å; F86-L90 HydrophobicContact CE2-CG 4.33Å; F86-L90 HydrophobicContact CZ-CD1 3.75Å; F86-L90 HydrophobicContact CZ-CD2 4.13Å; F86-L90 HydrophobicContact CZ-CG 4.02Å; F86-L90 WeakPolarHBondContact O-CG 3.39Å; F86-L90 PolarHBondContact O-N 2.8Å; I87-L90 PolarHBondContact O-N 3.48Å; L90-G92 VanDerWaalsContact C-N 3.29Å; L90-G92 PolarHBondContact O-N 2.91Å; L90-V93 PolarHBondContact O-N 3.3Å; L90-I94 WeakPolarHBondContact O-CB 3.47Å; L90-I94 VanDerWaalsContact O-CG1 3.24Å; L90-I94 WeakPolarHBondContact O-CG1 3.29Å; L90-I94 PolarHBondContact O-N 3.4Å |
| 91 | L | 96.7 | Very high | 94.6 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 175.1 | -68.2 | 169.6 | 0 | 0 | 0 | 111.5 | I87 I88 C89 G95 V103 I106 Y107 F110 | I87-L91 HydrophobicContact CG2-CD1 4.13Å; I87-L91 HydrophobicContact CG2-CG 4.45Å; I87-L91 VanDerWaalsContact O-CG 3.31Å; I87-L91 WeakPolarHBondContact O-CG 3.45Å; I87-L91 PolarHBondContact O-N 3.22Å; I88-L91 PolarHBondContact O-N 3.07Å; C89-L91 VanDerWaalsContact C-N 3.34Å; C89-L91 PolarHBondContact O-N 3.06Å; L91-G95 WeakPolarHBondContact O-CA 3.39Å; L91-G95 PolarHBondContact O-N 3.29Å; L91-V103 HydrophobicContact CB-CG1 4.33Å; L91-V103 HydrophobicContact CD2-CG1 3.98Å; L91-V103 WeakPolarHBondContact O-CG1 3.49Å; L91-I106 HydrophobicContact CD1-CG2 3.99Å; L91-Y107 HydrophobicContact CB-CD2 4.44Å; L91-F110 HydrophobicContact CD1-CD2 3.89Å; L91-F110 HydrophobicContact CD1-CE2 3.91Å |
| 92 | G | 95.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I88 C89 L90 T96 | I88-G92 PolarHBondContact O-N 2.97Å; C89-G92 PolarHBondContact O-N 2.69Å; C89-G92 VanDerWaalsContact O-N 3.16Å; L90-G92 VanDerWaalsContact C-N 3.29Å; L90-G92 PolarHBondContact O-N 2.91Å; G92-T96 VanDerWaalsContact O-CB 3.29Å; G92-T96 WeakPolarHBondContact O-CB 3.28Å; G92-T96 PolarHBondContact O-N 3.47Å; G92-T96 PolarHBondContact O-OG1 2.92Å |
| 93 | V | 96.8 | Very high | 94.7 | Very high | 31 Ų | 31 | 59.8 Ų | 59.8 | 19% | 0.188 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -52.6 | 176.8 | 176.9 | 0 | 0 | 0 | 0 | 111 | V12 N15 I16 C89 L90 G95 T96 C97 | V12-V93 HydrophobicContact CG1-CG1 4.45Å; N15-V93 HydrophobicContact CB-CG2 3.88Å; I16-V93 HydrophobicContact CG1-CG2 3.91Å; C89-V93 PolarHBondContact O-N 3.38Å; L90-V93 PolarHBondContact O-N 3.3Å; V93-G95 PolarHBondContact O-N 3.47Å; V93-T96 PolarHBondContact O-N 3.48Å; V93-C97 VanDerWaalsContact O-CB 3.31Å; V93-C97 WeakPolarHBondContact O-CB 3.23Å; V93-C97 PolarHBondContact O-N 2.74Å; V93-C97 PolarHBondContact O-SG 3.4Å; V93-C97 VanDerWaalsContact O-SG 3.35Å |
| 94 | I | 95.8 | Very high | 94.7 | Very high | 71 Ų | 71 | 57 Ų | 57 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | -178.5 | -67.8 | 168.6 | 0 | 0 | 0 | 110.3 | L90 T96 C97 F98 V103 | L90-I94 WeakPolarHBondContact O-CB 3.47Å; L90-I94 VanDerWaalsContact O-CG1 3.24Å; L90-I94 WeakPolarHBondContact O-CG1 3.29Å; L90-I94 PolarHBondContact O-N 3.4Å; I94-T96 VanDerWaalsContact C-N 3.26Å; I94-T96 PolarHBondContact O-N 2.96Å; I94-C97 PolarHBondContact O-N 2.92Å; I94-F98 HydrophobicContact CB-CD2 4.27Å; I94-F98 HydrophobicContact CG2-CD2 3.69Å; I94-F98 HydrophobicContact CG2-CE2 4.17Å; I94-F98 WeakPolarHBondContact O-CB 3.19Å; I94-F98 VanDerWaalsContact O-CD2 3.31Å; I94-F98 WeakPolarHBondContact O-CD2 3.32Å; I94-F98 PolarHBondContact O-N 3.49Å; I94-V103 HydrophobicContact CB-CG1 4.38Å; I94-V103 HydrophobicContact CG2-CG1 4.15Å; I94-V103 HydrophobicContact CG2-CG2 4.48Å |
| 95 | G | 94 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.7 | -39.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L91 V93 K99 S100 I104 | L91-G95 WeakPolarHBondContact O-CA 3.39Å; L91-G95 PolarHBondContact O-N 3.29Å; V93-G95 PolarHBondContact O-N 3.47Å; G95-K99 CarbonylContact O-C 3.48Å; G95-K99 WeakPolarHBondContact O-CA 3.45Å; G95-K99 PolarHBondContact O-N 3.19Å; G95-S100 PolarHBondContact O-N 3.33Å; G95-S100 VanDerWaalsContact O-N 3.13Å; G95-I104 WeakPolarHBondContact O-CD1 3.38Å |
| 96 | T | 93.5 | Very high | 94.8 | Very high | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.8 | -46.3 | -178.8 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | R8 L11 V12 G92 V93 I94 K99 | R8-T96 HydrophobicContact CB-CG2 3.57Å; R8-T96 HydrophobicContact CG-CG2 3.65Å; L11-T96 WeakPolarHBondContact CD2-OG1 3.19Å; V12-T96 HydrophobicContact CG2-CG2 3.6Å; G92-T96 VanDerWaalsContact O-CB 3.29Å; G92-T96 WeakPolarHBondContact O-CB 3.28Å; G92-T96 PolarHBondContact O-N 3.47Å; G92-T96 PolarHBondContact O-OG1 2.92Å; V93-T96 PolarHBondContact O-N 3.48Å; I94-T96 VanDerWaalsContact C-N 3.26Å; I94-T96 PolarHBondContact O-N 2.96Å; T96-K99 PolarHBondContact O-N 2.97Å |
| 97 | C | 92.7 | Very high | 94.8 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 51% | 0.507 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.9 | -47.9 | -178.5 | -71 | 0 | 0 | 0 | 0 | 112.2 | V93 I94 K99 | V93-C97 VanDerWaalsContact O-CB 3.31Å; V93-C97 WeakPolarHBondContact O-CB 3.23Å; V93-C97 PolarHBondContact O-N 2.74Å; V93-C97 PolarHBondContact O-SG 3.4Å; V93-C97 VanDerWaalsContact O-SG 3.35Å; I94-C97 PolarHBondContact O-N 2.92Å; C97-K99 PolarHBondContact O-N 2.92Å |
| 98 | F | 91.7 | Very high | 94.7 | Very high | 162 Ų | 162 | 51.4 Ų | 51.4 | 71% | 0.711 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -0.6 | 179 | -65.9 | -80.4 | 0 | 0 | 0 | 113.1 | I94 S100 | I94-F98 HydrophobicContact CB-CD2 4.27Å; I94-F98 HydrophobicContact CG2-CD2 3.69Å; I94-F98 HydrophobicContact CG2-CE2 4.17Å; I94-F98 WeakPolarHBondContact O-CB 3.19Å; I94-F98 VanDerWaalsContact O-CD2 3.31Å; I94-F98 WeakPolarHBondContact O-CD2 3.32Å; I94-F98 PolarHBondContact O-N 3.49Å; F98-S100 PolarHBondContact O-N 3.41Å |
| 99 | K | 89.5 | Confident | 94.7 | Very high | 141 Ų | 141 | 54.6 Ų | 54.6 | 61% | 0.613 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 29.3 | -176.8 | -55.9 | 173.3 | -174.1 | 168.7 | 0 | 112.3 | G95 T96 C97 R101 | G95-K99 CarbonylContact O-C 3.48Å; G95-K99 WeakPolarHBondContact O-CA 3.45Å; G95-K99 PolarHBondContact O-N 3.19Å; T96-K99 PolarHBondContact O-N 2.97Å; C97-K99 PolarHBondContact O-N 2.92Å; K99-R101 PolarHBondContact O-N 2.82Å |
| 100 | S | 92 | Very high | 94.7 | Very high | 41 Ų | 41 | 57.9 Ų | 57.9 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | trans | -81.8 | 110.3 | -176.2 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | G95 F98 L102 V103 I104 | G95-S100 PolarHBondContact O-N 3.33Å; G95-S100 VanDerWaalsContact O-N 3.13Å; F98-S100 PolarHBondContact O-N 3.41Å; S100-L102 VanDerWaalsContact C-N 3.29Å; S100-L102 PolarHBondContact O-N 3.13Å; S100-V103 PolarHBondContact O-N 3.02Å; S100-I104 WeakPolarHBondContact O-CG1 3.18Å; S100-I104 PolarHBondContact O-N 3.39Å; S100-I104 VanDerWaalsContact O-N 3.17Å | ||
| 101 | R | 91.3 | Very high | 94.7 | Very high | 82 Ų | 82 | 55.1 Ų | 55.1 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | -179.3 | -63.8 | -172.3 | -170.5 | 164.7 | 5.5 | 112.1 | K99 V103 I104 Y105 G272 | K99-R101 PolarHBondContact O-N 2.82Å; R101-V103 PolarHBondContact O-N 2.92Å; R101-I104 PolarHBondContact O-N 2.97Å; R101-Y105 HydrophobicContact CB-CE2 4.32Å; R101-Y105 WeakPolarHBondContact O-CD2 3.32Å; R101-Y105 PolarHBondContact O-N 3.21Å; R101-G272 PolarHBondContact NH2-O 2.84Å |
| 102 | L | 93.7 | Very high | 94.6 | Very high | 124 Ų | 124 | 56.4 Ų | 56.4 | 65% | 0.649 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.9 | -47.2 | 179.4 | -178.7 | 65.2 | 0 | 0 | 0 | 111 | S100 I104 Y105 I106 | S100-L102 VanDerWaalsContact C-N 3.29Å; S100-L102 PolarHBondContact O-N 3.13Å; L102-I104 PolarHBondContact O-N 2.98Å; L102-Y105 PolarHBondContact O-N 3.43Å; L102-I106 HydrophobicContact CG-CD1 4.3Å; L102-I106 WeakPolarHBondContact O-CG1 3.36Å; L102-I106 PolarHBondContact O-N 3.39Å |
| 103 | V | 95.6 | Very high | 94.6 | Very high | 25 Ų | 25 | 61.3 Ų | 61.3 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -39.9 | -180 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | L91 I94 S100 R101 Y105 I106 Y107 | L91-V103 HydrophobicContact CB-CG1 4.33Å; L91-V103 HydrophobicContact CD2-CG1 3.98Å; L91-V103 WeakPolarHBondContact O-CG1 3.49Å; I94-V103 HydrophobicContact CB-CG1 4.38Å; I94-V103 HydrophobicContact CG2-CG1 4.15Å; I94-V103 HydrophobicContact CG2-CG2 4.48Å; S100-V103 PolarHBondContact O-N 3.02Å; R101-V103 PolarHBondContact O-N 2.92Å; V103-Y105 VanDerWaalsContact C-N 3.33Å; V103-Y105 PolarHBondContact O-N 2.99Å; V103-I106 PolarHBondContact O-N 3.28Å; V103-Y107 WeakPolarHBondContact O-CB 3.42Å; V103-Y107 PolarHBondContact O-N 3.16Å |
| 104 | I | 94.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 175.5 | -57.8 | 173.2 | 0 | 0 | 0 | 111.2 | G95 S100 R101 L102 Y107 L108 A265 I268 I269 | G95-I104 WeakPolarHBondContact O-CD1 3.38Å; S100-I104 WeakPolarHBondContact O-CG1 3.18Å; S100-I104 PolarHBondContact O-N 3.39Å; S100-I104 VanDerWaalsContact O-N 3.17Å; R101-I104 PolarHBondContact O-N 2.97Å; L102-I104 PolarHBondContact O-N 2.98Å; I104-Y107 PolarHBondContact O-N 2.9Å; I104-L108 WeakPolarHBondContact O-CB 3.36Å; I104-L108 PolarHBondContact O-N 3.01Å; I104-A265 HydrophobicContact CG2-CB 3.86Å; I104-I268 HydrophobicContact CD1-CG2 3.79Å; I104-I269 HydrophobicContact CB-CD1 4.42Å; I104-I269 HydrophobicContact CB-CG1 4.33Å; I104-I269 HydrophobicContact CG2-CD1 3.77Å; I104-I269 HydrophobicContact CG2-CG1 3.79Å |
| 105 | Y | 95.6 | Very high | 94.6 | Very high | 90 Ų | 90 | 60 Ų | 60 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 173.3 | -77.1 | -61.8 | 0 | 0 | 0 | 111.8 | R101 L102 V103 L108 T109 I269 R273 | R101-Y105 HydrophobicContact CB-CE2 4.32Å; R101-Y105 WeakPolarHBondContact O-CD2 3.32Å; R101-Y105 PolarHBondContact O-N 3.21Å; L102-Y105 PolarHBondContact O-N 3.43Å; V103-Y105 VanDerWaalsContact C-N 3.33Å; V103-Y105 PolarHBondContact O-N 2.99Å; Y105-L108 WeakPolarHBondContact O-CB 3.49Å; Y105-L108 PolarHBondContact O-N 2.89Å; Y105-T109 PolarHBondContact O-N 3.25Å; Y105-T109 PolarHBondContact O-OG1 3.44Å; Y105-T109 VanDerWaalsContact O-OG1 3.07Å; Y105-I269 HydrophobicContact CD1-CD1 3.86Å; Y105-I269 HydrophobicContact CE1-CD1 3.77Å; Y105-I269 HydrophobicContact CE1-CG2 4.16Å; Y105-I269 HydrophobicContact CG-CD1 4.42Å; Y105-I269 WeakPolarHBondContact OH-CG2 3.01Å; Y105-R273 PolarHBondContact OH-NH2 3.37Å |
| 106 | I | 96.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 64.7 Ų | 64.7 | 36% | 0.359 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 176.2 | -64.3 | 168.4 | 0 | 0 | 0 | 110.5 | L91 L102 V103 L108 T109 F110 | L91-I106 HydrophobicContact CD1-CG2 3.99Å; L102-I106 HydrophobicContact CG-CD1 4.3Å; L102-I106 WeakPolarHBondContact O-CG1 3.36Å; L102-I106 PolarHBondContact O-N 3.39Å; V103-I106 PolarHBondContact O-N 3.28Å; I106-L108 VanDerWaalsContact C-N 3.32Å; I106-L108 PolarHBondContact O-N 3.48Å; I106-T109 WeakPolarHBondContact O-CB 3.24Å; I106-T109 PolarHBondContact O-N 2.93Å; I106-F110 HydrophobicContact CG2-CD2 3.83Å; I106-F110 HydrophobicContact CG2-CE2 3.55Å; I106-F110 VanDerWaalsContact O-CD2 3.27Å; I106-F110 WeakPolarHBondContact O-CD2 3.28Å; I106-F110 PolarHBondContact O-N 3.39Å |
| 107 | Y | 96.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54.7 | -46.2 | 174.3 | 170.2 | -105.8 | 0 | 0 | 0 | 112.2 | L11 N15 I88 L91 V103 I104 F110 H111 F261 A265 | L11-Y107 HydrophobicContact CD1-CE1 4.47Å; N15-Y107 PolarHBondContact ND2-OH 3.29Å; I88-Y107 HydrophobicContact CG2-CD2 4Å; I88-Y107 HydrophobicContact CG2-CE2 3.91Å; I88-Y107 VanDerWaalsContact O-CD2 3.32Å; I88-Y107 WeakPolarHBondContact O-CD2 2.92Å; L91-Y107 HydrophobicContact CB-CD2 4.44Å; V103-Y107 WeakPolarHBondContact O-CB 3.42Å; V103-Y107 PolarHBondContact O-N 3.16Å; I104-Y107 PolarHBondContact O-N 2.9Å; Y107-F110 PolarHBondContact O-N 2.85Å; Y107-H111 AromaticContact CD2-CD2 3.86Å; Y107-H111 AromaticContact CE1-CD2 3.7Å; Y107-H111 AromaticContact CE2-CD2 3.34Å; Y107-H111 WeakPolarHBondContact CE2-CD2 3.18Å; Y107-H111 AromaticContact CE2-NE2 3.14Å; Y107-H111 WeakPolarHBondContact CE2-NE2 3.5Å; Y107-H111 AromaticContact CZ-CD2 3.25Å; Y107-H111 AromaticContact CZ-NE2 3.13Å; Y107-H111 PolarHBondContact O-N 3.48Å; Y107-H111 VanDerWaalsContact O-N 3.11Å; Y107-H111 PolarHBondContact OH-NE2 3.42Å; Y107-F261 WeakPolarHBondContact OH-CB 3.45Å; Y107-A265 HydrophobicContact CD1-CB 4.29Å; Y107-A265 HydrophobicContact CE1-CB 4.25Å |
| 108 | L | 96.1 | Very high | 95 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 177.3 | 179.1 | 66.7 | 0 | 0 | 0 | 111.9 | I104 Y105 I106 F110 H111 V112 I262 L266 | I104-L108 WeakPolarHBondContact O-CB 3.36Å; I104-L108 PolarHBondContact O-N 3.01Å; Y105-L108 WeakPolarHBondContact O-CB 3.49Å; Y105-L108 PolarHBondContact O-N 2.89Å; I106-L108 VanDerWaalsContact C-N 3.32Å; I106-L108 PolarHBondContact O-N 3.48Å; L108-F110 PolarHBondContact O-N 3.18Å; L108-H111 PolarHBondContact O-N 3.44Å; L108-V112 HydrophobicContact CD1-CG2 4.49Å; L108-V112 WeakPolarHBondContact O-CG2 3.28Å; L108-V112 PolarHBondContact O-N 3.01Å; L108-I262 HydrophobicContact CD1-CB 4.03Å; L108-I262 HydrophobicContact CD1-CG1 3.83Å; L108-I262 HydrophobicContact CD1-CG2 3.73Å; L108-L266 HydrophobicContact CD1-CG 4.49Å; L108-L266 HydrophobicContact CD2-CD2 3.67Å; L108-L266 HydrophobicContact CD2-CG 4.28Å |
| 109 | T | 96.4 | Very high | 95.2 | Very high | 82 Ų | 82 | 60.7 Ų | 60.7 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 176.9 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | Y105 I106 H111 V112 L113 | Y105-T109 PolarHBondContact O-N 3.25Å; Y105-T109 PolarHBondContact O-OG1 3.44Å; Y105-T109 VanDerWaalsContact O-OG1 3.07Å; I106-T109 WeakPolarHBondContact O-CB 3.24Å; I106-T109 PolarHBondContact O-N 2.93Å; T109-H111 PolarHBondContact O-N 2.79Å; T109-V112 PolarHBondContact O-N 3.41Å; T109-L113 HydrophobicContact CG2-CD1 4.04Å; T109-L113 HydrophobicContact CG2-CG 4.42Å; T109-L113 VanDerWaalsContact O-CG 3.29Å; T109-L113 WeakPolarHBondContact O-CG 3.03Å; T109-L113 PolarHBondContact O-N 3.17Å |
| 110 | F | 96.7 | Very high | 95.5 | Very high | 76 Ų | 76 | 57.9 Ų | 57.9 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 176.9 | -79.2 | -66.4 | 0 | 0 | 0 | 112.8 | I88 L91 I106 Y107 L108 V112 L113 V114 | I88-F110 HydrophobicContact CD1-CB 3.95Å; I88-F110 HydrophobicContact CD1-CG 4.44Å; I88-F110 HydrophobicContact CG1-CB 3.85Å; I88-F110 HydrophobicContact CG1-CG 4.11Å; L91-F110 HydrophobicContact CD1-CD2 3.89Å; L91-F110 HydrophobicContact CD1-CE2 3.91Å; I106-F110 HydrophobicContact CG2-CD2 3.83Å; I106-F110 HydrophobicContact CG2-CE2 3.55Å; I106-F110 VanDerWaalsContact O-CD2 3.27Å; I106-F110 WeakPolarHBondContact O-CD2 3.28Å; I106-F110 PolarHBondContact O-N 3.39Å; Y107-F110 PolarHBondContact O-N 2.85Å; L108-F110 PolarHBondContact O-N 3.18Å; F110-V112 VanDerWaalsContact C-N 3.34Å; F110-V112 PolarHBondContact O-N 3.31Å; F110-L113 PolarHBondContact O-N 2.99Å; F110-V114 WeakPolarHBondContact O-CG2 3.35Å; F110-V114 PolarHBondContact O-N 3.14Å |
| 111 | H | 96.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 7% | 0.069 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 175.8 | -93 | -63.7 | 0 | 0 | 0 | 112.6 | Y107 L108 T109 L113 V114 L115 F261 I262 | Y107-H111 AromaticContact CD2-CD2 3.86Å; Y107-H111 AromaticContact CE1-CD2 3.7Å; Y107-H111 AromaticContact CE2-CD2 3.34Å; Y107-H111 WeakPolarHBondContact CE2-CD2 3.18Å; Y107-H111 AromaticContact CE2-NE2 3.14Å; Y107-H111 WeakPolarHBondContact CE2-NE2 3.5Å; Y107-H111 AromaticContact CZ-CD2 3.25Å; Y107-H111 AromaticContact CZ-NE2 3.13Å; Y107-H111 PolarHBondContact O-N 3.48Å; Y107-H111 VanDerWaalsContact O-N 3.11Å; Y107-H111 PolarHBondContact OH-NE2 3.42Å; L108-H111 PolarHBondContact O-N 3.44Å; T109-H111 PolarHBondContact O-N 2.79Å; H111-L113 VanDerWaalsContact C-N 3.34Å; H111-V114 PolarHBondContact O-N 2.94Å; H111-L115 WeakPolarHBondContact O-CB 3.29Å; H111-L115 PolarHBondContact O-N 3.25Å; H111-F261 AromaticContact CE1-CD2 3.62Å; H111-F261 AromaticContact NE2-CD2 3.87Å; H111-I262 HydrophobicContact CB-CD1 4.22Å; H111-I262 HydrophobicContact CB-CG1 3.94Å |
| 112 | V | 95.7 | Very high | 95.7 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 37% | 0.37 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | L108 T109 F110 V114 L115 I116 I262 | L108-V112 HydrophobicContact CD1-CG2 4.49Å; L108-V112 WeakPolarHBondContact O-CG2 3.28Å; L108-V112 PolarHBondContact O-N 3.01Å; T109-V112 PolarHBondContact O-N 3.41Å; F110-V112 VanDerWaalsContact C-N 3.34Å; F110-V112 PolarHBondContact O-N 3.31Å; V112-V114 VanDerWaalsContact C-N 3.32Å; V112-V114 PolarHBondContact O-N 3.47Å; V112-L115 PolarHBondContact O-N 3.05Å; V112-I116 HydrophobicContact CG1-CD1 4.11Å; V112-I116 WeakPolarHBondContact O-CG1 3.38Å; V112-I116 PolarHBondContact O-N 3.49Å; V112-I262 HydrophobicContact CG2-CD1 4.24Å |
| 113 | L | 96 | Very high | 95.8 | Very high | 105 Ų | 105 | 56.5 Ų | 56.5 | 55% | 0.55 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.2 | -34.1 | 177.9 | -72.6 | 173.7 | 0 | 0 | 0 | 113.1 | T109 F110 H111 P117 | T109-L113 HydrophobicContact CG2-CD1 4.04Å; T109-L113 HydrophobicContact CG2-CG 4.42Å; T109-L113 VanDerWaalsContact O-CG 3.29Å; T109-L113 WeakPolarHBondContact O-CG 3.03Å; T109-L113 PolarHBondContact O-N 3.17Å; F110-L113 PolarHBondContact O-N 2.99Å; H111-L113 VanDerWaalsContact C-N 3.34Å; L113-P117 WeakPolarHBondContact O-CD 3.47Å |
| 114 | V | 95.2 | Very high | 95.7 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 30% | 0.297 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -80.2 | -36.9 | 175.6 | 175 | 0 | 0 | 0 | 0 | 111.6 | I88 F110 H111 V112 I116 P117 E118 | I88-V114 HydrophobicContact CD1-CG2 4.38Å; F110-V114 WeakPolarHBondContact O-CG2 3.35Å; F110-V114 PolarHBondContact O-N 3.14Å; H111-V114 PolarHBondContact O-N 2.94Å; V112-V114 VanDerWaalsContact C-N 3.32Å; V112-V114 PolarHBondContact O-N 3.47Å; V114-I116 VanDerWaalsContact C-N 3.35Å; V114-I116 PolarHBondContact O-N 3.46Å; V114-P117 WeakPolarHBondContact O-CD 3.38Å; V114-P117 VanDerWaalsContact O-CG 3.24Å; V114-P117 WeakPolarHBondContact O-CG 3.38Å; V114-E118 HydrophobicContact CG1-CG 4.39Å; V114-E118 WeakPolarHBondContact CG1-OE1 3.36Å; V114-E118 WeakPolarHBondContact O-CG 3.24Å; V114-E118 PolarHBondContact O-N 3.31Å |
| 115 | L | 96.5 | Very high | 95.7 | Very high | 24 Ų | 24 | 59.5 Ų | 59.5 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -39.4 | -178.2 | -178.5 | 67.8 | 0 | 0 | 0 | 113.1 | H111 V112 E118 I119 V255 Q258 I259 I262 | H111-L115 WeakPolarHBondContact O-CB 3.29Å; H111-L115 PolarHBondContact O-N 3.25Å; V112-L115 PolarHBondContact O-N 3.05Å; L115-E118 PolarHBondContact O-N 3.35Å; L115-I119 HydrophobicContact CD1-CD1 3.99Å; L115-I119 HydrophobicContact CD1-CG1 4.27Å; L115-I119 HydrophobicContact CD2-CD1 4.37Å; L115-I119 HydrophobicContact CG-CD1 3.81Å; L115-I119 HydrophobicContact CG-CG1 4.43Å; L115-I119 WeakPolarHBondContact O-CG1 3.3Å; L115-I119 PolarHBondContact O-N 3.14Å; L115-V255 HydrophobicContact CD1-CB 4.42Å; L115-V255 HydrophobicContact CD1-CG1 3.89Å; L115-V255 HydrophobicContact CD1-CG2 4.29Å; L115-Q258 HydrophobicContact CD1-CB 4.35Å; L115-I259 HydrophobicContact CD1-CG1 4.31Å; L115-I259 HydrophobicContact CD2-CG1 4.43Å; L115-I262 HydrophobicContact CD2-CD1 3.7Å |
| 116 | I | 96.1 | Very high | 95.6 | Very high | 99 Ų | 99 | 60.1 Ų | 60.1 | 51% | 0.508 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.5 | -56.7 | -177.8 | -67.4 | 165.7 | 0 | 0 | 0 | 112.1 | V112 V114 E118 I119 V120 | V112-I116 HydrophobicContact CG1-CD1 4.11Å; V112-I116 WeakPolarHBondContact O-CG1 3.38Å; V112-I116 PolarHBondContact O-N 3.49Å; V114-I116 VanDerWaalsContact C-N 3.35Å; V114-I116 PolarHBondContact O-N 3.46Å; I116-E118 VanDerWaalsContact C-N 3.3Å; I116-E118 PolarHBondContact O-N 3.08Å; I116-I119 PolarHBondContact O-N 3.24Å; I116-V120 WeakPolarHBondContact O-CG2 3.34Å; I116-V120 PolarHBondContact O-N 3.48Å; I116-V120 VanDerWaalsContact O-N 3.13Å |
| 117 | P | 95.9 | Very high | 95.5 | Very high | 64 Ų | 64 | 61.5 Ų | 61.5 | 42% | 0.416 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.8 | -33.1 | 179 | 23.5 | -33 | 0 | 0 | 0 | 112.8 | L113 V114 V120 I121 | L113-P117 WeakPolarHBondContact O-CD 3.47Å; V114-P117 WeakPolarHBondContact O-CD 3.38Å; V114-P117 VanDerWaalsContact O-CG 3.24Å; V114-P117 WeakPolarHBondContact O-CG 3.38Å; P117-V120 PolarHBondContact O-N 3.38Å; P117-I121 WeakPolarHBondContact O-CB 3.38Å; P117-I121 WeakPolarHBondContact O-CD1 3.23Å; P117-I121 WeakPolarHBondContact O-CG1 3.46Å; P117-I121 PolarHBondContact O-N 2.8Å |
| 118 | E | 95.7 | Very high | 95.2 | Very high | 29 Ų | 29 | 68.8 Ų | 68.8 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 175.7 | -70.5 | -179.1 | 173.9 | 0 | 0 | 112 | V114 L115 I116 V120 I121 I122 L251 V255 Q258 | V114-E118 HydrophobicContact CG1-CG 4.39Å; V114-E118 WeakPolarHBondContact CG1-OE1 3.36Å; V114-E118 WeakPolarHBondContact O-CG 3.24Å; V114-E118 PolarHBondContact O-N 3.31Å; L115-E118 PolarHBondContact O-N 3.35Å; I116-E118 VanDerWaalsContact C-N 3.3Å; I116-E118 PolarHBondContact O-N 3.08Å; E118-V120 VanDerWaalsContact C-N 3.31Å; E118-V120 PolarHBondContact O-N 2.94Å; E118-I121 PolarHBondContact O-N 2.71Å; E118-I122 VanDerWaalsContact O-CG1 3.31Å; E118-I122 WeakPolarHBondContact O-CG1 3.32Å; E118-I122 PolarHBondContact O-N 3.37Å; E118-L251 HydrophobicContact CB-CD1 4.34Å; E118-L251 HydrophobicContact CG-CD1 3.98Å; E118-V255 HydrophobicContact CB-CG2 3.8Å; E118-V255 WeakPolarHBondContact OE2-CG2 3.43Å; E118-Q258 PolarHBondContact OE1-NE2 3.09Å; E118-Q258 VanDerWaalsContact OE2-CD 3.23Å; E118-Q258 PolarHBondContact OE2-NE2 3.12Å; E118-Q258 PolarHBondContact OE2-OE1 3.25Å |
| 119 | I | 96.3 | Very high | 94.6 | Very high | 67 Ų | 67 | 71.2 Ų | 71.2 | 34% | 0.344 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 176.7 | -69.3 | 171 | 0 | 0 | 0 | 110.6 | L115 I116 I122 I123 V255 | L115-I119 HydrophobicContact CD1-CD1 3.99Å; L115-I119 HydrophobicContact CD1-CG1 4.27Å; L115-I119 HydrophobicContact CD2-CD1 4.37Å; L115-I119 HydrophobicContact CG-CD1 3.81Å; L115-I119 HydrophobicContact CG-CG1 4.43Å; L115-I119 WeakPolarHBondContact O-CG1 3.3Å; L115-I119 PolarHBondContact O-N 3.14Å; I116-I119 PolarHBondContact O-N 3.24Å; I119-I122 PolarHBondContact O-N 3.4Å; I119-I123 HydrophobicContact CG2-CD1 3.59Å; I119-I123 HydrophobicContact CG2-CG1 4.3Å; I119-I123 WeakPolarHBondContact O-CB 3.3Å; I119-I123 VanDerWaalsContact O-CG1 3.23Å; I119-I123 WeakPolarHBondContact O-CG1 3.32Å; I119-I123 PolarHBondContact O-N 3.37Å; I119-V255 HydrophobicContact CG1-CG1 4.32Å |
| 120 | V | 95.4 | Very high | 94.4 | Very high | 82 Ų | 82 | 71.1 Ų | 71.1 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 176.8 | 174 | 0 | 0 | 0 | 0 | 111 | I116 P117 E118 I122 I123 V124 | I116-V120 WeakPolarHBondContact O-CG2 3.34Å; I116-V120 PolarHBondContact O-N 3.48Å; I116-V120 VanDerWaalsContact O-N 3.13Å; P117-V120 PolarHBondContact O-N 3.38Å; E118-V120 VanDerWaalsContact C-N 3.31Å; E118-V120 PolarHBondContact O-N 2.94Å; V120-I122 PolarHBondContact O-N 3.26Å; V120-I123 PolarHBondContact O-N 3.44Å; V120-V124 HydrophobicContact CG1-CG2 4.24Å; V120-V124 WeakPolarHBondContact O-CB 3.28Å; V120-V124 VanDerWaalsContact O-CG2 3.25Å; V120-V124 WeakPolarHBondContact O-CG2 3.4Å; V120-V124 PolarHBondContact O-N 3.05Å |
| 121 | I | 93.9 | Very high | 94 | Very high | 99 Ų | 99 | 71 Ų | 71 | 51% | 0.508 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 178.5 | -70.2 | 163.5 | 0 | 0 | 0 | 110.8 | P117 E118 V124 Y125 L251 | P117-I121 WeakPolarHBondContact O-CB 3.38Å; P117-I121 WeakPolarHBondContact O-CD1 3.23Å; P117-I121 WeakPolarHBondContact O-CG1 3.46Å; P117-I121 PolarHBondContact O-N 2.8Å; E118-I121 PolarHBondContact O-N 2.71Å; I121-V124 PolarHBondContact O-N 2.92Å; I121-Y125 VanDerWaalsContact O-CB 3.31Å; I121-Y125 WeakPolarHBondContact O-CB 3.46Å; I121-Y125 PolarHBondContact O-N 3.17Å; I121-L251 HydrophobicContact CB-CD2 4.31Å; I121-L251 HydrophobicContact CG2-CD2 3.84Å |
| 122 | I | 94.8 | Very high | 93.6 | Very high | 24 Ų | 24 | 72.5 Ų | 72.5 | 12% | 0.123 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 177.5 | -70.1 | 170.8 | 0 | 0 | 0 | 110.6 | E118 I119 V120 V124 Y125 F126 L251 V255 | E118-I122 VanDerWaalsContact O-CG1 3.31Å; E118-I122 WeakPolarHBondContact O-CG1 3.32Å; E118-I122 PolarHBondContact O-N 3.37Å; I119-I122 PolarHBondContact O-N 3.4Å; V120-I122 PolarHBondContact O-N 3.26Å; I122-V124 PolarHBondContact O-N 3.28Å; I122-Y125 PolarHBondContact O-N 2.92Å; I122-F126 HydrophobicContact CG2-CD2 3.71Å; I122-F126 HydrophobicContact CG2-CE2 3.84Å; I122-F126 VanDerWaalsContact O-CD2 3.26Å; I122-F126 WeakPolarHBondContact O-CD2 3.4Å; I122-F126 PolarHBondContact O-N 3.46Å; I122-L251 HydrophobicContact CD1-CB 4.37Å; I122-L251 HydrophobicContact CD1-CD2 4.28Å; I122-L251 HydrophobicContact CD1-CG 3.94Å; I122-L251 HydrophobicContact CG1-CB 4.27Å; I122-L251 HydrophobicContact CG1-CD2 3.64Å; I122-L251 HydrophobicContact CG1-CG 3.85Å; I122-V255 HydrophobicContact CD1-CB 4.37Å; I122-V255 HydrophobicContact CD1-CG2 3.66Å |
| 123 | I | 95.1 | Very high | 93.4 | Very high | 95 Ų | 95 | 70.6 Ų | 70.6 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | -179.1 | -69 | 168.6 | 0 | 0 | 0 | 110.3 | I119 V120 Y125 F126 C127 | I119-I123 HydrophobicContact CG2-CD1 3.59Å; I119-I123 HydrophobicContact CG2-CG1 4.3Å; I119-I123 WeakPolarHBondContact O-CB 3.3Å; I119-I123 VanDerWaalsContact O-CG1 3.23Å; I119-I123 WeakPolarHBondContact O-CG1 3.32Å; I119-I123 PolarHBondContact O-N 3.37Å; V120-I123 PolarHBondContact O-N 3.44Å; I123-Y125 VanDerWaalsContact C-N 3.33Å; I123-Y125 PolarHBondContact O-N 3.46Å; I123-F126 PolarHBondContact O-N 2.9Å; I123-C127 VanDerWaalsContact O-CB 3.22Å; I123-C127 WeakPolarHBondContact O-CB 3.15Å; I123-C127 PolarHBondContact O-N 3.2Å; I123-C127 PolarHBondContact O-SG 3.04Å; I123-C127 VanDerWaalsContact O-SG 3.36Å |
| 124 | V | 94.8 | Very high | 93.3 | Very high | 62 Ų | 62 | 69 Ų | 69 | 38% | 0.376 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 179.3 | 172 | 0 | 0 | 0 | 0 | 110.8 | V120 I121 I122 R128 I131 | V120-V124 HydrophobicContact CG1-CG2 4.24Å; V120-V124 WeakPolarHBondContact O-CB 3.28Å; V120-V124 VanDerWaalsContact O-CG2 3.25Å; V120-V124 WeakPolarHBondContact O-CG2 3.4Å; V120-V124 PolarHBondContact O-N 3.05Å; I121-V124 PolarHBondContact O-N 2.92Å; I122-V124 PolarHBondContact O-N 3.28Å; V124-R128 CarbonylContact O-C 3.54Å; V124-R128 WeakPolarHBondContact O-CA 3.37Å; V124-R128 PolarHBondContact O-N 3.47Å; V124-I131 HydrophobicContact CG1-CD1 3.84Å |
| 125 | Y | 93.6 | Very high | 93.1 | Very high | 31 Ų | 31 | 72.9 Ų | 72.9 | 12% | 0.122 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 179.1 | -177.9 | -99.2 | 0 | 0 | 0 | 112.5 | I121 I122 I123 S129 V132 G244 N245 A248 | I121-Y125 VanDerWaalsContact O-CB 3.31Å; I121-Y125 WeakPolarHBondContact O-CB 3.46Å; I121-Y125 PolarHBondContact O-N 3.17Å; I122-Y125 PolarHBondContact O-N 2.92Å; I123-Y125 VanDerWaalsContact C-N 3.33Å; I123-Y125 PolarHBondContact O-N 3.46Å; Y125-S129 WeakPolarHBondContact O-CA 3.3Å; Y125-S129 PolarHBondContact O-N 3.37Å; Y125-V132 HydrophobicContact CD2-CG2 3.75Å; Y125-V132 HydrophobicContact CE2-CG2 3.96Å; Y125-G244 VanDerWaalsContact CZ-C 3.48Å; Y125-G244 WeakPolarHBondContact OH-CA 3.27Å; Y125-N245 PolarHBondContact OH-N 3.34Å; Y125-N245 PolarHBondContact OH-OD1 3.43Å; Y125-A248 HydrophobicContact CD1-CB 3.49Å; Y125-A248 VanDerWaalsContact CD1-CB 3.49Å; Y125-A248 HydrophobicContact CE1-CB 3.52Å; Y125-A248 HydrophobicContact CG-CB 4.33Å |
| 126 | F | 93.3 | Very high | 92.9 | Very high | 103 Ų | 103 | 73.1 Ų | 73.1 | 45% | 0.452 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -77.7 | -30.7 | -178.3 | -75 | -65.8 | 0 | 0 | 0 | 113.6 | I122 I123 A248 | I122-F126 HydrophobicContact CG2-CD2 3.71Å; I122-F126 HydrophobicContact CG2-CE2 3.84Å; I122-F126 VanDerWaalsContact O-CD2 3.26Å; I122-F126 WeakPolarHBondContact O-CD2 3.4Å; I122-F126 PolarHBondContact O-N 3.46Å; I123-F126 PolarHBondContact O-N 2.9Å; F126-A248 HydrophobicContact CE2-CB 4.09Å; F126-A248 HydrophobicContact CZ-CB 3.85Å |
| 127 | C | 94.4 | Very high | 92.8 | Very high | 99 Ų | 99 | 73.4 Ų | 73.4 | 67% | 0.669 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -84.7 | -27.4 | 178.1 | -67.6 | 0 | 0 | 0 | 0 | 113.4 | I123 | I123-C127 VanDerWaalsContact O-CB 3.22Å; I123-C127 WeakPolarHBondContact O-CB 3.15Å; I123-C127 PolarHBondContact O-N 3.2Å; I123-C127 PolarHBondContact O-SG 3.04Å; I123-C127 VanDerWaalsContact O-SG 3.36Å |
| 128 | R | 92.3 | Very high | 92.6 | Very high | 155 Ų | 155 | 75 Ų | 75 | 59% | 0.585 | 39% | 0.389 | S | S | * | . | trans | -141.6 | 65 | -175.7 | -70.3 | -159.7 | 168.4 | -137.3 | -0.8 | 111.4 | V124 D130 I131 | V124-R128 CarbonylContact O-C 3.54Å; V124-R128 WeakPolarHBondContact O-CA 3.37Å; V124-R128 PolarHBondContact O-N 3.47Å; R128-D130 VanDerWaalsContact C-OD1 3.25Å; R128-D130 VanDerWaalsContact CA-OD1 3.28Å; R128-D130 WeakPolarHBondContact CA-OD1 3.43Å; R128-D130 WeakPolarHBondContact CB-OD1 3.42Å; R128-D130 PolarHBondContact O-N 2.93Å; R128-I131 HydrophobicContact CB-CD1 3.5Å; R128-I131 VanDerWaalsContact CB-CD1 3.5Å; R128-I131 HydrophobicContact CB-CG1 3.88Å; R128-I131 HydrophobicContact CG-CD1 4.25Å; R128-I131 WeakPolarHBondContact O-CB 3.47Å; R128-I131 PolarHBondContact O-N 3.1Å; R128-I131 VanDerWaalsContact O-N 3.12Å | ||
| 129 | S | 83.6 | Confident | 92.3 | Very high | 75 Ų | 75 | 77.8 Ų | 77.8 | 52% | 0.524 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22 | 178 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | Y125 I131 V132 | Y125-S129 WeakPolarHBondContact O-CA 3.3Å; Y125-S129 PolarHBondContact O-N 3.37Å; S129-I131 PolarHBondContact O-N 2.86Å; S129-V132 PolarHBondContact O-N 3.47Å |
| 130 | D | 90.3 | Very high | 92 | Very high | 80 Ų | 80 | 75.2 Ų | 75.2 | 43% | 0.428 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64 | -24.7 | 174.5 | 65.1 | -59.2 | 0 | 0 | 0 | 113.5 | R128 V132 T133 T134 | R128-D130 VanDerWaalsContact C-OD1 3.25Å; R128-D130 VanDerWaalsContact CA-OD1 3.28Å; R128-D130 WeakPolarHBondContact CA-OD1 3.43Å; R128-D130 WeakPolarHBondContact CB-OD1 3.42Å; R128-D130 PolarHBondContact O-N 2.93Å; D130-V132 VanDerWaalsContact C-N 3.33Å; D130-V132 PolarHBondContact O-N 3.34Å; D130-T133 WeakPolarHBondContact CA-OG1 3.4Å; D130-T133 PolarHBondContact O-N 3.42Å; D130-T133 PolarHBondContact O-OG1 3.07Å; D130-T133 VanDerWaalsContact O-OG1 3.04Å; D130-T134 WeakPolarHBondContact O-CB 3.15Å; D130-T134 PolarHBondContact O-N 3.29Å; D130-T134 PolarHBondContact O-OG1 2.8Å |
| 131 | I | 90.2 | Very high | 91.8 | Very high | 72 Ų | 72 | 74.2 Ų | 74.2 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 178.2 | -69.2 | 172.9 | 0 | 0 | 0 | 110.2 | V124 R128 S129 F135 | V124-I131 HydrophobicContact CG1-CD1 3.84Å; R128-I131 HydrophobicContact CB-CD1 3.5Å; R128-I131 VanDerWaalsContact CB-CD1 3.5Å; R128-I131 HydrophobicContact CB-CG1 3.88Å; R128-I131 HydrophobicContact CG-CD1 4.25Å; R128-I131 WeakPolarHBondContact O-CB 3.47Å; R128-I131 PolarHBondContact O-N 3.1Å; R128-I131 VanDerWaalsContact O-N 3.12Å; S129-I131 PolarHBondContact O-N 2.86Å; I131-F135 WeakPolarHBondContact O-CB 3.15Å; I131-F135 PolarHBondContact O-N 3.34Å |
| 132 | V | 87.6 | Confident | 91.6 | Very high | 48 Ų | 48 | 72 Ų | 72 | 29% | 0.291 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.9 | -42.7 | -177.8 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | Y125 S129 D130 S136 I240 | Y125-V132 HydrophobicContact CD2-CG2 3.75Å; Y125-V132 HydrophobicContact CE2-CG2 3.96Å; S129-V132 PolarHBondContact O-N 3.47Å; D130-V132 VanDerWaalsContact C-N 3.33Å; D130-V132 PolarHBondContact O-N 3.34Å; V132-S136 VanDerWaalsContact O-CB 3.26Å; V132-S136 WeakPolarHBondContact O-CB 3.33Å; V132-S136 PolarHBondContact O-N 3.05Å; V132-S136 PolarHBondContact O-OG 3.17Å; V132-I240 HydrophobicContact CG1-CG2 3.7Å |
| 133 | T | 91.5 | Very high | 91.2 | Very high | 20 Ų | 20 | 71.6 Ų | 71.6 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68 | -45.1 | 177.8 | 58.9 | 0 | 0 | 0 | 0 | 110.8 | D130 F135 S136 R137 W233 E237 I241 | D130-T133 WeakPolarHBondContact CA-OG1 3.4Å; D130-T133 PolarHBondContact O-N 3.42Å; D130-T133 PolarHBondContact O-OG1 3.07Å; D130-T133 VanDerWaalsContact O-OG1 3.04Å; T133-F135 PolarHBondContact O-N 3.19Å; T133-S136 PolarHBondContact O-N 3.09Å; T133-R137 WeakPolarHBondContact O-CB 3.31Å; T133-R137 PolarHBondContact O-N 3.02Å; T133-W233 WeakPolarHBondContact O-CH2 3.22Å; T133-W233 WeakPolarHBondContact O-CZ2 3.48Å; T133-E237 HydrophobicContact CG2-CG 4.22Å; T133-I241 HydrophobicContact CG2-CD1 4.44Å; T133-I241 HydrophobicContact CG2-CG1 4.14Å |
| 134 | T | 93.3 | Very high | 90.9 | Very high | 71 Ų | 71 | 67.1 Ų | 67.1 | 44% | 0.436 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 177.6 | -58.7 | 0 | 0 | 0 | 0 | 112 | D130 S136 R137 N138 | D130-T134 WeakPolarHBondContact O-CB 3.15Å; D130-T134 PolarHBondContact O-N 3.29Å; D130-T134 PolarHBondContact O-OG1 2.8Å; T134-S136 PolarHBondContact O-N 3.12Å; T134-R137 PolarHBondContact O-N 3.42Å; T134-N138 PolarHBondContact O-N 3.01Å; T134-N138 PolarHBondContact O-ND2 3.35Å |
| 135 | F | 91.7 | Very high | 90.5 | Very high | 132 Ų | 132 | 69.4 Ų | 69.4 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.7 | -46.6 | 177.6 | -179.7 | -104.9 | 0 | 0 | 0 | 111.5 | I131 T133 R137 N138 I139 | I131-F135 WeakPolarHBondContact O-CB 3.15Å; I131-F135 PolarHBondContact O-N 3.34Å; T133-F135 PolarHBondContact O-N 3.19Å; F135-R137 VanDerWaalsContact C-N 3.32Å; F135-R137 PolarHBondContact O-N 3.42Å; F135-N138 PolarHBondContact O-N 2.96Å; F135-I139 HydrophobicContact CD1-CD1 3.76Å; F135-I139 HydrophobicContact CE1-CD1 3.27Å; F135-I139 HydrophobicContact CE1-CG1 4.35Å; F135-I139 HydrophobicContact CE2-CD1 4.4Å; F135-I139 HydrophobicContact CZ-CD1 3.64Å; F135-I139 HydrophobicContact CZ-CG1 4.41Å; F135-I139 PolarHBondContact O-N 3.14Å |
| 136 | S | 90.8 | Very high | 90 | Very high | 29 Ų | 29 | 74.9 Ų | 74.9 | 20% | 0.203 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 178.3 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | V132 T133 T134 N138 I139 F140 | V132-S136 VanDerWaalsContact O-CB 3.26Å; V132-S136 WeakPolarHBondContact O-CB 3.33Å; V132-S136 PolarHBondContact O-N 3.05Å; V132-S136 PolarHBondContact O-OG 3.17Å; T133-S136 PolarHBondContact O-N 3.09Å; T134-S136 PolarHBondContact O-N 3.12Å; S136-N138 VanDerWaalsContact C-N 3.34Å; S136-N138 PolarHBondContact O-N 2.89Å; S136-I139 PolarHBondContact O-N 3.07Å; S136-F140 WeakPolarHBondContact O-CB 3.47Å; S136-F140 PolarHBondContact O-N 2.89Å |
| 137 | R | 93.8 | Very high | 89.6 | Confident | 104 Ų | 104 | 70.1 Ų | 70.1 | 39% | 0.392 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 174.7 | -161 | 172.2 | -178.8 | -149.3 | 0.3 | 111.4 | T133 T134 F135 F140 N141 W233 | T133-R137 WeakPolarHBondContact O-CB 3.31Å; T133-R137 PolarHBondContact O-N 3.02Å; T134-R137 PolarHBondContact O-N 3.42Å; F135-R137 VanDerWaalsContact C-N 3.32Å; F135-R137 PolarHBondContact O-N 3.42Å; R137-F140 PolarHBondContact O-N 3.32Å; R137-N141 WeakPolarHBondContact O-CB 3.23Å; R137-N141 PolarHBondContact O-N 3.45Å; R137-W233 VanDerWaalsContact CA-CH2 3.41Å; R137-W233 HydrophobicContact CB-CD2 4.36Å; R137-W233 HydrophobicContact CB-CE3 4.07Å; R137-W233 HydrophobicContact CB-CH2 3.33Å; R137-W233 HydrophobicContact CB-CZ2 3.6Å; R137-W233 HydrophobicContact CB-CZ3 3.58Å; R137-W233 HydrophobicContact CG-CD2 3.83Å; R137-W233 HydrophobicContact CG-CE3 3.77Å; R137-W233 HydrophobicContact CG-CH2 3.92Å; R137-W233 HydrophobicContact CG-CZ2 3.92Å; R137-W233 HydrophobicContact CG-CZ3 3.83Å; R137-W233 VanDerWaalsContact N-CH2 3.27Å |
| 138 | N | 93 | Very high | 88.9 | Confident | 98 Ų | 98 | 68 Ų | 68 | 52% | 0.524 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 178.3 | -68.7 | -19 | 0 | 0 | 0 | 111.8 | T134 F135 S136 N141 S142 | T134-N138 PolarHBondContact O-N 3.01Å; T134-N138 PolarHBondContact O-ND2 3.35Å; F135-N138 PolarHBondContact O-N 2.96Å; S136-N138 VanDerWaalsContact C-N 3.34Å; S136-N138 PolarHBondContact O-N 2.89Å; N138-N141 PolarHBondContact O-N 3.4Å; N138-S142 WeakPolarHBondContact O-CB 3.36Å; N138-S142 PolarHBondContact O-N 2.87Å |
| 139 | I | 89.1 | Confident | 88.2 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 45% | 0.446 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 173.5 | -71 | 171.3 | 0 | 0 | 0 | 110.8 | F135 S136 S142 S143 | F135-I139 HydrophobicContact CD1-CD1 3.76Å; F135-I139 HydrophobicContact CE1-CD1 3.27Å; F135-I139 HydrophobicContact CE1-CG1 4.35Å; F135-I139 HydrophobicContact CE2-CD1 4.4Å; F135-I139 HydrophobicContact CZ-CD1 3.64Å; F135-I139 HydrophobicContact CZ-CG1 4.41Å; F135-I139 PolarHBondContact O-N 3.14Å; S136-I139 PolarHBondContact O-N 3.07Å; I139-S142 PolarHBondContact O-N 3.49Å; I139-S143 PolarHBondContact O-N 3.01Å; I139-S143 PolarHBondContact O-OG 2.89Å |
| 140 | F | 90.2 | Very high | 87.8 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.5 | -40.6 | -179.7 | -167 | -103.9 | 0 | 0 | 0 | 111.4 | S136 R137 S143 I144 L160 I163 I172 C232 I236 | S136-F140 WeakPolarHBondContact O-CB 3.47Å; S136-F140 PolarHBondContact O-N 2.89Å; R137-F140 PolarHBondContact O-N 3.32Å; F140-S143 WeakPolarHBondContact O-CB 3.43Å; F140-S143 PolarHBondContact O-N 3.43Å; F140-I144 HydrophobicContact CD1-CD1 4.32Å; F140-I144 HydrophobicContact CE1-CD1 4.03Å; F140-I144 PolarHBondContact O-N 2.83Å; F140-L160 HydrophobicContact CD2-CD1 4.13Å; F140-L160 HydrophobicContact CE1-CD1 4.16Å; F140-L160 HydrophobicContact CE2-CD1 3.28Å; F140-L160 HydrophobicContact CZ-CD1 3.3Å; F140-I163 HydrophobicContact CE2-CD1 4.16Å; F140-I163 HydrophobicContact CE2-CG2 4.05Å; F140-I163 HydrophobicContact CZ-CG2 4.41Å; F140-I172 HydrophobicContact CD1-CD1 4.43Å; F140-I172 HydrophobicContact CD1-CG1 3.47Å; F140-I172 VanDerWaalsContact CD1-CG1 3.47Å; F140-I172 HydrophobicContact CE1-CG1 3.82Å; F140-C232 HydrophobicContact CE1-CB 4.11Å; F140-C232 HydrophobicContact CZ-CB 3.89Å; F140-I236 HydrophobicContact CD1-CD1 4.33Å; F140-I236 HydrophobicContact CD2-CD1 3.84Å; F140-I236 HydrophobicContact CE1-CD1 4.01Å; F140-I236 HydrophobicContact CE2-CD1 3.46Å; F140-I236 VanDerWaalsContact CE2-CD1 3.46Å; F140-I236 HydrophobicContact CG-CD1 4.26Å; F140-I236 HydrophobicContact CZ-CD1 3.55Å |
| 141 | N | 91.8 | Very high | 86.9 | Confident | 61 Ų | 61 | 62.1 Ų | 62.1 | 33% | 0.326 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 172.8 | -168.7 | 57.9 | 0 | 0 | 0 | 112.7 | R137 N138 S143 I144 H145 I172 | R137-N141 WeakPolarHBondContact O-CB 3.23Å; R137-N141 PolarHBondContact O-N 3.45Å; N138-N141 PolarHBondContact O-N 3.4Å; N141-S143 VanDerWaalsContact C-N 3.26Å; N141-S143 PolarHBondContact O-N 3.46Å; N141-I144 PolarHBondContact O-N 3.39Å; N141-H145 PolarHBondContact ND2-CD2 3.41Å; N141-H145 PolarHBondContact ND2-NE2 3.39Å; N141-H145 PolarHBondContact O-CD2 2.89Å; N141-H145 PolarHBondContact O-N 3.05Å; N141-I172 HydrophobicContact CB-CD1 3.64Å; N141-I172 WeakPolarHBondContact OD1-CD1 3.21Å |
| 142 | S | 88.3 | Confident | 85.9 | Confident | 51 Ų | 51 | 59 Ų | 59 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 174.2 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | N138 I139 H145 R146 | N138-S142 WeakPolarHBondContact O-CB 3.36Å; N138-S142 PolarHBondContact O-N 2.87Å; I139-S142 PolarHBondContact O-N 3.49Å; S142-H145 PolarHBondContact O-N 3.32Å; S142-R146 WeakPolarHBondContact O-CG 2.99Å; S142-R146 PolarHBondContact O-N 2.88Å |
| 143 | S | 86.8 | Confident | 84.8 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 176.6 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | I139 F140 N141 R146 Y147 H156 | I139-S143 PolarHBondContact O-N 3.01Å; I139-S143 PolarHBondContact O-OG 2.89Å; F140-S143 WeakPolarHBondContact O-CB 3.43Å; F140-S143 PolarHBondContact O-N 3.43Å; N141-S143 VanDerWaalsContact C-N 3.26Å; N141-S143 PolarHBondContact O-N 3.46Å; S143-R146 PolarHBondContact O-N 3.31Å; S143-Y147 PolarHBondContact O-N 3.07Å; S143-Y147 VanDerWaalsContact O-N 3.17Å; S143-H156 PolarHBondContact OG-ND1 2.99Å |
| 144 | I | 89 | Confident | 83.8 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -47 | 171.7 | -70.9 | -179.8 | 0 | 0 | 0 | 110.7 | F140 N141 R146 Y147 L160 I172 D177 F178 V181 | F140-I144 HydrophobicContact CD1-CD1 4.32Å; F140-I144 HydrophobicContact CE1-CD1 4.03Å; F140-I144 PolarHBondContact O-N 2.83Å; N141-I144 PolarHBondContact O-N 3.39Å; I144-R146 PolarHBondContact O-N 3.13Å; I144-Y147 WeakPolarHBondContact O-CB 3.16Å; I144-Y147 PolarHBondContact O-N 2.94Å; I144-L160 HydrophobicContact CG1-CD1 4.18Å; I144-L160 HydrophobicContact CG1-CD2 3.88Å; I144-I172 HydrophobicContact CD1-CB 4.35Å; I144-I172 HydrophobicContact CD1-CD1 3.8Å; I144-I172 HydrophobicContact CD1-CG1 3.58Å; I144-D177 HydrophobicContact CD1-CB 4.24Å; I144-F178 HydrophobicContact CG1-CE1 4.32Å; I144-F178 HydrophobicContact CG1-CZ 4.32Å; I144-F178 HydrophobicContact CG2-CD1 4.08Å; I144-F178 HydrophobicContact CG2-CE1 4Å; I144-V181 HydrophobicContact CG2-CG2 3.82Å; I144-V181 WeakPolarHBondContact O-CG1 3.15Å; I144-V181 WeakPolarHBondContact O-CG2 3.37Å |
| 145 | H | 86.8 | Confident | 82.8 | Confident | 111 Ų | 111 | 58.5 Ų | 58.5 | 51% | 0.514 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.7 | -24.2 | 179.3 | -73.7 | -61.5 | 0 | 0 | 0 | 114.1 | N141 S142 | N141-H145 PolarHBondContact ND2-CD2 3.41Å; N141-H145 PolarHBondContact ND2-NE2 3.39Å; N141-H145 PolarHBondContact O-CD2 2.89Å; N141-H145 PolarHBondContact O-N 3.05Å; S142-H145 PolarHBondContact O-N 3.32Å |
| 146 | R | 83.2 | Confident | 82.2 | Confident | 145 Ų | 145 | 54.2 Ų | 54.2 | 55% | 0.547 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -0.2 | 175.3 | -71.4 | -179.8 | 171.3 | -168 | -3.7 | 113.5 | S142 S143 I144 I148 H156 | S142-R146 WeakPolarHBondContact O-CG 2.99Å; S142-R146 PolarHBondContact O-N 2.88Å; S143-R146 PolarHBondContact O-N 3.31Å; I144-R146 PolarHBondContact O-N 3.13Å; R146-I148 WeakPolarHBondContact O-CG1 3.36Å; R146-I148 PolarHBondContact O-N 3.25Å; R146-H156 HydrophobicContact CB-CB 4.29Å; R146-H156 PolarHBondContact NH1-NE2 3.34Å |
| 147 | Y | 83.8 | Confident | 81.7 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | trans | -64 | 123.1 | -176.2 | -174 | -97.4 | 0 | 0 | 0 | 112.1 | S143 I144 Y150 L160 N161 F178 M183 P200 | S143-Y147 PolarHBondContact O-N 3.07Å; S143-Y147 VanDerWaalsContact O-N 3.17Å; I144-Y147 WeakPolarHBondContact O-CB 3.16Å; I144-Y147 PolarHBondContact O-N 2.94Å; Y147-Y150 PolarHBondContact OH-N 3.41Å; Y147-L160 HydrophobicContact CD2-CB 4.38Å; Y147-L160 HydrophobicContact CD2-CD2 3.61Å; Y147-L160 HydrophobicContact CD2-CG 4.49Å; Y147-L160 HydrophobicContact CE2-CD2 4.3Å; Y147-L160 HydrophobicContact CG-CD2 4.17Å; Y147-N161 WeakPolarHBondContact CE2-OD1 3.33Å; Y147-N161 PolarHBondContact OH-OD1 2.9Å; Y147-F178 HydrophobicContact CD1-CD1 4.31Å; Y147-F178 HydrophobicContact CD1-CE1 4.17Å; Y147-F178 HydrophobicContact CD2-CE1 4.49Å; Y147-F178 HydrophobicContact CG-CE1 4.02Å; Y147-M183 HydrophobicContact CD1-CE 4.35Å; Y147-M183 HydrophobicContact CD1-CG 3.96Å; Y147-M183 HydrophobicContact CD1-SD 3.75Å; Y147-M183 HydrophobicContact CE1-CE 4.31Å; Y147-M183 HydrophobicContact CE1-CG 4.32Å; Y147-M183 HydrophobicContact CE1-SD 3.54Å; Y147-M183 VanDerWaalsContact CE1-SD 3.54Å; Y147-P200 HydrophobicContact CD1-CG 4.28Å; Y147-P200 HydrophobicContact CE1-CB 4.03Å; Y147-P200 HydrophobicContact CE1-CG 3.71Å; Y147-P200 WeakPolarHBondContact OH-CB 3.4Å | ||
| 148 | I | 80.2 | Confident | 81 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 28% | 0.277 | 26% | 0.264 | S | S | . | . | trans | -101.1 | -41.9 | -176.3 | -57.6 | -173.4 | 0 | 0 | 0 | 111.1 | R146 S152 D154 S157 T184 K185 | R146-I148 WeakPolarHBondContact O-CG1 3.36Å; R146-I148 PolarHBondContact O-N 3.25Å; I148-S152 WeakPolarHBondContact CB-OG 3.25Å; I148-D154 HydrophobicContact CD1-CB 3.88Å; I148-D154 HydrophobicContact CG1-CB 4.45Å; I148-S157 PolarHBondContact N-OG 3.43Å; I148-T184 PolarHBondContact O-N 3.42Å; I148-K185 HydrophobicContact CG2-CG 4.28Å; I148-K185 PolarHBondContact O-N 2.95Å | ||
| 149 | G | 77.1 | Confident | 80.5 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 6% | 0.062 | 25% | 0.254 | C | S | . | . | trans | 161.9 | 177.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S152 S157 | G149-S152 WeakPolarHBondContact O-CB 3.31Å; G149-S152 PolarHBondContact O-N 2.86Å; G149-S157 WeakPolarHBondContact O-CB 3.23Å | ||
| 150 | Y | 76.4 | Confident | 80.4 | Confident | 67 Ų | 67 | 46.4 Ų | 46.4 | 26% | 0.263 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -55.6 | -175.4 | -173.2 | -98.4 | 0 | 0 | 0 | 112.8 | Y147 S152 N161 I165 I201 M206 | Y147-Y150 PolarHBondContact OH-N 3.41Å; Y150-S152 PolarHBondContact O-N 3.49Å; Y150-S152 VanDerWaalsContact O-N 3.17Å; Y150-N161 VanDerWaalsContact CA-ND2 3.35Å; Y150-N161 WeakPolarHBondContact CA-ND2 3.44Å; Y150-N161 HydrophobicContact CD2-CB 4.37Å; Y150-N161 PolarHBondContact O-ND2 2.76Å; Y150-I165 HydrophobicContact CE2-CD1 4.21Å; Y150-I201 HydrophobicContact CD2-CB 4.25Å; Y150-I201 HydrophobicContact CG-CB 4.42Å; Y150-M206 HydrophobicContact CE2-CE 4.21Å |
| 151 | D | 70.9 | Confident | 80.2 | Confident | 114 Ų | 114 | 46.1 Ų | 46.1 | 61% | 0.61 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | 27.1 | 178 | -55.8 | -53.3 | 0 | 0 | 0 | 112.9 | K185 | D151-K185 VanDerWaalsContact C-NZ 3.34Å; D151-K185 PolarHBondContact O-NZ 3.33Å |
| 152 | S | 67.9 | Low | 79.8 | Confident | 7 Ų | 7 | 47 Ų | 47 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | trans | -75 | 133.9 | 176.3 | -166.9 | 0 | 0 | 0 | 0 | 109.7 | I148 G149 Y150 D154 | I148-S152 WeakPolarHBondContact CB-OG 3.25Å; G149-S152 WeakPolarHBondContact O-CB 3.31Å; G149-S152 PolarHBondContact O-N 2.86Å; Y150-S152 PolarHBondContact O-N 3.49Å; Y150-S152 VanDerWaalsContact O-N 3.17Å; S152-D154 PolarHBondContact O-N 3.25Å; S152-D154 WeakPolarHBondContact OG-CB 3.42Å; S152-D154 PolarHBondContact OG-N 3.47Å | ||
| 153 | P | 64.4 | Low | 79.8 | Confident | 54 Ų | 54 | 47.2 Ų | 47.2 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | trans | -68.8 | -10.3 | 170.1 | 28.3 | -33.3 | 0 | 0 | 0 | 113.2 | N66 I155 | N66-P153 HydrophobicContact CB-CB 3.92Å; N66-P153 WeakPolarHBondContact CB-O 3.47Å; N66-P153 WeakPolarHBondContact ND2-CB 3.49Å; P153-I155 PolarHBondContact O-N 3.32Å | ||
| 154 | D | 71.2 | Confident | 79.9 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 18% | 0.176 | 23% | 0.226 | C | C | . | . | trans | -63 | 128.8 | 177.8 | 166.5 | 71 | 0 | 0 | 0 | 111.7 | I148 S152 H156 S157 Y158 | I148-D154 HydrophobicContact CD1-CB 3.88Å; I148-D154 HydrophobicContact CG1-CB 4.45Å; S152-D154 PolarHBondContact O-N 3.25Å; S152-D154 WeakPolarHBondContact OG-CB 3.42Å; S152-D154 PolarHBondContact OG-N 3.47Å; D154-H156 VanDerWaalsContact C-N 3.29Å; D154-H156 PolarHBondContact O-N 3.31Å; D154-H156 IonicContact OD1-CD2 2.71Å; D154-H156 WeakPolarHBondContact OD2-CB 3.43Å; D154-H156 PolarHBondContact OD2-N 3.26Å; D154-S157 WeakPolarHBondContact O-CB 3.24Å; D154-S157 PolarHBondContact O-N 3.33Å; D154-S157 WeakPolarHBondContact OD2-CB 3.36Å; D154-S157 PolarHBondContact OD2-N 2.73Å; D154-S157 PolarHBondContact OD2-OG 3.41Å; D154-Y158 PolarHBondContact O-N 2.92Å | ||
| 155 | I | 72.7 | Confident | 79.8 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 21% | 0.205 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -35 | -176.3 | -170.3 | 62.6 | 0 | 0 | 0 | 112.3 | E70 P153 S157 Y158 A159 | E70-I155 HydrophobicContact CB-CB 3.89Å; E70-I155 HydrophobicContact CB-CG1 4.17Å; E70-I155 HydrophobicContact CB-CG2 3.88Å; E70-I155 HydrophobicContact CG-CB 3.85Å; E70-I155 HydrophobicContact CG-CG2 3.61Å; P153-I155 PolarHBondContact O-N 3.32Å; I155-S157 VanDerWaalsContact C-N 3.33Å; I155-S157 PolarHBondContact O-N 3.49Å; I155-Y158 HydrophobicContact CD1-CD1 4.42Å; I155-Y158 PolarHBondContact O-N 3.43Å; I155-A159 WeakPolarHBondContact O-CB 3.4Å; I155-A159 PolarHBondContact O-N 3.34Å |
| 156 | H | 78 | Confident | 79.8 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 20% | 0.199 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 178.5 | -63.3 | -71.1 | 0 | 0 | 0 | 110.3 | S143 R146 D154 L160 | S143-H156 PolarHBondContact OG-ND1 2.99Å; R146-H156 HydrophobicContact CB-CB 4.29Å; R146-H156 PolarHBondContact NH1-NE2 3.34Å; D154-H156 VanDerWaalsContact C-N 3.29Å; D154-H156 PolarHBondContact O-N 3.31Å; D154-H156 IonicContact OD1-CD2 2.71Å; D154-H156 WeakPolarHBondContact OD2-CB 3.43Å; D154-H156 PolarHBondContact OD2-N 3.26Å; H156-L160 WeakPolarHBondContact O-CB 3.26Å; H156-L160 PolarHBondContact O-N 3.05Å |
| 157 | S | 81.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -48.3 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | I148 G149 D154 I155 L160 N161 | I148-S157 PolarHBondContact N-OG 3.43Å; G149-S157 WeakPolarHBondContact O-CB 3.23Å; D154-S157 WeakPolarHBondContact O-CB 3.24Å; D154-S157 PolarHBondContact O-N 3.33Å; D154-S157 WeakPolarHBondContact OD2-CB 3.36Å; D154-S157 PolarHBondContact OD2-N 2.73Å; D154-S157 PolarHBondContact OD2-OG 3.41Å; I155-S157 VanDerWaalsContact C-N 3.33Å; I155-S157 PolarHBondContact O-N 3.49Å; S157-L160 PolarHBondContact O-N 2.9Å; S157-N161 WeakPolarHBondContact O-CB 3.41Å; S157-N161 PolarHBondContact O-N 3.29Å; S157-N161 PolarHBondContact O-ND2 3.46Å |
| 158 | Y | 78.9 | Confident | 80.5 | Confident | 112 Ų | 112 | 47.3 Ų | 47.3 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.9 | -51.4 | 178.2 | 178.3 | -96.2 | 0 | 0 | 0 | 112.4 | D154 I155 L160 N161 H162 | D154-Y158 PolarHBondContact O-N 2.92Å; I155-Y158 HydrophobicContact CD1-CD1 4.42Å; I155-Y158 PolarHBondContact O-N 3.43Å; Y158-L160 VanDerWaalsContact C-N 3.33Å; Y158-L160 PolarHBondContact O-N 2.9Å; Y158-N161 PolarHBondContact O-N 3.47Å; Y158-H162 WeakPolarHBondContact O-CB 3.37Å; Y158-H162 PolarHBondContact O-N 3.48Å |
| 159 | A | 82.2 | Confident | 81.2 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I155 H162 I163 | I155-A159 WeakPolarHBondContact O-CB 3.4Å; I155-A159 PolarHBondContact O-N 3.34Å; A159-H162 PolarHBondContact O-N 3.47Å; A159-I163 WeakPolarHBondContact O-CB 3.39Å; A159-I163 WeakPolarHBondContact O-CG1 3.45Å; A159-I163 PolarHBondContact O-N 3.32Å |
| 160 | L | 87.4 | Confident | 82 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 179.2 | -169.5 | 68.1 | 0 | 0 | 0 | 112 | F140 I144 Y147 H156 S157 Y158 H162 I163 M164 F178 | F140-L160 HydrophobicContact CD2-CD1 4.13Å; F140-L160 HydrophobicContact CE1-CD1 4.16Å; F140-L160 HydrophobicContact CE2-CD1 3.28Å; F140-L160 HydrophobicContact CZ-CD1 3.3Å; I144-L160 HydrophobicContact CG1-CD1 4.18Å; I144-L160 HydrophobicContact CG1-CD2 3.88Å; Y147-L160 HydrophobicContact CD2-CB 4.38Å; Y147-L160 HydrophobicContact CD2-CD2 3.61Å; Y147-L160 HydrophobicContact CD2-CG 4.49Å; Y147-L160 HydrophobicContact CE2-CD2 4.3Å; Y147-L160 HydrophobicContact CG-CD2 4.17Å; H156-L160 WeakPolarHBondContact O-CB 3.26Å; H156-L160 PolarHBondContact O-N 3.05Å; S157-L160 PolarHBondContact O-N 2.9Å; Y158-L160 VanDerWaalsContact C-N 3.33Å; Y158-L160 PolarHBondContact O-N 2.9Å; L160-H162 VanDerWaalsContact C-N 3.31Å; L160-H162 PolarHBondContact O-N 3.12Å; L160-I163 PolarHBondContact O-N 3.21Å; L160-M164 HydrophobicContact CD2-CE 4.14Å; L160-M164 HydrophobicContact CG-CE 3.78Å; L160-M164 WeakPolarHBondContact O-CB 3.37Å; L160-M164 VanDerWaalsContact O-CG 3.29Å; L160-M164 WeakPolarHBondContact O-CG 3.42Å; L160-M164 PolarHBondContact O-N 2.94Å; L160-F178 HydrophobicContact CD2-CE1 3.7Å; L160-F178 HydrophobicContact CD2-CZ 3.71Å; L160-F178 HydrophobicContact CG-CZ 4.49Å |
| 161 | N | 84.9 | Confident | 82.8 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.6 | -46.8 | 173.5 | -68.3 | -34.8 | 0 | 0 | 0 | 110.8 | Y147 Y150 S157 Y158 M164 I165 S202 | Y147-N161 WeakPolarHBondContact CE2-OD1 3.33Å; Y147-N161 PolarHBondContact OH-OD1 2.9Å; Y150-N161 VanDerWaalsContact CA-ND2 3.35Å; Y150-N161 WeakPolarHBondContact CA-ND2 3.44Å; Y150-N161 HydrophobicContact CD2-CB 4.37Å; Y150-N161 PolarHBondContact O-ND2 2.76Å; S157-N161 WeakPolarHBondContact O-CB 3.41Å; S157-N161 PolarHBondContact O-N 3.29Å; S157-N161 PolarHBondContact O-ND2 3.46Å; Y158-N161 PolarHBondContact O-N 3.47Å; N161-M164 PolarHBondContact O-N 3.4Å; N161-I165 WeakPolarHBondContact O-CD1 3.29Å; N161-I165 WeakPolarHBondContact O-CG1 3.4Å; N161-I165 PolarHBondContact O-N 3.3Å; N161-S202 PolarHBondContact OD1-OG 2.81Å; N161-S202 VanDerWaalsContact OD1-OG 3.12Å |
| 162 | H | 83.8 | Confident | 83.9 | Confident | 80 Ų | 80 | 36 Ų | 36 | 37% | 0.37 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.9 | -45.2 | -179.5 | -168 | 73.7 | 0 | 0 | 0 | 112 | Y158 A159 L160 M164 I165 Q166 | Y158-H162 WeakPolarHBondContact O-CB 3.37Å; Y158-H162 PolarHBondContact O-N 3.48Å; A159-H162 PolarHBondContact O-N 3.47Å; L160-H162 VanDerWaalsContact C-N 3.31Å; L160-H162 PolarHBondContact O-N 3.12Å; H162-M164 PolarHBondContact O-N 3.04Å; H162-I165 PolarHBondContact O-N 3.38Å; H162-Q166 WeakPolarHBondContact O-CB 3.33Å; H162-Q166 VanDerWaalsContact O-CG 3.23Å; H162-Q166 WeakPolarHBondContact O-CG 3.09Å; H162-Q166 PolarHBondContact O-N 3.26Å |
| 163 | I | 87.7 | Confident | 85.1 | Confident | 54 Ų | 54 | 39.5 Ų | 39.5 | 28% | 0.277 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.6 | -47 | 176.2 | -71.1 | 166.4 | 0 | 0 | 0 | 110.7 | F140 A159 L160 I165 Q166 L167 I236 | F140-I163 HydrophobicContact CE2-CD1 4.16Å; F140-I163 HydrophobicContact CE2-CG2 4.05Å; F140-I163 HydrophobicContact CZ-CG2 4.41Å; A159-I163 WeakPolarHBondContact O-CB 3.39Å; A159-I163 WeakPolarHBondContact O-CG1 3.45Å; A159-I163 PolarHBondContact O-N 3.32Å; L160-I163 PolarHBondContact O-N 3.21Å; I163-I165 PolarHBondContact O-N 3.02Å; I163-Q166 PolarHBondContact O-N 3.35Å; I163-L167 HydrophobicContact CG2-CD1 3.85Å; I163-L167 HydrophobicContact CG2-CG 4.42Å; I163-L167 VanDerWaalsContact O-CB 3.25Å; I163-L167 WeakPolarHBondContact O-CB 3.47Å; I163-L167 WeakPolarHBondContact O-CG 3.44Å; I163-L167 PolarHBondContact O-N 3.17Å; I163-I236 HydrophobicContact CG2-CD1 3.84Å; I163-I236 HydrophobicContact CG2-CG1 4.3Å |
| 164 | M | 90.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | -179.9 | -74.7 | -168 | -73.9 | 0 | 0 | 112.5 | L160 N161 H162 Q168 C169 F178 P200 S202 C203 | L160-M164 HydrophobicContact CD2-CE 4.14Å; L160-M164 HydrophobicContact CG-CE 3.78Å; L160-M164 WeakPolarHBondContact O-CB 3.37Å; L160-M164 VanDerWaalsContact O-CG 3.29Å; L160-M164 WeakPolarHBondContact O-CG 3.42Å; L160-M164 PolarHBondContact O-N 2.94Å; N161-M164 PolarHBondContact O-N 3.4Å; H162-M164 PolarHBondContact O-N 3.04Å; M164-Q168 WeakPolarHBondContact O-CA 3.46Å; M164-Q168 PolarHBondContact O-N 2.95Å; M164-C169 WeakPolarHBondContact CA-O 3.43Å; M164-C169 VanDerWaalsContact CB-O 3.26Å; M164-C169 WeakPolarHBondContact CB-O 3.35Å; M164-C169 WeakPolarHBondContact CG-O 3.18Å; M164-C169 PolarHBondContact O-N 2.81Å; M164-F178 HydrophobicContact CE-CE2 4.27Å; M164-F178 HydrophobicContact CE-CZ 3.73Å; M164-F178 HydrophobicContact SD-CE2 3.77Å; M164-F178 HydrophobicContact SD-CZ 3.71Å; M164-P200 HydrophobicContact CE-CB 3.87Å; M164-P200 HydrophobicContact CE-CG 4Å; M164-S202 WeakPolarHBondContact CE-OG 3.41Å; M164-C203 VanDerWaalsContact SD-SG 3.64Å |
| 165 | I | 86.8 | Confident | 87.5 | Confident | 16 Ų | 16 | 38 Ų | 38 | 8% | 0.082 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.4 | -54.4 | 177 | -66.4 | 165.8 | 0 | 0 | 0 | 110.7 | Y150 N161 H162 I163 L167 Q168 M206 | Y150-I165 HydrophobicContact CE2-CD1 4.21Å; N161-I165 WeakPolarHBondContact O-CD1 3.29Å; N161-I165 WeakPolarHBondContact O-CG1 3.4Å; N161-I165 PolarHBondContact O-N 3.3Å; H162-I165 PolarHBondContact O-N 3.38Å; I163-I165 PolarHBondContact O-N 3.02Å; I165-L167 VanDerWaalsContact C-N 3.34Å; I165-L167 PolarHBondContact O-N 2.82Å; I165-Q168 PolarHBondContact O-N 3.35Å; I165-M206 HydrophobicContact CD1-SD 3.5Å; I165-M206 VanDerWaalsContact CD1-SD 3.5Å; I165-M206 HydrophobicContact CG1-SD 3.56Å; I165-M206 VanDerWaalsContact CG1-SD 3.56Å; I165-M206 HydrophobicContact CG2-CB 4.33Å; I165-M206 HydrophobicContact CG2-SD 4.43Å |
| 166 | Q | 86.6 | Confident | 88.3 | Confident | 120 Ų | 120 | 38.6 Ų | 38.6 | 56% | 0.561 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -64.7 | -39 | -174.3 | -69.9 | -62.3 | -32 | 0 | 0 | 112.2 | H162 I163 | H162-Q166 WeakPolarHBondContact O-CB 3.33Å; H162-Q166 VanDerWaalsContact O-CG 3.23Å; H162-Q166 WeakPolarHBondContact O-CG 3.09Å; H162-Q166 PolarHBondContact O-N 3.26Å; I163-Q166 PolarHBondContact O-N 3.35Å |
| 167 | L | 90 | Very high | 89 | Confident | 32 Ų | 32 | 38.1 Ų | 38.1 | 17% | 0.168 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -90.4 | -1.4 | 179.5 | -60.5 | -174.7 | 0 | 0 | 0 | 112.9 | I163 I165 C169 K235 I236 Y239 | I163-L167 HydrophobicContact CG2-CD1 3.85Å; I163-L167 HydrophobicContact CG2-CG 4.42Å; I163-L167 VanDerWaalsContact O-CB 3.25Å; I163-L167 WeakPolarHBondContact O-CB 3.47Å; I163-L167 WeakPolarHBondContact O-CG 3.44Å; I163-L167 PolarHBondContact O-N 3.17Å; I165-L167 VanDerWaalsContact C-N 3.34Å; I165-L167 PolarHBondContact O-N 2.82Å; L167-C169 VanDerWaalsContact CB-SG 3.57Å; L167-C169 PolarHBondContact O-N 2.82Å; L167-K235 HydrophobicContact CB-CD 4.16Å; L167-K235 HydrophobicContact CD1-CB 4.22Å; L167-K235 WeakPolarHBondContact O-CD 3.26Å; L167-K235 WeakPolarHBondContact O-CE 3.14Å; L167-K235 PolarHBondContact O-NZ 3.48Å; L167-I236 HydrophobicContact CD1-CD1 4.47Å; L167-I236 HydrophobicContact CD1-CG1 3.6Å; L167-Y239 HydrophobicContact CD2-CD2 4.31Å; L167-Y239 HydrophobicContact CD2-CE2 3.68Å |
| 168 | Q | 90.9 | Very high | 89.3 | Confident | 111 Ų | 111 | 38.2 Ų | 38.2 | 52% | 0.519 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 60.9 | -177.3 | -60.1 | 179.9 | -36.7 | 0 | 0 | 111.5 | M164 I165 K235 | M164-Q168 WeakPolarHBondContact O-CA 3.46Å; M164-Q168 PolarHBondContact O-N 2.95Å; I165-Q168 PolarHBondContact O-N 3.35Å; Q168-K235 PolarHBondContact O-NZ 2.87Å |
| 169 | C | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -148.2 | 167.1 | -176.2 | 62.7 | 0 | 0 | 0 | 0 | 109.9 | M164 L167 V230 C232 K235 | M164-C169 WeakPolarHBondContact CA-O 3.43Å; M164-C169 VanDerWaalsContact CB-O 3.26Å; M164-C169 WeakPolarHBondContact CB-O 3.35Å; M164-C169 WeakPolarHBondContact CG-O 3.18Å; M164-C169 PolarHBondContact O-N 2.81Å; L167-C169 VanDerWaalsContact CB-SG 3.57Å; L167-C169 PolarHBondContact O-N 2.82Å; C169-V230 CarbonylContact C-O 3.57Å; C169-V230 VanDerWaalsContact CA-O 3.24Å; C169-V230 WeakPolarHBondContact CA-O 3.36Å; C169-V230 HydrophobicContact CB-CG1 4.21Å; C169-V230 VanDerWaalsContact CB-O 3.3Å; C169-V230 WeakPolarHBondContact CB-O 3.2Å; C169-C232 VanDerWaalsContact C-SG 3.51Å; C169-C232 HydrophobicContact CB-CB 3.87Å; C169-C232 WeakPolarHBondContact CB-SG 3.41Å; C169-C232 WeakPolarHBondContact SG-CA 3.21Å; C169-C232 WeakPolarHBondContact SG-CB 3.45Å; C169-C232 CovalentContact SG-SG 2.03Å; C169-C232 PolarHBondContact SG-SG 3.43Å; C169-K235 HydrophobicContact CB-CD 4.43Å | ||
| 170 | C | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -142.3 | 125.9 | 179.7 | -174 | 0 | 0 | 0 | 0 | 109.9 | N174 G175 C203 N227 V230 | C170-N174 CarbonylContact O-C 3.52Å; C170-N174 WeakPolarHBondContact O-CA 3.34Å; C170-G175 WeakPolarHBondContact SG-CA 3.36Å; C170-C203 HydrophobicContact CB-CB 3.68Å; C170-C203 WeakPolarHBondContact CB-SG 3.46Å; C170-C203 WeakPolarHBondContact SG-CB 3.47Å; C170-C203 CovalentContact SG-SG 2.03Å; C170-C203 PolarHBondContact SG-SG 2.87Å; C170-N227 VanDerWaalsContact CB-O 3.3Å; C170-N227 WeakPolarHBondContact CB-O 3.43Å; C170-V230 PolarHBondContact N-O 3.23Å | ||
| 171 | G | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 69.8 | -175 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | C232 | G171-C232 WeakPolarHBondContact O-CB 3.35Å; G171-C232 PolarHBondContact O-N 3.19Å; G171-C232 PolarHBondContact O-SG 3.5Å |
| 172 | I | 94 | Very high | 87.1 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -69 | -58.2 | 171.6 | -73.9 | 155.3 | 0 | 0 | 0 | 109.1 | F140 N141 I144 D177 G231 C232 W233 | F140-I172 HydrophobicContact CD1-CD1 4.43Å; F140-I172 HydrophobicContact CD1-CG1 3.47Å; F140-I172 VanDerWaalsContact CD1-CG1 3.47Å; F140-I172 HydrophobicContact CE1-CG1 3.82Å; N141-I172 HydrophobicContact CB-CD1 3.64Å; N141-I172 WeakPolarHBondContact OD1-CD1 3.21Å; I144-I172 HydrophobicContact CD1-CB 4.35Å; I144-I172 HydrophobicContact CD1-CD1 3.8Å; I144-I172 HydrophobicContact CD1-CG1 3.58Å; I172-D177 WeakPolarHBondContact CA-OD2 3.22Å; I172-D177 WeakPolarHBondContact CB-OD2 3.33Å; I172-D177 PolarHBondContact N-OD2 2.72Å; I172-G231 CarbonylContact O-C 3.08Å; I172-G231 VanDerWaalsContact O-CA 3.29Å; I172-G231 WeakPolarHBondContact O-CA 3.48Å; I172-C232 PolarHBondContact O-N 3.35Å; I172-C232 VanDerWaalsContact O-N 3.16Å; I172-W233 HydrophobicContact CG2-CB 3.85Å; I172-W233 HydrophobicContact CG2-CG 4.36Å; I172-W233 VanDerWaalsContact O-CB 3.27Å; I172-W233 WeakPolarHBondContact O-CB 3.25Å; I172-W233 PolarHBondContact O-N 2.96Å |
| 173 | N | 94.7 | Very high | 85.9 | Confident | 80 Ų | 80 | 47.1 Ų | 47.1 | 43% | 0.428 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -102.9 | -39 | -175.7 | -49.7 | -66.8 | 0 | 0 | 0 | 110.6 | D177 G231 | N173-D177 PolarHBondContact N-OD2 3.34Å; N173-D177 PolarHBondContact ND2-OD1 3.42Å; N173-G231 WeakPolarHBondContact O-CA 3.42Å; N173-G231 PolarHBondContact O-N 2.98Å; N173-G231 VanDerWaalsContact O-N 3.12Å |
| 174 | N | 94.3 | Very high | 84.2 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -173.5 | -179.8 | 177.8 | 57.6 | 54 | 0 | 0 | 0 | 110 | C170 S176 D177 I228 | C170-N174 CarbonylContact O-C 3.52Å; C170-N174 WeakPolarHBondContact O-CA 3.34Å; N174-S176 PolarHBondContact O-N 2.96Å; N174-S176 VanDerWaalsContact O-N 3.13Å; N174-S176 WeakPolarHBondContact OD1-CA 3.16Å; N174-S176 WeakPolarHBondContact OD1-CB 3.37Å; N174-S176 PolarHBondContact OD1-N 2.83Å; N174-S176 PolarHBondContact OD1-OG 2.9Å; N174-D177 PolarHBondContact N-OD2 3.45Å; N174-D177 WeakPolarHBondContact O-CB 3.43Å; N174-D177 PolarHBondContact O-N 3.36Å; N174-I228 CarbonylContact C-O 3.55Å; N174-I228 WeakPolarHBondContact CA-O 3.31Å; N174-I228 WeakPolarHBondContact CB-O 3.41Å |
| 175 | G | 90.1 | Very high | 82.5 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -59 | -25.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C170 D177 F178 Y199 I228 | C170-G175 WeakPolarHBondContact SG-CA 3.36Å; G175-D177 PolarHBondContact O-N 3.44Å; G175-D177 VanDerWaalsContact O-N 3.08Å; G175-F178 PolarHBondContact O-N 2.9Å; G175-Y199 VanDerWaalsContact C-CD1 3.48Å; G175-Y199 WeakPolarHBondContact O-CD1 3.24Å; G175-Y199 WeakPolarHBondContact O-CE1 3.36Å; G175-I228 PolarHBondContact N-O 3.06Å |
| 176 | S | 91.3 | Very high | 81 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -63.1 | -17.8 | 179.4 | 77.3 | 0 | 0 | 0 | 0 | 113.4 | N174 F178 S179 | N174-S176 PolarHBondContact O-N 2.96Å; N174-S176 VanDerWaalsContact O-N 3.13Å; N174-S176 WeakPolarHBondContact OD1-CA 3.16Å; N174-S176 WeakPolarHBondContact OD1-CB 3.37Å; N174-S176 PolarHBondContact OD1-N 2.83Å; N174-S176 PolarHBondContact OD1-OG 2.9Å; S176-F178 PolarHBondContact O-N 3.41Å; S176-F178 VanDerWaalsContact O-N 3.09Å; S176-S179 VanDerWaalsContact O-CB 3.23Å; S176-S179 WeakPolarHBondContact O-CB 3.34Å; S176-S179 PolarHBondContact O-N 2.97Å; S176-S179 PolarHBondContact O-OG 2.97Å |
| 177 | D | 91.1 | Very high | 79.2 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -59 | -22.4 | 173.1 | -63 | -41.1 | 0 | 0 | 0 | 112.3 | I144 I172 N173 N174 G175 | I144-D177 HydrophobicContact CD1-CB 4.24Å; I172-D177 WeakPolarHBondContact CA-OD2 3.22Å; I172-D177 WeakPolarHBondContact CB-OD2 3.33Å; I172-D177 PolarHBondContact N-OD2 2.72Å; N173-D177 PolarHBondContact N-OD2 3.34Å; N173-D177 PolarHBondContact ND2-OD1 3.42Å; N174-D177 PolarHBondContact N-OD2 3.45Å; N174-D177 WeakPolarHBondContact O-CB 3.43Å; N174-D177 PolarHBondContact O-N 3.36Å; G175-D177 PolarHBondContact O-N 3.44Å; G175-D177 VanDerWaalsContact O-N 3.08Å |
| 178 | F | 88.3 | Confident | 77.5 | Confident | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -86.4 | -10.7 | 175.4 | -67.2 | -74.9 | 0 | 0 | 0 | 114.6 | I144 Y147 L160 M164 G175 S176 H180 V181 M183 P200 | I144-F178 HydrophobicContact CG1-CE1 4.32Å; I144-F178 HydrophobicContact CG1-CZ 4.32Å; I144-F178 HydrophobicContact CG2-CD1 4.08Å; I144-F178 HydrophobicContact CG2-CE1 4Å; Y147-F178 HydrophobicContact CD1-CD1 4.31Å; Y147-F178 HydrophobicContact CD1-CE1 4.17Å; Y147-F178 HydrophobicContact CD2-CE1 4.49Å; Y147-F178 HydrophobicContact CG-CE1 4.02Å; L160-F178 HydrophobicContact CD2-CE1 3.7Å; L160-F178 HydrophobicContact CD2-CZ 3.71Å; L160-F178 HydrophobicContact CG-CZ 4.49Å; M164-F178 HydrophobicContact CE-CE2 4.27Å; M164-F178 HydrophobicContact CE-CZ 3.73Å; M164-F178 HydrophobicContact SD-CE2 3.77Å; M164-F178 HydrophobicContact SD-CZ 3.71Å; G175-F178 PolarHBondContact O-N 2.9Å; S176-F178 PolarHBondContact O-N 3.41Å; S176-F178 VanDerWaalsContact O-N 3.09Å; F178-H180 PolarHBondContact O-N 2.69Å; F178-V181 PolarHBondContact O-N 3Å; F178-V181 VanDerWaalsContact O-N 3.09Å; F178-M183 HydrophobicContact CB-CE 3.6Å; F178-M183 HydrophobicContact CD1-CE 3.94Å; F178-M183 HydrophobicContact CG-CE 3.92Å; F178-P200 HydrophobicContact CD1-CG 3.73Å; F178-P200 VanDerWaalsContact CD2-CD 3.45Å; F178-P200 HydrophobicContact CD2-CG 3.8Å; F178-P200 HydrophobicContact CE1-CG 3.64Å; F178-P200 HydrophobicContact CE2-CG 3.69Å; F178-P200 HydrophobicContact CG-CG 3.82Å; F178-P200 HydrophobicContact CZ-CG 3.62Å |
| 179 | S | 81.8 | Confident | 75.5 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -33.3 | -175.9 | 63.9 | 0 | 0 | 0 | 0 | 113 | S176 | S176-S179 VanDerWaalsContact O-CB 3.23Å; S176-S179 WeakPolarHBondContact O-CB 3.34Å; S176-S179 PolarHBondContact O-N 2.97Å; S176-S179 PolarHBondContact O-OG 2.97Å |
| 180 | H | 70.6 | Confident | 73.4 | Confident | 164 Ų | 164 | 63 Ų | 63 | 76% | 0.759 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6.8 | 180 | -56.8 | -56.4 | 0 | 0 | 0 | 113.7 | F178 | F178-H180 PolarHBondContact O-N 2.69Š|
| 181 | V | 74.4 | Confident | 71.7 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -87.4 | 122.2 | 178.9 | -171.7 | 0 | 0 | 0 | 0 | 108.1 | I144 F178 M183 R186 | I144-V181 HydrophobicContact CG2-CG2 3.82Å; I144-V181 WeakPolarHBondContact O-CG1 3.15Å; I144-V181 WeakPolarHBondContact O-CG2 3.37Å; F178-V181 PolarHBondContact O-N 3Å; F178-V181 VanDerWaalsContact O-N 3.09Å; V181-M183 PolarHBondContact O-N 3.37Å; V181-R186 PolarHBondContact O-NH2 3.37Å |
| 182 | K | 61 | Low | 69.9 | Low | 184 Ų | 184 | 72.8 Ų | 72.8 | 80% | 0.8 | 37% | 0.373 | S | S | * | . | trans | -69.4 | 81.5 | 166.8 | -71 | -174.4 | -179 | -178.1 | 0 | 107.7 | T184 | K182-T184 PolarHBondContact O-N 3.48Å; K182-T184 PolarHBondContact O-OG1 2.82Å | ||
| 183 | M | 59 | Low | 68 | Low | 16 Ų | 16 | 79 Ų | 79 | 8% | 0.079 | 40% | 0.402 | C | S | . | . | trans | -57 | 107.6 | 169.8 | -64.7 | -157.4 | -150.8 | 0 | 0 | 107.1 | Y147 F178 V181 K185 R186 P200 | Y147-M183 HydrophobicContact CD1-CE 4.35Å; Y147-M183 HydrophobicContact CD1-CG 3.96Å; Y147-M183 HydrophobicContact CD1-SD 3.75Å; Y147-M183 HydrophobicContact CE1-CE 4.31Å; Y147-M183 HydrophobicContact CE1-CG 4.32Å; Y147-M183 HydrophobicContact CE1-SD 3.54Å; Y147-M183 VanDerWaalsContact CE1-SD 3.54Å; F178-M183 HydrophobicContact CB-CE 3.6Å; F178-M183 HydrophobicContact CD1-CE 3.94Å; F178-M183 HydrophobicContact CG-CE 3.92Å; V181-M183 PolarHBondContact O-N 3.37Å; M183-K185 PolarHBondContact O-N 3.44Å; M183-R186 HydrophobicContact CB-CG 4.04Å; M183-R186 WeakPolarHBondContact O-CG 3.2Å; M183-R186 PolarHBondContact O-N 3.01Å; M183-P200 HydrophobicContact CE-CG 3.61Å; M183-P200 HydrophobicContact SD-CG 4.33Å | ||
| 184 | T | 51.4 | Low | 66.3 | Low | 117 Ų | 117 | 79.3 Ų | 79.3 | 72% | 0.718 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14.2 | -171.1 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | I148 K182 | I148-T184 PolarHBondContact O-N 3.42Å; K182-T184 PolarHBondContact O-N 3.48Å; K182-T184 PolarHBondContact O-OG1 2.82Å |
| 185 | K | 54.1 | Low | 64.6 | Low | 74 Ų | 74 | 80 Ų | 80 | 32% | 0.322 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 36.7 | 171.6 | -61.4 | -174 | 178 | -172.5 | 0 | 114.1 | I148 D151 M183 N187 I188 | I148-K185 HydrophobicContact CG2-CG 4.28Å; I148-K185 PolarHBondContact O-N 2.95Å; D151-K185 VanDerWaalsContact C-NZ 3.34Å; D151-K185 PolarHBondContact O-NZ 3.33Å; M183-K185 PolarHBondContact O-N 3.44Å; K185-N187 PolarHBondContact O-N 2.88Å; K185-N187 VanDerWaalsContact O-N 3.15Å; K185-I188 HydrophobicContact CB-CG2 4.27Å |
| 186 | R | 55.2 | Low | 63.4 | Low | 81 Ų | 81 | 85.5 Ų | 85.5 | 31% | 0.306 | 43% | 0.433 | S | S | . | . | trans | -56.4 | -22.3 | 166.5 | -83.4 | 176.3 | -177.4 | -161.6 | 10.7 | 112.9 | V181 M183 Y195 E196 | V181-R186 PolarHBondContact O-NH2 3.37Å; M183-R186 HydrophobicContact CB-CG 4.04Å; M183-R186 WeakPolarHBondContact O-CG 3.2Å; M183-R186 PolarHBondContact O-N 3.01Å; R186-Y195 CarbonylContact O-C 3.5Å; R186-E196 HydrophobicContact CB-CG 4.12Å; R186-E196 VanDerWaalsContact CD-OE1 3.26Å; R186-E196 WeakPolarHBondContact CD-OE1 3.19Å; R186-E196 HydrophobicContact CG-CG 4.04Å; R186-E196 IonicContact CZ-OE1 3.5Å; R186-E196 IonicContact NE-OE1 3.65Å; R186-E196 IonicContact NH1-OE1 2.72Å; R186-E196 PolarHBondContact NH1-OE1 3.21Å; R186-E196 WeakPolarHBondContact O-CA 3.49Å | ||
| 187 | N | 49.2 | Very low | 62.4 | Low | 132 Ų | 132 | 83.6 Ų | 83.6 | 71% | 0.706 | 42% | 0.418 | S | S | * | . | trans | -102.6 | 85.2 | 176 | -58.9 | -17.9 | 0 | 0 | 0 | 109.5 | K185 | K185-N187 PolarHBondContact O-N 2.88Å; K185-N187 VanDerWaalsContact O-N 3.15Å | ||
| 188 | I | 55.1 | Low | 61.6 | Low | 48 Ų | 48 | 87.9 Ų | 87.9 | 25% | 0.246 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 145.7 | 157.7 | 64 | 174.9 | 0 | 0 | 0 | 108.6 | K185 Y190 Y195 F197 I201 | K185-I188 HydrophobicContact CB-CG2 4.27Å; I188-Y190 PolarHBondContact O-N 3.24Å; I188-Y195 PolarHBondContact O-N 3.39Å; I188-Y195 VanDerWaalsContact O-N 3.16Å; I188-F197 HydrophobicContact CD1-CD2 3.9Å; I188-F197 HydrophobicContact CD1-CE2 3.28Å; I188-F197 HydrophobicContact CD1-CZ 3.94Å; I188-F197 HydrophobicContact CG1-CD2 3.82Å; I188-F197 HydrophobicContact CG1-CE2 3.15Å; I188-F197 HydrophobicContact CG1-CZ 4.08Å; I188-I201 HydrophobicContact CD1-CD1 3.91Å |
| 189 | M | 48 | Very low | 61.5 | Low | 144 Ų | 144 | 89.4 Ų | 89.4 | 71% | 0.709 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 106.6 | 173.6 | -76.1 | -88.6 | -83.6 | 0 | 0 | 107.9 | G192 E193 | M189-G192 WeakPolarHBondContact CE-O 3.42Å; M189-G192 VanDerWaalsContact SD-O 3.34Å; M189-E193 WeakPolarHBondContact CA-O 3.35Å |
| 190 | Y | 50.2 | Low | 61.8 | Low | 72 Ų | 72 | 86.7 Ų | 86.7 | 28% | 0.282 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.4 | 172 | -171.9 | -104 | 0 | 0 | 0 | 107.8 | I188 G192 E193 F197 P218 D219 | I188-Y190 PolarHBondContact O-N 3.24Å; Y190-G192 PolarHBondContact O-N 2.88Å; Y190-G192 VanDerWaalsContact O-N 3.14Å; Y190-E193 PolarHBondContact N-O 3.36Å; Y190-E193 PolarHBondContact O-N 3.4Å; Y190-F197 HydrophobicContact CD2-CZ 4.36Å; Y190-F197 HydrophobicContact CG-CZ 4.08Å; Y190-P218 HydrophobicContact CE2-CG 4.29Å; Y190-D219 WeakPolarHBondContact CE1-OD1 3.48Å |
| 191 | K | 59.2 | Low | 62.6 | Low | 160 Ų | 160 | 80.2 Ų | 80.2 | 70% | 0.696 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 26.3 | -170.4 | -62.3 | 172.7 | 177.2 | 164.1 | 0 | 114.7 | D219 | K191-D219 IonicContact NZ-OD2 3.6Å; K191-D219 PolarHBondContact NZ-OD2 3.2Å |
| 192 | G | 55.5 | Low | 63.2 | Low | 45 Ų | 45 | 79.9 Ų | 79.9 | 46% | 0.464 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 0.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | M189 Y190 | M189-G192 WeakPolarHBondContact CE-O 3.42Å; M189-G192 VanDerWaalsContact SD-O 3.34Å; Y190-G192 PolarHBondContact O-N 2.88Å; Y190-G192 VanDerWaalsContact O-N 3.14Å |
| 193 | E | 53.3 | Low | 64.7 | Low | 134 Ų | 134 | 71.1 Ų | 71.1 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 148.5 | 176 | -68.1 | -63.8 | 149.3 | 0 | 0 | 110.5 | M189 Y190 Y195 | M189-E193 WeakPolarHBondContact CA-O 3.35Å; Y190-E193 PolarHBondContact N-O 3.36Å; Y190-E193 PolarHBondContact O-N 3.4Å; E193-Y195 PolarHBondContact O-N 2.89Å; E193-Y195 VanDerWaalsContact O-N 3.13Å |
| 194 | P | 59.7 | Low | 66.3 | Low | 88 Ų | 88 | 70.4 Ų | 70.4 | 57% | 0.571 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 113.1 | 169.8 | 27.4 | -31.4 | 0 | 0 | 0 | 108.8 | ||
| 195 | Y | 58.3 | Low | 68.2 | Low | 67 Ų | 67 | 67.9 Ų | 67.9 | 26% | 0.263 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 117.3 | -178.3 | -168.7 | -82.6 | 0 | 0 | 0 | 110.5 | R186 I188 E193 F197 P218 D219 | R186-Y195 CarbonylContact O-C 3.5Å; I188-Y195 PolarHBondContact O-N 3.39Å; I188-Y195 VanDerWaalsContact O-N 3.16Å; E193-Y195 PolarHBondContact O-N 2.89Å; E193-Y195 VanDerWaalsContact O-N 3.13Å; Y195-F197 AromaticContact CD1-CD1 3.59Å; Y195-F197 HydrophobicContact CD1-CD1 3.59Å; Y195-F197 HydrophobicContact CD1-CD2 4.08Å; Y195-F197 AromaticContact CD1-CE1 3.22Å; Y195-F197 HydrophobicContact CD1-CE1 3.22Å; Y195-F197 AromaticContact CD1-CE2 3.7Å; Y195-F197 HydrophobicContact CD1-CE2 3.7Å; Y195-F197 HydrophobicContact CD1-CG 4.01Å; Y195-F197 AromaticContact CD1-CZ 3.35Å; Y195-F197 HydrophobicContact CD1-CZ 3.35Å; Y195-F197 AromaticContact CE1-CD1 3.63Å; Y195-F197 HydrophobicContact CE1-CD1 3.63Å; Y195-F197 AromaticContact CE1-CE1 3.48Å; Y195-F197 HydrophobicContact CE1-CE1 3.48Å; Y195-F197 VanDerWaalsContact CE1-CE1 3.48Å; Y195-F197 HydrophobicContact CE1-CG 4.32Å; Y195-F197 HydrophobicContact CE1-CZ 4.1Å; Y195-F197 HydrophobicContact CG-CE1 4.25Å; Y195-F197 HydrophobicContact CG-CE2 4.39Å; Y195-F197 HydrophobicContact CG-CZ 4.05Å; Y195-F197 WeakPolarHBondContact O-CD2 3.1Å; Y195-F197 WeakPolarHBondContact O-CE2 3.47Å; Y195-F197 PolarHBondContact O-N 2.9Å; Y195-P218 PolarHBondContact OH-O 3.04Å; Y195-D219 VanDerWaalsContact OH-C 3.27Å; Y195-D219 VanDerWaalsContact OH-CA 3.3Å; Y195-D219 WeakPolarHBondContact OH-CA 3.36Å; Y195-D219 PolarHBondContact OH-O 3.05Å |
| 196 | E | 65.2 | Low | 69.6 | Low | 117 Ų | 117 | 65.4 Ų | 65.4 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | trans | -82.1 | 100.7 | 176.1 | -174.5 | 171.6 | -175.4 | 0 | 0 | 110.1 | R186 Q198 | R186-E196 HydrophobicContact CB-CG 4.12Å; R186-E196 VanDerWaalsContact CD-OE1 3.26Å; R186-E196 WeakPolarHBondContact CD-OE1 3.19Å; R186-E196 HydrophobicContact CG-CG 4.04Å; R186-E196 IonicContact CZ-OE1 3.5Å; R186-E196 IonicContact NE-OE1 3.65Å; R186-E196 IonicContact NH1-OE1 2.72Å; R186-E196 PolarHBondContact NH1-OE1 3.21Å; R186-E196 WeakPolarHBondContact O-CA 3.49Å; E196-Q198 PolarHBondContact O-N 3.06Å | ||
| 197 | F | 69.6 | Low | 70.7 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 5% | 0.053 | 32% | 0.32 | C | S | . | . | trans | -66.2 | 124.1 | 174.9 | -66.8 | -71.7 | 0 | 0 | 0 | 111.4 | I188 Y190 Y195 Y199 I201 P218 | I188-F197 HydrophobicContact CD1-CD2 3.9Å; I188-F197 HydrophobicContact CD1-CE2 3.28Å; I188-F197 HydrophobicContact CD1-CZ 3.94Å; I188-F197 HydrophobicContact CG1-CD2 3.82Å; I188-F197 HydrophobicContact CG1-CE2 3.15Å; I188-F197 HydrophobicContact CG1-CZ 4.08Å; Y190-F197 HydrophobicContact CD2-CZ 4.36Å; Y190-F197 HydrophobicContact CG-CZ 4.08Å; Y195-F197 AromaticContact CD1-CD1 3.59Å; Y195-F197 HydrophobicContact CD1-CD1 3.59Å; Y195-F197 HydrophobicContact CD1-CD2 4.08Å; Y195-F197 AromaticContact CD1-CE1 3.22Å; Y195-F197 HydrophobicContact CD1-CE1 3.22Å; Y195-F197 AromaticContact CD1-CE2 3.7Å; Y195-F197 HydrophobicContact CD1-CE2 3.7Å; Y195-F197 HydrophobicContact CD1-CG 4.01Å; Y195-F197 AromaticContact CD1-CZ 3.35Å; Y195-F197 HydrophobicContact CD1-CZ 3.35Å; Y195-F197 AromaticContact CE1-CD1 3.63Å; Y195-F197 HydrophobicContact CE1-CD1 3.63Å; Y195-F197 AromaticContact CE1-CE1 3.48Å; Y195-F197 HydrophobicContact CE1-CE1 3.48Å; Y195-F197 VanDerWaalsContact CE1-CE1 3.48Å; Y195-F197 HydrophobicContact CE1-CG 4.32Å; Y195-F197 HydrophobicContact CE1-CZ 4.1Å; Y195-F197 HydrophobicContact CG-CE1 4.25Å; Y195-F197 HydrophobicContact CG-CE2 4.39Å; Y195-F197 HydrophobicContact CG-CZ 4.05Å; Y195-F197 WeakPolarHBondContact O-CD2 3.1Å; Y195-F197 WeakPolarHBondContact O-CE2 3.47Å; Y195-F197 PolarHBondContact O-N 2.9Å; F197-Y199 VanDerWaalsContact C-N 3.29Å; F197-Y199 WeakPolarHBondContact CB-O 3.41Å; F197-Y199 PolarHBondContact O-N 3.49Å; F197-I201 HydrophobicContact CD1-CG1 4.43Å; F197-P218 HydrophobicContact CD1-CB 3.61Å; F197-P218 HydrophobicContact CD1-CG 3.99Å; F197-P218 HydrophobicContact CE1-CB 3.38Å; F197-P218 HydrophobicContact CE1-CG 3.22Å; F197-P218 HydrophobicContact CZ-CG 4.04Å | ||
| 198 | Q | 74.7 | Confident | 71.8 | Confident | 125 Ų | 125 | 69.6 Ų | 69.6 | 58% | 0.584 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -65.4 | -35.6 | 173.7 | -167.1 | 179.2 | 9.5 | 0 | 0 | 111.7 | E196 F221 | E196-Q198 PolarHBondContact O-N 3.06Å; Q198-F221 HydrophobicContact CB-CE2 4.48Å |
| 199 | Y | 86.5 | Confident | 72.7 | Confident | 32 Ų | 32 | 72.9 Ų | 72.9 | 13% | 0.125 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -139.7 | 162.2 | -178.6 | -52.8 | -64.9 | 0 | 0 | 0 | 110.6 | G175 F197 F221 I228 | G175-Y199 VanDerWaalsContact C-CD1 3.48Å; G175-Y199 WeakPolarHBondContact O-CD1 3.24Å; G175-Y199 WeakPolarHBondContact O-CE1 3.36Å; F197-Y199 VanDerWaalsContact C-N 3.29Å; F197-Y199 WeakPolarHBondContact CB-O 3.41Å; F197-Y199 PolarHBondContact O-N 3.49Å; Y199-F221 HydrophobicContact CD2-CB 4.18Å; Y199-F221 HydrophobicContact CD2-CD1 4.05Å; Y199-F221 AromaticContact CD2-CD2 3.84Å; Y199-F221 HydrophobicContact CD2-CD2 3.84Å; Y199-F221 HydrophobicContact CD2-CE1 4.38Å; Y199-F221 HydrophobicContact CD2-CE2 4.2Å; Y199-F221 AromaticContact CD2-CG 3.76Å; Y199-F221 HydrophobicContact CD2-CG 3.76Å; Y199-F221 HydrophobicContact CD2-CZ 4.46Å; Y199-F221 HydrophobicContact CE2-CB 4.47Å; Y199-F221 HydrophobicContact CE2-CG 4.48Å; Y199-F221 WeakPolarHBondContact O-CZ 3.44Å; Y199-I228 HydrophobicContact CD2-CG2 3.75Å; Y199-I228 HydrophobicContact CE2-CD1 4.3Å; Y199-I228 HydrophobicContact CE2-CG2 4.18Å; Y199-I228 HydrophobicContact CG-CG2 4.2Å |
| 200 | P | 87.9 | Confident | 73.9 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.013 | 33% | 0.334 | C | S | . | . | trans | -56 | 143.9 | 175.6 | -28.2 | 39.3 | 0 | 0 | 0 | 112.7 | Y147 M164 F178 M183 S202 C203 | Y147-P200 HydrophobicContact CD1-CG 4.28Å; Y147-P200 HydrophobicContact CE1-CB 4.03Å; Y147-P200 HydrophobicContact CE1-CG 3.71Å; Y147-P200 WeakPolarHBondContact OH-CB 3.4Å; M164-P200 HydrophobicContact CE-CB 3.87Å; M164-P200 HydrophobicContact CE-CG 4Å; F178-P200 HydrophobicContact CD1-CG 3.73Å; F178-P200 VanDerWaalsContact CD2-CD 3.45Å; F178-P200 HydrophobicContact CD2-CG 3.8Å; F178-P200 HydrophobicContact CE1-CG 3.64Å; F178-P200 HydrophobicContact CE2-CG 3.69Å; F178-P200 HydrophobicContact CG-CG 3.82Å; F178-P200 HydrophobicContact CZ-CG 3.62Å; M183-P200 HydrophobicContact CE-CG 3.61Å; M183-P200 HydrophobicContact SD-CG 4.33Å; P200-S202 WeakPolarHBondContact CB-OG 3.29Å; P200-S202 PolarHBondContact O-N 3.45Å; P200-S202 VanDerWaalsContact O-N 3.16Å; P200-C203 VanDerWaalsContact O-CB 3.25Å; P200-C203 WeakPolarHBondContact O-CB 2.95Å; P200-C203 PolarHBondContact O-N 2.91Å | ||
| 201 | I | 87 | Confident | 75.2 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 14% | 0.138 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -56.8 | -33.6 | 175.9 | -61 | 173.9 | 0 | 0 | 0 | 111.1 | Y150 I188 F197 C203 C204 M206 I212 | Y150-I201 HydrophobicContact CD2-CB 4.25Å; Y150-I201 HydrophobicContact CG-CB 4.42Å; I188-I201 HydrophobicContact CD1-CD1 3.91Å; F197-I201 HydrophobicContact CD1-CG1 4.43Å; I201-C203 PolarHBondContact O-N 3.2Å; I201-C204 VanDerWaalsContact O-CB 3.24Å; I201-C204 WeakPolarHBondContact O-CB 3.45Å; I201-C204 PolarHBondContact O-N 3.42Å; I201-C204 PolarHBondContact O-SG 3.37Å; I201-C204 VanDerWaalsContact O-SG 3.39Å; I201-M206 HydrophobicContact CG2-CE 3.7Å; I201-M206 WeakPolarHBondContact O-CE 3.26Å; I201-I212 HydrophobicContact CG2-CD1 4.01Å |
| 202 | S | 87.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -63.3 | -8.6 | 175.2 | 54.9 | 0 | 0 | 0 | 0 | 114.7 | N161 M164 P200 | N161-S202 PolarHBondContact OD1-OG 2.81Å; N161-S202 VanDerWaalsContact OD1-OG 3.12Å; M164-S202 WeakPolarHBondContact CE-OG 3.41Å; P200-S202 WeakPolarHBondContact CB-OG 3.29Å; P200-S202 PolarHBondContact O-N 3.45Å; P200-S202 VanDerWaalsContact O-N 3.16Å |
| 203 | C | 92.3 | Very high | 77.4 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -81.8 | -14.4 | 169.9 | -65.3 | 0 | 0 | 0 | 0 | 112.9 | M164 C170 P200 I201 F221 S226 N227 I228 | M164-C203 VanDerWaalsContact SD-SG 3.64Å; C170-C203 HydrophobicContact CB-CB 3.68Å; C170-C203 WeakPolarHBondContact CB-SG 3.46Å; C170-C203 WeakPolarHBondContact SG-CB 3.47Å; C170-C203 CovalentContact SG-SG 2.03Å; C170-C203 PolarHBondContact SG-SG 2.87Å; P200-C203 VanDerWaalsContact O-CB 3.25Å; P200-C203 WeakPolarHBondContact O-CB 2.95Å; P200-C203 PolarHBondContact O-N 2.91Å; I201-C203 PolarHBondContact O-N 3.2Å; C203-F221 HydrophobicContact CB-CE1 4.29Å; C203-S226 CarbonylContact O-C 3.41Å; C203-S226 WeakPolarHBondContact O-CA 3.31Å; C203-S226 WeakPolarHBondContact O-CB 3.17Å; C203-N227 PolarHBondContact O-N 3.29Å; C203-I228 HydrophobicContact CB-CG2 4.22Å |
| 204 | C | 91.8 | Very high | 78.4 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -64.6 | 154.4 | 168.1 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | I201 M206 I212 C217 | I201-C204 VanDerWaalsContact O-CB 3.24Å; I201-C204 WeakPolarHBondContact O-CB 3.45Å; I201-C204 PolarHBondContact O-N 3.42Å; I201-C204 PolarHBondContact O-SG 3.37Å; I201-C204 VanDerWaalsContact O-SG 3.39Å; C204-M206 PolarHBondContact O-N 3.25Å; C204-I212 HydrophobicContact CB-CD1 4.26Å; C204-I212 HydrophobicContact CB-CG1 4.17Å; C204-I212 HydrophobicContact CB-CG2 4.2Å; C204-C217 WeakPolarHBondContact CA-SG 3.3Å; C204-C217 HydrophobicContact CB-CB 3.74Å; C204-C217 WeakPolarHBondContact CB-SG 3.24Å; C204-C217 WeakPolarHBondContact SG-CB 3.43Å; C204-C217 CovalentContact SG-SG 2.02Å; C204-C217 PolarHBondContact SG-SG 3.17Å |
| 205 | K | 91.1 | Very high | 79 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | trans | -70.1 | 123.7 | 168.7 | -70.6 | -179.4 | -172.6 | 169 | 0 | 108.8 | I212 T213 L223 E224 N225 | K205-I212 WeakPolarHBondContact O-CA 3.35Å; K205-T213 PolarHBondContact O-N 3.23Å; K205-T213 VanDerWaalsContact O-N 3.08Å; K205-T213 PolarHBondContact O-OG1 3.37Å; K205-L223 PolarHBondContact NZ-O 3.17Å; K205-E224 WeakPolarHBondContact CD-O 2.98Å; K205-E224 WeakPolarHBondContact CE-O 3.49Å; K205-E224 PolarHBondContact NZ-O 2.86Å; K205-N225 WeakPolarHBondContact CB-O 3.12Å; K205-N225 PolarHBondContact N-O 3.36Å | ||
| 206 | M | 84 | Confident | 80.1 | Confident | 22 Ų | 22 | 68 Ų | 68 | 11% | 0.108 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -120.3 | 152.8 | 179.3 | -67.2 | 179.3 | 173.3 | 0 | 0 | 110.7 | Y150 I165 I201 C204 Q210 E211 I212 | Y150-M206 HydrophobicContact CE2-CE 4.21Å; I165-M206 HydrophobicContact CD1-SD 3.5Å; I165-M206 VanDerWaalsContact CD1-SD 3.5Å; I165-M206 HydrophobicContact CG1-SD 3.56Å; I165-M206 VanDerWaalsContact CG1-SD 3.56Å; I165-M206 HydrophobicContact CG2-CB 4.33Å; I165-M206 HydrophobicContact CG2-SD 4.43Å; I201-M206 HydrophobicContact CG2-CE 3.7Å; I201-M206 WeakPolarHBondContact O-CE 3.26Å; C204-M206 PolarHBondContact O-N 3.25Å; M206-Q210 HydrophobicContact SD-CB 4.49Å; M206-E211 CarbonylContact C-O 3.43Å; M206-E211 WeakPolarHBondContact CA-O 3.04Å; M206-I212 HydrophobicContact CE-CG1 4.1Å; M206-I212 HydrophobicContact CG-CG1 4.38Å |
| 207 | D | 77.7 | Confident | 81.1 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | trans | -82.3 | -171.2 | 170.7 | 76.6 | -3.2 | 0 | 0 | 0 | 111.7 | N209 Q210 E211 T213 | D207-N209 PolarHBondContact O-N 3.13Å; D207-N209 VanDerWaalsContact OD1-C 3.32Å; D207-N209 VanDerWaalsContact OD1-CA 3.29Å; D207-N209 WeakPolarHBondContact OD1-CA 3.28Å; D207-N209 WeakPolarHBondContact OD1-CB 3.32Å; D207-N209 PolarHBondContact OD1-N 3.32Å; D207-Q210 PolarHBondContact O-N 3.41Å; D207-Q210 PolarHBondContact OD1-N 3.03Å; D207-E211 PolarHBondContact N-O 3.33Å; D207-E211 PolarHBondContact OD1-N 2.92Å; D207-T213 HydrophobicContact CB-CG2 3.64Å | ||
| 208 | R | 73.5 | Confident | 81.6 | Confident | 246 Ų | 246 | 62.2 Ų | 62.2 | 93% | 0.928 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -20.7 | 178.4 | -65.4 | -177.8 | -177.8 | 169.5 | 1 | 113.4 | ||
| 209 | N | 74.2 | Confident | 81.9 | Confident | 117 Ų | 117 | 59.1 Ų | 59.1 | 63% | 0.626 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 6.2 | 177.2 | -58.5 | -29.5 | 0 | 0 | 0 | 111.8 | D207 E211 | D207-N209 PolarHBondContact O-N 3.13Å; D207-N209 VanDerWaalsContact OD1-C 3.32Å; D207-N209 VanDerWaalsContact OD1-CA 3.29Å; D207-N209 WeakPolarHBondContact OD1-CA 3.28Å; D207-N209 WeakPolarHBondContact OD1-CB 3.32Å; D207-N209 PolarHBondContact OD1-N 3.32Å; N209-E211 HydrophobicContact CB-CG 4.19Å; N209-E211 PolarHBondContact O-N 3.36Å |
| 210 | Q | 72.4 | Confident | 81.9 | Confident | 88 Ų | 88 | 63.9 Ų | 63.9 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 64.2 | 24.9 | -176.4 | -47.2 | -177.3 | -85.3 | 0 | 0 | 113 | M206 D207 | M206-Q210 HydrophobicContact SD-CB 4.49Å; D207-Q210 PolarHBondContact O-N 3.41Å; D207-Q210 PolarHBondContact OD1-N 3.03Å |
| 211 | E | 77.5 | Confident | 81.9 | Confident | 124 Ų | 124 | 64.9 Ų | 64.9 | 58% | 0.579 | 32% | 0.323 | S | S | * | . | trans | -93 | 140 | 174.8 | -62.3 | -174.8 | 174.2 | 0 | 0 | 110.1 | M206 D207 N209 T213 | M206-E211 CarbonylContact C-O 3.43Å; M206-E211 WeakPolarHBondContact CA-O 3.04Å; D207-E211 PolarHBondContact N-O 3.33Å; D207-E211 PolarHBondContact OD1-N 2.92Å; N209-E211 HydrophobicContact CB-CG 4.19Å; N209-E211 PolarHBondContact O-N 3.36Å; E211-T213 PolarHBondContact O-N 2.88Å | ||
| 212 | I | 82.3 | Confident | 82.1 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -69.2 | 123.2 | 178.9 | -59.5 | 174.6 | 0 | 0 | 0 | 108.8 | I201 C204 K205 M206 C217 | I201-I212 HydrophobicContact CG2-CD1 4.01Å; C204-I212 HydrophobicContact CB-CD1 4.26Å; C204-I212 HydrophobicContact CB-CG1 4.17Å; C204-I212 HydrophobicContact CB-CG2 4.2Å; K205-I212 WeakPolarHBondContact O-CA 3.35Å; M206-I212 HydrophobicContact CE-CG1 4.1Å; M206-I212 HydrophobicContact CG-CG1 4.38Å; I212-C217 HydrophobicContact CG2-CB 4.32Å |
| 213 | T | 79.7 | Confident | 82.2 | Confident | 70 Ų | 70 | 71.6 Ų | 71.6 | 43% | 0.429 | 36% | 0.36 | S | S | . | . | trans | -83.5 | -27.8 | -173.2 | 50.4 | 0 | 0 | 0 | 0 | 113.9 | K205 D207 E211 | K205-T213 PolarHBondContact O-N 3.23Å; K205-T213 VanDerWaalsContact O-N 3.08Å; K205-T213 PolarHBondContact O-OG1 3.37Å; D207-T213 HydrophobicContact CB-CG2 3.64Å; E211-T213 PolarHBondContact O-N 2.88Å | ||
| 214 | N | 74.2 | Confident | 82 | Confident | 66 Ų | 66 | 79 Ų | 79 | 35% | 0.353 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -114.6 | 123.2 | -173.5 | -78.3 | -14 | 0 | 0 | 0 | 111.4 | G216 E224 N225 | N214-G216 PolarHBondContact O-N 2.96Å; N214-E224 PolarHBondContact ND2-O 3.36Å; N214-N225 HydrophobicContact CB-CB 3.67Å |
| 215 | N | 71.2 | Confident | 82.1 | Confident | 171 Ų | 171 | 79.4 Ų | 79.4 | 91% | 0.914 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 121.3 | 176.1 | -63.7 | -16.4 | 0 | 0 | 0 | 109.5 | ||
| 216 | G | 82.2 | Confident | 82.1 | Confident | 32 Ų | 32 | 76.6 Ų | 76.6 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 129.5 | -27.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N214 D219 E220 | N214-G216 PolarHBondContact O-N 2.96Å; G216-D219 CarbonylContact O-C 3.5Å; G216-D219 WeakPolarHBondContact O-CA 3.48Å; G216-D219 WeakPolarHBondContact O-CB 3.5Å; G216-D219 PolarHBondContact O-N 3.24Å; G216-E220 PolarHBondContact O-N 3.21Å |
| 217 | C | 85.4 | Confident | 82.6 | Confident | 6 Ų | 6 | 76.3 Ų | 76.3 | 4% | 0.041 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 136.5 | 168.5 | -158 | 0 | 0 | 0 | 0 | 108.3 | C204 I212 N225 | C204-C217 WeakPolarHBondContact CA-SG 3.3Å; C204-C217 HydrophobicContact CB-CB 3.74Å; C204-C217 WeakPolarHBondContact CB-SG 3.24Å; C204-C217 WeakPolarHBondContact SG-CB 3.43Å; C204-C217 CovalentContact SG-SG 2.02Å; C204-C217 PolarHBondContact SG-SG 3.17Å; I212-C217 HydrophobicContact CG2-CB 4.32Å; C217-N225 HydrophobicContact CB-CB 4.2Å; C217-N225 PolarHBondContact N-ND2 3.27Å |
| 218 | P | 81.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -92 | 9.5 | 7.8 | 38 | -40.1 | 0 | 0 | 0 | 116.4 | Y190 Y195 F197 E220 F221 | Y190-P218 HydrophobicContact CE2-CG 4.29Å; Y195-P218 PolarHBondContact OH-O 3.04Å; F197-P218 HydrophobicContact CD1-CB 3.61Å; F197-P218 HydrophobicContact CD1-CG 3.99Å; F197-P218 HydrophobicContact CE1-CB 3.38Å; F197-P218 HydrophobicContact CE1-CG 3.22Å; F197-P218 HydrophobicContact CZ-CG 4.04Å; P218-E220 VanDerWaalsContact C-N 3.3Å; P218-E220 PolarHBondContact O-N 3.33Å; P218-F221 HydrophobicContact CB-CE2 4.36Å; P218-F221 HydrophobicContact CB-CZ 3.99Å; P218-F221 WeakPolarHBondContact O-CE2 3.21Å |
| 219 | D | 81.1 | Confident | 84.3 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 32% | 0.321 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -34.6 | 179 | -71.2 | -35.6 | 0 | 0 | 0 | 112.8 | Y190 K191 Y195 G216 | Y190-D219 WeakPolarHBondContact CE1-OD1 3.48Å; K191-D219 IonicContact NZ-OD2 3.6Å; K191-D219 PolarHBondContact NZ-OD2 3.2Å; Y195-D219 VanDerWaalsContact OH-C 3.27Å; Y195-D219 VanDerWaalsContact OH-CA 3.3Å; Y195-D219 WeakPolarHBondContact OH-CA 3.36Å; Y195-D219 PolarHBondContact OH-O 3.05Å; G216-D219 CarbonylContact O-C 3.5Å; G216-D219 WeakPolarHBondContact O-CA 3.48Å; G216-D219 WeakPolarHBondContact O-CB 3.5Å; G216-D219 PolarHBondContact O-N 3.24Å |
| 220 | E | 85.8 | Confident | 85.3 | Confident | 133 Ų | 133 | 65.6 Ų | 65.6 | 62% | 0.621 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -147.4 | 130 | 174.1 | -172.9 | -179.6 | 179.2 | 0 | 0 | 109.3 | G216 P218 T222 N225 | G216-E220 PolarHBondContact O-N 3.21Å; P218-E220 VanDerWaalsContact C-N 3.3Å; P218-E220 PolarHBondContact O-N 3.33Å; E220-T222 HydrophobicContact CG-CG2 3.94Å; E220-N225 PolarHBondContact O-ND2 3Å; E220-N225 PolarHBondContact O-OD1 2.91Å |
| 221 | F | 87.9 | Confident | 86.4 | Confident | 22 Ų | 22 | 62 Ų | 62 | 10% | 0.096 | 33% | 0.329 | C | S | . | . | trans | -95.1 | 108.7 | 177.2 | -65.6 | -98.9 | 0 | 0 | 0 | 110.1 | Q198 Y199 C203 P218 I228 | Q198-F221 HydrophobicContact CB-CE2 4.48Å; Y199-F221 HydrophobicContact CD2-CB 4.18Å; Y199-F221 HydrophobicContact CD2-CD1 4.05Å; Y199-F221 AromaticContact CD2-CD2 3.84Å; Y199-F221 HydrophobicContact CD2-CD2 3.84Å; Y199-F221 HydrophobicContact CD2-CE1 4.38Å; Y199-F221 HydrophobicContact CD2-CE2 4.2Å; Y199-F221 AromaticContact CD2-CG 3.76Å; Y199-F221 HydrophobicContact CD2-CG 3.76Å; Y199-F221 HydrophobicContact CD2-CZ 4.46Å; Y199-F221 HydrophobicContact CE2-CB 4.47Å; Y199-F221 HydrophobicContact CE2-CG 4.48Å; Y199-F221 WeakPolarHBondContact O-CZ 3.44Å; C203-F221 HydrophobicContact CB-CE1 4.29Å; P218-F221 HydrophobicContact CB-CE2 4.36Å; P218-F221 HydrophobicContact CB-CZ 3.99Å; P218-F221 WeakPolarHBondContact O-CE2 3.21Å; F221-I228 HydrophobicContact CB-CD1 3.91Å; F221-I228 HydrophobicContact CB-CG2 3.93Å; F221-I228 HydrophobicContact CD1-CG2 3.64Å; F221-I228 HydrophobicContact CG-CG2 4.09Å | ||
| 222 | T | 90.6 | Very high | 87.3 | Confident | 44 Ų | 44 | 56 Ų | 56 | 27% | 0.27 | 30% | 0.302 | S | S | . | . | trans | -115 | 164.1 | 178.6 | 74.4 | 0 | 0 | 0 | 0 | 111.3 | E220 E224 N225 S226 | E220-T222 HydrophobicContact CG-CG2 3.94Å; T222-E224 PolarHBondContact O-N 3.29Å; T222-E224 PolarHBondContact OG1-N 3.29Å; T222-N225 PolarHBondContact N-OD1 3.37Å; T222-N225 PolarHBondContact O-N 3.04Å; T222-N225 PolarHBondContact O-OD1 3.23Å; T222-N225 PolarHBondContact OG1-N 3.44Å; T222-N225 PolarHBondContact OG1-OD1 2.68Å; T222-S226 WeakPolarHBondContact O-CB 3.43Å; T222-S226 PolarHBondContact O-N 3.12Å; T222-S226 PolarHBondContact O-OG 2.83Å | ||
| 223 | L | 89.4 | Confident | 87.9 | Confident | 125 Ų | 125 | 54.4 Ų | 54.4 | 65% | 0.654 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.5 | 173 | -77.4 | 159.7 | 0 | 0 | 0 | 112.8 | K205 H229 | K205-L223 PolarHBondContact NZ-O 3.17Å; L223-H229 HydrophobicContact CD2-CB 4.13Å; L223-H229 WeakPolarHBondContact CD2-CD2 3.44Å |
| 224 | E | 90 | Very high | 88.6 | Confident | 155 Ų | 155 | 55.1 Ų | 55.1 | 72% | 0.724 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -35.8 | -176.5 | -64.4 | -174.2 | 176.4 | 0 | 0 | 112.5 | K205 N214 T222 | K205-E224 WeakPolarHBondContact CD-O 2.98Å; K205-E224 WeakPolarHBondContact CE-O 3.49Å; K205-E224 PolarHBondContact NZ-O 2.86Å; N214-E224 PolarHBondContact ND2-O 3.36Å; T222-E224 PolarHBondContact O-N 3.29Å; T222-E224 PolarHBondContact OG1-N 3.29Å |
| 225 | N | 92.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -8 | -173.4 | 73.8 | 10.6 | 0 | 0 | 0 | 114.7 | K205 N214 C217 E220 T222 | K205-N225 WeakPolarHBondContact CB-O 3.12Å; K205-N225 PolarHBondContact N-O 3.36Å; N214-N225 HydrophobicContact CB-CB 3.67Å; C217-N225 HydrophobicContact CB-CB 4.2Å; C217-N225 PolarHBondContact N-ND2 3.27Å; E220-N225 PolarHBondContact O-ND2 3Å; E220-N225 PolarHBondContact O-OD1 2.91Å; T222-N225 PolarHBondContact N-OD1 3.37Å; T222-N225 PolarHBondContact O-N 3.04Å; T222-N225 PolarHBondContact O-OD1 3.23Å; T222-N225 PolarHBondContact OG1-N 3.44Å; T222-N225 PolarHBondContact OG1-OD1 2.68Å |
| 226 | S | 92.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -140 | 167.3 | -174.3 | 76.5 | 0 | 0 | 0 | 0 | 112.8 | C203 T222 I228 | C203-S226 CarbonylContact O-C 3.41Å; C203-S226 WeakPolarHBondContact O-CA 3.31Å; C203-S226 WeakPolarHBondContact O-CB 3.17Å; T222-S226 WeakPolarHBondContact O-CB 3.43Å; T222-S226 PolarHBondContact O-N 3.12Å; T222-S226 PolarHBondContact O-OG 2.83Å; S226-I228 WeakPolarHBondContact OG-CG1 3.4Å |
| 227 | N | 94 | Very high | 91.1 | Very high | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | trans | -106 | 20.9 | 177.2 | -60.9 | -51.1 | 0 | 0 | 0 | 111.8 | C170 C203 H229 V230 | C170-N227 VanDerWaalsContact CB-O 3.3Å; C170-N227 WeakPolarHBondContact CB-O 3.43Å; C203-N227 PolarHBondContact O-N 3.29Å; N227-H229 PolarHBondContact O-N 2.96Å; N227-H229 VanDerWaalsContact O-N 3.09Å; N227-V230 PolarHBondContact O-N 3.5Å | ||
| 228 | I | 93.2 | Very high | 91.4 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25 | -173.2 | 63.5 | 169 | 0 | 0 | 0 | 113.6 | N174 G175 Y199 C203 F221 S226 | N174-I228 CarbonylContact C-O 3.55Å; N174-I228 WeakPolarHBondContact CA-O 3.31Å; N174-I228 WeakPolarHBondContact CB-O 3.41Å; G175-I228 PolarHBondContact N-O 3.06Å; Y199-I228 HydrophobicContact CD2-CG2 3.75Å; Y199-I228 HydrophobicContact CE2-CD1 4.3Å; Y199-I228 HydrophobicContact CE2-CG2 4.18Å; Y199-I228 HydrophobicContact CG-CG2 4.2Å; C203-I228 HydrophobicContact CB-CG2 4.22Å; F221-I228 HydrophobicContact CB-CD1 3.91Å; F221-I228 HydrophobicContact CB-CG2 3.93Å; F221-I228 HydrophobicContact CD1-CG2 3.64Å; F221-I228 HydrophobicContact CG-CG2 4.09Å; S226-I228 WeakPolarHBondContact OG-CG1 3.4Å |
| 229 | H | 93.8 | Very high | 91.9 | Very high | 118 Ų | 118 | 58.2 Ų | 58.2 | 55% | 0.546 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -3.2 | 179.3 | -62.6 | -76.8 | 0 | 0 | 0 | 113.6 | L223 N227 | L223-H229 HydrophobicContact CD2-CB 4.13Å; L223-H229 WeakPolarHBondContact CD2-CD2 3.44Å; N227-H229 PolarHBondContact O-N 2.96Å; N227-H229 VanDerWaalsContact O-N 3.09Å |
| 230 | V | 95.2 | Very high | 92.3 | Very high | 59 Ų | 59 | 57 Ų | 57 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -107.8 | 102.3 | -176.3 | -177.1 | 0 | 0 | 0 | 0 | 109 | C169 C170 N227 | C169-V230 CarbonylContact C-O 3.57Å; C169-V230 VanDerWaalsContact CA-O 3.24Å; C169-V230 WeakPolarHBondContact CA-O 3.36Å; C169-V230 HydrophobicContact CB-CG1 4.21Å; C169-V230 VanDerWaalsContact CB-O 3.3Å; C169-V230 WeakPolarHBondContact CB-O 3.2Å; C170-V230 PolarHBondContact N-O 3.23Å; N227-V230 PolarHBondContact O-N 3.5Å |
| 231 | G | 95.1 | Very high | 92.6 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 12% | 0.124 | 28% | 0.28 | C | S | . | . | trans | -65 | 144.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I172 N173 | I172-G231 CarbonylContact O-C 3.08Å; I172-G231 VanDerWaalsContact O-CA 3.29Å; I172-G231 WeakPolarHBondContact O-CA 3.48Å; N173-G231 WeakPolarHBondContact O-CA 3.42Å; N173-G231 PolarHBondContact O-N 2.98Å; N173-G231 VanDerWaalsContact O-N 3.12Å | ||
| 232 | C | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -76.5 | -24.2 | 176.8 | -63.7 | 0 | 0 | 0 | 0 | 113.1 | F140 C169 G171 I172 K235 I236 | F140-C232 HydrophobicContact CE1-CB 4.11Å; F140-C232 HydrophobicContact CZ-CB 3.89Å; C169-C232 VanDerWaalsContact C-SG 3.51Å; C169-C232 HydrophobicContact CB-CB 3.87Å; C169-C232 WeakPolarHBondContact CB-SG 3.41Å; C169-C232 WeakPolarHBondContact SG-CA 3.21Å; C169-C232 WeakPolarHBondContact SG-CB 3.45Å; C169-C232 CovalentContact SG-SG 2.03Å; C169-C232 PolarHBondContact SG-SG 3.43Å; G171-C232 WeakPolarHBondContact O-CB 3.35Å; G171-C232 PolarHBondContact O-N 3.19Å; G171-C232 PolarHBondContact O-SG 3.5Å; I172-C232 PolarHBondContact O-N 3.35Å; I172-C232 VanDerWaalsContact O-N 3.16Å; C232-K235 PolarHBondContact O-N 2.84Å; C232-I236 HydrophobicContact CB-CD1 3.65Å; C232-I236 HydrophobicContact CB-CG1 4.32Å; C232-I236 WeakPolarHBondContact O-CB 3.48Å; C232-I236 VanDerWaalsContact O-CG1 3.31Å; C232-I236 WeakPolarHBondContact O-CG1 3.16Å; C232-I236 PolarHBondContact O-N 2.75Å |
| 233 | W | 95.9 | Very high | 92.7 | Very high | 22 Ų | 22 | 63 Ų | 63 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.8 | -48.3 | -171.2 | -174.5 | -104.2 | 0 | 0 | 0 | 114.4 | T133 R137 I172 K235 I236 E237 I240 | T133-W233 WeakPolarHBondContact O-CH2 3.22Å; T133-W233 WeakPolarHBondContact O-CZ2 3.48Å; R137-W233 VanDerWaalsContact CA-CH2 3.41Å; R137-W233 HydrophobicContact CB-CD2 4.36Å; R137-W233 HydrophobicContact CB-CE3 4.07Å; R137-W233 HydrophobicContact CB-CH2 3.33Å; R137-W233 HydrophobicContact CB-CZ2 3.6Å; R137-W233 HydrophobicContact CB-CZ3 3.58Å; R137-W233 HydrophobicContact CG-CD2 3.83Å; R137-W233 HydrophobicContact CG-CE3 3.77Å; R137-W233 HydrophobicContact CG-CH2 3.92Å; R137-W233 HydrophobicContact CG-CZ2 3.92Å; R137-W233 HydrophobicContact CG-CZ3 3.83Å; R137-W233 VanDerWaalsContact N-CH2 3.27Å; I172-W233 HydrophobicContact CG2-CB 3.85Å; I172-W233 HydrophobicContact CG2-CG 4.36Å; I172-W233 VanDerWaalsContact O-CB 3.27Å; I172-W233 WeakPolarHBondContact O-CB 3.25Å; I172-W233 PolarHBondContact O-N 2.96Å; W233-K235 PolarHBondContact O-N 3.49Å; W233-I236 HydrophobicContact CE3-CG2 4.37Å; W233-I236 HydrophobicContact CZ3-CG2 4.1Å; W233-I236 PolarHBondContact O-N 2.86Å; W233-E237 HydrophobicContact CZ2-CB 4.25Å; W233-E237 PolarHBondContact NE1-OE2 3.29Å; W233-E237 WeakPolarHBondContact O-CB 3.2Å; W233-E237 PolarHBondContact O-N 3.12Å; W233-I240 HydrophobicContact CH2-CD1 4.08Å; W233-I240 HydrophobicContact CZ3-CD1 4.28Å |
| 234 | P | 94.5 | Very high | 92.7 | Very high | 85 Ų | 85 | 57.7 Ų | 57.7 | 55% | 0.552 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60 | -36.1 | 179.6 | -23.6 | 34.8 | 0 | 0 | 0 | 112.9 | S238 | P234-S238 PolarHBondContact O-N 3.5Å |
| 235 | K | 93.4 | Very high | 92.9 | Very high | 73 Ų | 73 | 53 Ų | 53 | 32% | 0.317 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69 | -52.2 | 176.3 | -63.8 | -178.6 | 176.8 | -179.8 | 0 | 110.1 | L167 Q168 C169 C232 W233 E237 S238 Y239 | L167-K235 HydrophobicContact CB-CD 4.16Å; L167-K235 HydrophobicContact CD1-CB 4.22Å; L167-K235 WeakPolarHBondContact O-CD 3.26Å; L167-K235 WeakPolarHBondContact O-CE 3.14Å; L167-K235 PolarHBondContact O-NZ 3.48Å; Q168-K235 PolarHBondContact O-NZ 2.87Å; C169-K235 HydrophobicContact CB-CD 4.43Å; C232-K235 PolarHBondContact O-N 2.84Å; W233-K235 PolarHBondContact O-N 3.49Å; K235-E237 PolarHBondContact O-N 3.04Å; K235-S238 PolarHBondContact O-N 3.16Å; K235-S238 PolarHBondContact O-OG 3.34Å; K235-Y239 WeakPolarHBondContact O-CD2 3.25Å; K235-Y239 PolarHBondContact O-N 3.39Å |
| 236 | I | 92.5 | Very high | 92.9 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | -179.8 | -70 | 170.3 | 0 | 0 | 0 | 111.5 | F140 I163 L167 C232 W233 S238 Y239 I240 | F140-I236 HydrophobicContact CD1-CD1 4.33Å; F140-I236 HydrophobicContact CD2-CD1 3.84Å; F140-I236 HydrophobicContact CE1-CD1 4.01Å; F140-I236 HydrophobicContact CE2-CD1 3.46Å; F140-I236 VanDerWaalsContact CE2-CD1 3.46Å; F140-I236 HydrophobicContact CG-CD1 4.26Å; F140-I236 HydrophobicContact CZ-CD1 3.55Å; I163-I236 HydrophobicContact CG2-CD1 3.84Å; I163-I236 HydrophobicContact CG2-CG1 4.3Å; L167-I236 HydrophobicContact CD1-CD1 4.47Å; L167-I236 HydrophobicContact CD1-CG1 3.6Å; C232-I236 HydrophobicContact CB-CD1 3.65Å; C232-I236 HydrophobicContact CB-CG1 4.32Å; C232-I236 WeakPolarHBondContact O-CB 3.48Å; C232-I236 VanDerWaalsContact O-CG1 3.31Å; C232-I236 WeakPolarHBondContact O-CG1 3.16Å; C232-I236 PolarHBondContact O-N 2.75Å; W233-I236 HydrophobicContact CE3-CG2 4.37Å; W233-I236 HydrophobicContact CZ3-CG2 4.1Å; W233-I236 PolarHBondContact O-N 2.86Å; I236-S238 VanDerWaalsContact C-N 3.33Å; I236-S238 PolarHBondContact O-N 3.35Å; I236-Y239 PolarHBondContact O-N 2.92Å; I236-Y239 VanDerWaalsContact O-N 3.13Å; I236-I240 HydrophobicContact CG2-CD1 3.44Å; I236-I240 VanDerWaalsContact CG2-CD1 3.44Å; I236-I240 HydrophobicContact CG2-CG1 4.12Å; I236-I240 WeakPolarHBondContact O-CG1 3.06Å; I236-I240 PolarHBondContact O-N 3.34Å |
| 237 | E | 93.9 | Very high | 92.8 | Very high | 64 Ų | 64 | 60 Ų | 60 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 178.8 | 179.4 | 169 | -137.2 | 0 | 0 | 111.6 | T133 W233 K235 Y239 I240 I241 | T133-E237 HydrophobicContact CG2-CG 4.22Å; W233-E237 HydrophobicContact CZ2-CB 4.25Å; W233-E237 PolarHBondContact NE1-OE2 3.29Å; W233-E237 WeakPolarHBondContact O-CB 3.2Å; W233-E237 PolarHBondContact O-N 3.12Å; K235-E237 PolarHBondContact O-N 3.04Å; E237-Y239 VanDerWaalsContact C-N 3.3Å; E237-Y239 PolarHBondContact O-N 3.05Å; E237-I240 PolarHBondContact O-N 3.01Å; E237-I241 HydrophobicContact CG-CD1 3.83Å; E237-I241 HydrophobicContact CG-CG1 4.48Å; E237-I241 VanDerWaalsContact O-CG1 3.31Å; E237-I241 WeakPolarHBondContact O-CG1 3.42Å; E237-I241 PolarHBondContact O-N 3.07Å |
| 238 | S | 91.7 | Very high | 92.8 | Very high | 68 Ų | 68 | 59.5 Ų | 59.5 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -40.1 | 176.1 | 76.8 | 0 | 0 | 0 | 0 | 112.5 | P234 K235 I236 M242 | P234-S238 PolarHBondContact O-N 3.5Å; K235-S238 PolarHBondContact O-N 3.16Å; K235-S238 PolarHBondContact O-OG 3.34Å; I236-S238 VanDerWaalsContact C-N 3.33Å; I236-S238 PolarHBondContact O-N 3.35Å; S238-M242 WeakPolarHBondContact O-CB 3.46Å; S238-M242 PolarHBondContact O-N 2.9Å |
| 239 | Y | 90.6 | Very high | 92.9 | Very high | 113 Ų | 113 | 66.2 Ų | 66.2 | 44% | 0.443 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 176.2 | -78.4 | -71.8 | 0 | 0 | 0 | 112.2 | L167 K235 I236 E237 I241 M242 Y243 | L167-Y239 HydrophobicContact CD2-CD2 4.31Å; L167-Y239 HydrophobicContact CD2-CE2 3.68Å; K235-Y239 WeakPolarHBondContact O-CD2 3.25Å; K235-Y239 PolarHBondContact O-N 3.39Å; I236-Y239 PolarHBondContact O-N 2.92Å; I236-Y239 VanDerWaalsContact O-N 3.13Å; E237-Y239 VanDerWaalsContact C-N 3.3Å; E237-Y239 PolarHBondContact O-N 3.05Å; Y239-I241 VanDerWaalsContact C-N 3.33Å; Y239-I241 PolarHBondContact O-N 2.89Å; Y239-M242 PolarHBondContact O-N 2.93Å; Y239-Y243 HydrophobicContact CD1-CD2 4.45Å; Y239-Y243 AromaticContact CD1-CE2 3.86Å; Y239-Y243 HydrophobicContact CD1-CE2 3.86Å; Y239-Y243 VanDerWaalsContact O-CD2 3.24Å; Y239-Y243 WeakPolarHBondContact O-CD2 3.29Å; Y239-Y243 PolarHBondContact O-N 3.48Å |
| 240 | I | 89.8 | Confident | 93 | Very high | 33 Ų | 33 | 66.2 Ų | 66.2 | 17% | 0.169 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 176.9 | -70.6 | 163.7 | 0 | 0 | 0 | 110.6 | V132 W233 I236 E237 G244 | V132-I240 HydrophobicContact CG1-CG2 3.7Å; W233-I240 HydrophobicContact CH2-CD1 4.08Å; W233-I240 HydrophobicContact CZ3-CD1 4.28Å; I236-I240 HydrophobicContact CG2-CD1 3.44Å; I236-I240 VanDerWaalsContact CG2-CD1 3.44Å; I236-I240 HydrophobicContact CG2-CG1 4.12Å; I236-I240 WeakPolarHBondContact O-CG1 3.06Å; I236-I240 PolarHBondContact O-N 3.34Å; E237-I240 PolarHBondContact O-N 3.01Å; I240-G244 WeakPolarHBondContact O-CA 3.44Å; I240-G244 PolarHBondContact O-N 3.28Å |
| 241 | I | 92.1 | Very high | 93 | Very high | 75 Ų | 75 | 65.2 Ų | 65.2 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 178.4 | -67.5 | 168.5 | 0 | 0 | 0 | 110.1 | T133 E237 Y239 N245 | T133-I241 HydrophobicContact CG2-CD1 4.44Å; T133-I241 HydrophobicContact CG2-CG1 4.14Å; E237-I241 HydrophobicContact CG-CD1 3.83Å; E237-I241 HydrophobicContact CG-CG1 4.48Å; E237-I241 VanDerWaalsContact O-CG1 3.31Å; E237-I241 WeakPolarHBondContact O-CG1 3.42Å; E237-I241 PolarHBondContact O-N 3.07Å; Y239-I241 VanDerWaalsContact C-N 3.33Å; Y239-I241 PolarHBondContact O-N 2.89Å; I241-N245 WeakPolarHBondContact O-CB 3.02Å; I241-N245 VanDerWaalsContact O-CG 3.26Å; I241-N245 PolarHBondContact O-N 2.03Å; I241-N245 PolarHBondContact O-ND2 3.46Å |
| 242 | M | 90 | Very high | 93.1 | Very high | 110 Ų | 110 | 67.1 Ų | 67.1 | 54% | 0.542 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.5 | -55.3 | 179.1 | -178.4 | 179.9 | 177.1 | 0 | 0 | 112.3 | S238 Y239 G244 N245 I246 | S238-M242 WeakPolarHBondContact O-CB 3.46Å; S238-M242 PolarHBondContact O-N 2.9Å; Y239-M242 PolarHBondContact O-N 2.93Å; M242-G244 VanDerWaalsContact C-N 3.34Å; M242-N245 PolarHBondContact O-N 3.2Å; M242-I246 HydrophobicContact CE-CD1 4.35Å; M242-I246 HydrophobicContact CG-CD1 4.24Å; M242-I246 WeakPolarHBondContact O-CG1 3.17Å; M242-I246 PolarHBondContact O-N 3.2Å; M242-I246 VanDerWaalsContact O-N 3.12Å |
| 243 | Y | 90.1 | Very high | 93.1 | Very high | 140 Ų | 140 | 69.5 Ų | 69.5 | 55% | 0.549 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.3 | -32.9 | -179.7 | -74.3 | -66.4 | 0 | 0 | 0 | 112.5 | Y239 I246 T247 | Y239-Y243 HydrophobicContact CD1-CD2 4.45Å; Y239-Y243 AromaticContact CD1-CE2 3.86Å; Y239-Y243 HydrophobicContact CD1-CE2 3.86Å; Y239-Y243 VanDerWaalsContact O-CD2 3.24Å; Y239-Y243 WeakPolarHBondContact O-CD2 3.29Å; Y239-Y243 PolarHBondContact O-N 3.48Å; Y243-I246 HydrophobicContact CD1-CD1 4.46Å; Y243-I246 PolarHBondContact O-N 3.23Å; Y243-T247 WeakPolarHBondContact O-CB 3.07Å; Y243-T247 PolarHBondContact O-N 2.77Å; Y243-T247 PolarHBondContact O-OG1 2.63Å |
| 244 | G | 91.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 70 Ų | 70 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y125 I240 M242 T247 A248 | Y125-G244 VanDerWaalsContact CZ-C 3.48Å; Y125-G244 WeakPolarHBondContact OH-CA 3.27Å; I240-G244 WeakPolarHBondContact O-CA 3.44Å; I240-G244 PolarHBondContact O-N 3.28Å; M242-G244 VanDerWaalsContact C-N 3.34Å; G244-T247 PolarHBondContact O-N 2.68Å; G244-A248 WeakPolarHBondContact O-CB 3.49Å; G244-A248 PolarHBondContact O-N 3.35Å |
| 245 | N | 92.7 | Very high | 93.2 | Very high | 55 Ų | 55 | 66.7 Ų | 66.7 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 179.4 | -77.7 | -31.3 | 0 | 0 | 0 | 111.1 | Y125 I241 M242 T247 A248 Y249 | Y125-N245 PolarHBondContact OH-N 3.34Å; Y125-N245 PolarHBondContact OH-OD1 3.43Å; I241-N245 WeakPolarHBondContact O-CB 3.02Å; I241-N245 VanDerWaalsContact O-CG 3.26Å; I241-N245 PolarHBondContact O-N 2.03Å; I241-N245 PolarHBondContact O-ND2 3.46Å; M242-N245 PolarHBondContact O-N 3.2Å; N245-T247 VanDerWaalsContact C-N 3.31Å; N245-T247 PolarHBondContact O-N 3.08Å; N245-A248 PolarHBondContact O-N 2.86Å; N245-Y249 HydrophobicContact CB-CE2 4.26Å; N245-Y249 WeakPolarHBondContact O-CD2 3.36Å; N245-Y249 PolarHBondContact O-N 3.04Å |
| 246 | I | 93.3 | Very high | 93.4 | Very high | 76 Ų | 76 | 64.9 Ų | 64.9 | 39% | 0.39 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 175.9 | -66.9 | 167.3 | 0 | 0 | 0 | 110.4 | M242 Y243 A248 Y249 I250 | M242-I246 HydrophobicContact CE-CD1 4.35Å; M242-I246 HydrophobicContact CG-CD1 4.24Å; M242-I246 WeakPolarHBondContact O-CG1 3.17Å; M242-I246 PolarHBondContact O-N 3.2Å; M242-I246 VanDerWaalsContact O-N 3.12Å; Y243-I246 HydrophobicContact CD1-CD1 4.46Å; Y243-I246 PolarHBondContact O-N 3.23Å; I246-A248 PolarHBondContact O-N 3.15Å; I246-Y249 PolarHBondContact O-N 3.05Å; I246-I250 HydrophobicContact CG2-CD1 4Å; I246-I250 WeakPolarHBondContact O-CG1 3.44Å; I246-I250 PolarHBondContact O-N 2.82Å; I246-I250 VanDerWaalsContact O-N 3.07Å |
| 247 | T | 90.3 | Very high | 93.5 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 53% | 0.534 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 179.2 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | Y243 G244 N245 Y249 I250 L251 | Y243-T247 WeakPolarHBondContact O-CB 3.07Å; Y243-T247 PolarHBondContact O-N 2.77Å; Y243-T247 PolarHBondContact O-OG1 2.63Å; G244-T247 PolarHBondContact O-N 2.68Å; N245-T247 VanDerWaalsContact C-N 3.31Å; N245-T247 PolarHBondContact O-N 3.08Å; T247-Y249 PolarHBondContact O-N 3.28Å; T247-I250 PolarHBondContact O-N 3Å; T247-L251 WeakPolarHBondContact O-CB 3.03Å; T247-L251 PolarHBondContact O-N 3.48Å |
| 248 | A | 93.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 65.1 Ų | 65.1 | 5% | 0.05 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | Y125 F126 G244 N245 I246 L251 C252 | Y125-A248 HydrophobicContact CD1-CB 3.49Å; Y125-A248 VanDerWaalsContact CD1-CB 3.49Å; Y125-A248 HydrophobicContact CE1-CB 3.52Å; Y125-A248 HydrophobicContact CG-CB 4.33Å; F126-A248 HydrophobicContact CE2-CB 4.09Å; F126-A248 HydrophobicContact CZ-CB 3.85Å; G244-A248 WeakPolarHBondContact O-CB 3.49Å; G244-A248 PolarHBondContact O-N 3.35Å; N245-A248 PolarHBondContact O-N 2.86Å; I246-A248 PolarHBondContact O-N 3.15Å; A248-L251 PolarHBondContact O-N 3.17Å; A248-C252 PolarHBondContact O-N 2.99Å; A248-C252 PolarHBondContact O-SG 3.16Å; A248-C252 VanDerWaalsContact O-SG 3.33Å |
| 249 | Y | 95.3 | Very high | 93.9 | Very high | 156 Ų | 156 | 65.4 Ų | 65.4 | 61% | 0.612 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.8 | -41.4 | 175.8 | -68.1 | -53.9 | 0 | 0 | 0 | 112.8 | N245 I246 T247 L251 C252 G253 | N245-Y249 HydrophobicContact CB-CE2 4.26Å; N245-Y249 WeakPolarHBondContact O-CD2 3.36Å; N245-Y249 PolarHBondContact O-N 3.04Å; I246-Y249 PolarHBondContact O-N 3.05Å; T247-Y249 PolarHBondContact O-N 3.28Å; Y249-L251 VanDerWaalsContact C-N 3.3Å; Y249-L251 PolarHBondContact O-N 3.21Å; Y249-C252 PolarHBondContact O-N 3.13Å; Y249-G253 PolarHBondContact O-N 2.03Å; Y249-G253 VanDerWaalsContact O-N 3.1Å |
| 250 | I | 95.9 | Very high | 94.1 | Very high | 118 Ų | 118 | 63.9 Ų | 63.9 | 61% | 0.605 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 174.2 | -67.7 | 168.2 | 0 | 0 | 0 | 110.1 | I246 T247 G253 A254 | I246-I250 HydrophobicContact CG2-CD1 4Å; I246-I250 WeakPolarHBondContact O-CG1 3.44Å; I246-I250 PolarHBondContact O-N 2.82Å; I246-I250 VanDerWaalsContact O-N 3.07Å; T247-I250 PolarHBondContact O-N 3Å; I250-G253 PolarHBondContact O-N 3.05Å; I250-G253 VanDerWaalsContact O-N 3.17Å; I250-A254 PolarHBondContact O-N 3.33Å |
| 251 | L | 95.7 | Very high | 94.4 | Very high | 38 Ų | 38 | 62.8 Ų | 62.8 | 20% | 0.199 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 179.6 | -165.8 | 60.8 | 0 | 0 | 0 | 112.2 | E118 I121 I122 T247 A248 Y249 G253 A254 V255 | E118-L251 HydrophobicContact CB-CD1 4.34Å; E118-L251 HydrophobicContact CG-CD1 3.98Å; I121-L251 HydrophobicContact CB-CD2 4.31Å; I121-L251 HydrophobicContact CG2-CD2 3.84Å; I122-L251 HydrophobicContact CD1-CB 4.37Å; I122-L251 HydrophobicContact CD1-CD2 4.28Å; I122-L251 HydrophobicContact CD1-CG 3.94Å; I122-L251 HydrophobicContact CG1-CB 4.27Å; I122-L251 HydrophobicContact CG1-CD2 3.64Å; I122-L251 HydrophobicContact CG1-CG 3.85Å; T247-L251 WeakPolarHBondContact O-CB 3.03Å; T247-L251 PolarHBondContact O-N 3.48Å; A248-L251 PolarHBondContact O-N 3.17Å; Y249-L251 VanDerWaalsContact C-N 3.3Å; Y249-L251 PolarHBondContact O-N 3.21Å; L251-G253 VanDerWaalsContact C-N 3.31Å; L251-G253 PolarHBondContact O-N 3.14Å; L251-A254 WeakPolarHBondContact O-CB 3.45Å; L251-A254 PolarHBondContact O-N 2.73Å; L251-V255 WeakPolarHBondContact O-CG2 3.41Å; L251-V255 PolarHBondContact O-N 3.44Å |
| 252 | C | 96.7 | Very high | 94.6 | Very high | 53 Ų | 53 | 60.2 Ų | 60.2 | 36% | 0.358 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 171.7 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | A248 Y249 V255 G256 | A248-C252 PolarHBondContact O-N 2.99Å; A248-C252 PolarHBondContact O-SG 3.16Å; A248-C252 VanDerWaalsContact O-SG 3.33Å; Y249-C252 PolarHBondContact O-N 3.13Å; C252-V255 PolarHBondContact O-N 2.71Å; C252-G256 PolarHBondContact O-N 3.2Å |
| 253 | G | 96.5 | Very high | 94.9 | Very high | 49 Ų | 49 | 59.2 Ų | 59.2 | 51% | 0.505 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y249 I250 L251 G256 L257 | Y249-G253 PolarHBondContact O-N 2.03Å; Y249-G253 VanDerWaalsContact O-N 3.1Å; I250-G253 PolarHBondContact O-N 3.05Å; I250-G253 VanDerWaalsContact O-N 3.17Å; L251-G253 VanDerWaalsContact C-N 3.31Å; L251-G253 PolarHBondContact O-N 3.14Å; G253-G256 PolarHBondContact O-N 3.31Å; G253-L257 PolarHBondContact O-N 2.87Å |
| 254 | A | 95.6 | Very high | 95.1 | Very high | 33 Ų | 33 | 54.7 Ų | 54.7 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I250 L251 G256 L257 Q258 | I250-A254 PolarHBondContact O-N 3.33Å; L251-A254 WeakPolarHBondContact O-CB 3.45Å; L251-A254 PolarHBondContact O-N 2.73Å; A254-G256 VanDerWaalsContact C-N 3.35Å; A254-G256 PolarHBondContact O-N 2.95Å; A254-L257 WeakPolarHBondContact O-CB 3.3Å; A254-L257 PolarHBondContact O-N 3.16Å; A254-Q258 WeakPolarHBondContact O-CG 3.08Å; A254-Q258 PolarHBondContact O-N 2.72Å |
| 255 | V | 97.2 | Very high | 95.2 | Very high | 16 Ų | 16 | 54 Ų | 54 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 174.5 | 164.4 | 0 | 0 | 0 | 0 | 111.2 | L115 E118 I119 I122 L251 C252 L257 Q258 I259 | L115-V255 HydrophobicContact CD1-CB 4.42Å; L115-V255 HydrophobicContact CD1-CG1 3.89Å; L115-V255 HydrophobicContact CD1-CG2 4.29Å; E118-V255 HydrophobicContact CB-CG2 3.8Å; E118-V255 WeakPolarHBondContact OE2-CG2 3.43Å; I119-V255 HydrophobicContact CG1-CG1 4.32Å; I122-V255 HydrophobicContact CD1-CB 4.37Å; I122-V255 HydrophobicContact CD1-CG2 3.66Å; L251-V255 WeakPolarHBondContact O-CG2 3.41Å; L251-V255 PolarHBondContact O-N 3.44Å; C252-V255 PolarHBondContact O-N 2.71Å; V255-L257 VanDerWaalsContact C-N 3.33Å; V255-L257 PolarHBondContact O-N 3.36Å; V255-Q258 PolarHBondContact O-N 2.78Å; V255-I259 HydrophobicContact CG1-CD1 3.91Å; V255-I259 VanDerWaalsContact O-CG1 3.32Å; V255-I259 WeakPolarHBondContact O-CG1 3.36Å; V255-I259 PolarHBondContact O-N 3.01Å |
| 256 | G | 96.6 | Very high | 95.3 | Very high | 34 Ų | 34 | 53.9 Ų | 53.9 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C252 G253 A254 I259 L260 | C252-G256 PolarHBondContact O-N 3.2Å; G253-G256 PolarHBondContact O-N 3.31Å; A254-G256 VanDerWaalsContact C-N 3.35Å; A254-G256 PolarHBondContact O-N 2.95Å; G256-I259 PolarHBondContact O-N 2.86Å; G256-L260 WeakPolarHBondContact O-CG 3.26Å; G256-L260 PolarHBondContact O-N 3Å; G256-L260 VanDerWaalsContact O-N 3.14Å |
| 257 | L | 95.5 | Very high | 95.3 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 37% | 0.372 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 176.3 | -176.6 | 63.8 | 0 | 0 | 0 | 112.4 | I18 G253 A254 V255 L260 F261 | I18-L257 HydrophobicContact CD1-CD2 4.17Å; G253-L257 PolarHBondContact O-N 2.87Å; A254-L257 WeakPolarHBondContact O-CB 3.3Å; A254-L257 PolarHBondContact O-N 3.16Å; V255-L257 VanDerWaalsContact C-N 3.33Å; V255-L257 PolarHBondContact O-N 3.36Å; L257-L260 WeakPolarHBondContact O-CB 3.36Å; L257-L260 PolarHBondContact O-N 2.02Å; L257-F261 HydrophobicContact CD1-CE1 3.94Å; L257-F261 HydrophobicContact CD1-CE2 4.36Å; L257-F261 HydrophobicContact CD1-CZ 3.73Å; L257-F261 HydrophobicContact CD2-CE2 4.14Å; L257-F261 HydrophobicContact CD2-CZ 3.96Å; L257-F261 HydrophobicContact CG-CE1 4.29Å; L257-F261 HydrophobicContact CG-CE2 3.8Å; L257-F261 HydrophobicContact CG-CZ 3.64Å; L257-F261 PolarHBondContact O-N 2.77Å |
| 258 | Q | 96.4 | Very high | 95.4 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 176.6 | -72.3 | -175.4 | 24.4 | 0 | 0 | 112.2 | L115 E118 A254 V255 L260 F261 I262 | L115-Q258 HydrophobicContact CD1-CB 4.35Å; E118-Q258 PolarHBondContact OE1-NE2 3.09Å; E118-Q258 VanDerWaalsContact OE2-CD 3.23Å; E118-Q258 PolarHBondContact OE2-NE2 3.12Å; E118-Q258 PolarHBondContact OE2-OE1 3.25Å; A254-Q258 WeakPolarHBondContact O-CG 3.08Å; A254-Q258 PolarHBondContact O-N 2.72Å; V255-Q258 PolarHBondContact O-N 2.78Å; Q258-L260 VanDerWaalsContact C-N 3.28Å; Q258-L260 PolarHBondContact O-N 2.8Å; Q258-F261 PolarHBondContact O-N 2.98Å; Q258-F261 VanDerWaalsContact O-N 3.17Å; Q258-I262 WeakPolarHBondContact O-CG1 3.23Å; Q258-I262 PolarHBondContact O-N 3.09Å |
| 259 | I | 96.9 | Very high | 95.2 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 174.2 | -68.6 | 166.7 | 0 | 0 | 0 | 110.2 | L115 V255 G256 F261 I262 L263 | L115-I259 HydrophobicContact CD1-CG1 4.31Å; L115-I259 HydrophobicContact CD2-CG1 4.43Å; V255-I259 HydrophobicContact CG1-CD1 3.91Å; V255-I259 VanDerWaalsContact O-CG1 3.32Å; V255-I259 WeakPolarHBondContact O-CG1 3.36Å; V255-I259 PolarHBondContact O-N 3.01Å; G256-I259 PolarHBondContact O-N 2.86Å; I259-F261 PolarHBondContact O-N 2.72Å; I259-I262 PolarHBondContact O-N 3.24Å; I259-L263 HydrophobicContact CG2-CD1 4.03Å; I259-L263 HydrophobicContact CG2-CG 4.32Å; I259-L263 VanDerWaalsContact O-CG 3.28Å; I259-L263 WeakPolarHBondContact O-CG 3.41Å; I259-L263 PolarHBondContact O-N 3.33Å |
| 260 | L | 95.5 | Very high | 95 | Very high | 82 Ų | 82 | 49.2 Ų | 49.2 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 174.7 | -70 | 172.2 | 0 | 0 | 0 | 111.9 | G256 L257 Q258 I262 L263 F264 | G256-L260 WeakPolarHBondContact O-CG 3.26Å; G256-L260 PolarHBondContact O-N 3Å; G256-L260 VanDerWaalsContact O-N 3.14Å; L257-L260 WeakPolarHBondContact O-CB 3.36Å; L257-L260 PolarHBondContact O-N 2.02Å; Q258-L260 VanDerWaalsContact C-N 3.28Å; Q258-L260 PolarHBondContact O-N 2.8Å; L260-I262 VanDerWaalsContact C-N 3.35Å; L260-I262 PolarHBondContact O-N 3.3Å; L260-L263 PolarHBondContact O-N 3.49Å; L260-F264 WeakPolarHBondContact O-CB 3.3Å; L260-F264 WeakPolarHBondContact O-CD1 3.03Å; L260-F264 WeakPolarHBondContact O-CG 3.09Å; L260-F264 PolarHBondContact O-N 2.93Å |
| 261 | F | 95.6 | Very high | 94.5 | Very high | 9 Ų | 9 | 45 Ų | 45 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 175.7 | -65.1 | -28 | 0 | 0 | 0 | 113 | L11 V14 I18 Y107 H111 L257 Q258 I259 F264 A265 | L11-F261 HydrophobicContact CD1-CB 4.35Å; L11-F261 HydrophobicContact CD1-CD1 3.67Å; L11-F261 HydrophobicContact CD1-CE1 4.37Å; L11-F261 HydrophobicContact CD1-CG 4.24Å; V14-F261 HydrophobicContact CB-CE1 4.09Å; V14-F261 HydrophobicContact CB-CZ 4.26Å; V14-F261 HydrophobicContact CG1-CE1 3.68Å; V14-F261 HydrophobicContact CG1-CZ 3.41Å; V14-F261 VanDerWaalsContact CG1-CZ 3.41Å; I18-F261 HydrophobicContact CD1-CE2 4.06Å; I18-F261 HydrophobicContact CD1-CZ 3.89Å; Y107-F261 WeakPolarHBondContact OH-CB 3.45Å; H111-F261 AromaticContact CE1-CD2 3.62Å; H111-F261 AromaticContact NE2-CD2 3.87Å; L257-F261 HydrophobicContact CD1-CE1 3.94Å; L257-F261 HydrophobicContact CD1-CE2 4.36Å; L257-F261 HydrophobicContact CD1-CZ 3.73Å; L257-F261 HydrophobicContact CD2-CE2 4.14Å; L257-F261 HydrophobicContact CD2-CZ 3.96Å; L257-F261 HydrophobicContact CG-CE1 4.29Å; L257-F261 HydrophobicContact CG-CE2 3.8Å; L257-F261 HydrophobicContact CG-CZ 3.64Å; L257-F261 PolarHBondContact O-N 2.77Å; Q258-F261 PolarHBondContact O-N 2.98Å; Q258-F261 VanDerWaalsContact O-N 3.17Å; I259-F261 PolarHBondContact O-N 2.72Å; F261-F264 PolarHBondContact O-N 3.35Å; F261-A265 WeakPolarHBondContact O-CB 3.48Å; F261-A265 PolarHBondContact O-N 3.2Å |
| 262 | I | 96.3 | Very high | 93.7 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 174.9 | -71.9 | 166.6 | 0 | 0 | 0 | 110.4 | L108 H111 V112 L115 Q258 I259 L260 F264 A265 L266 | L108-I262 HydrophobicContact CD1-CB 4.03Å; L108-I262 HydrophobicContact CD1-CG1 3.83Å; L108-I262 HydrophobicContact CD1-CG2 3.73Å; H111-I262 HydrophobicContact CB-CD1 4.22Å; H111-I262 HydrophobicContact CB-CG1 3.94Å; V112-I262 HydrophobicContact CG2-CD1 4.24Å; L115-I262 HydrophobicContact CD2-CD1 3.7Å; Q258-I262 WeakPolarHBondContact O-CG1 3.23Å; Q258-I262 PolarHBondContact O-N 3.09Å; I259-I262 PolarHBondContact O-N 3.24Å; L260-I262 VanDerWaalsContact C-N 3.35Å; L260-I262 PolarHBondContact O-N 3.3Å; I262-F264 VanDerWaalsContact C-N 3.31Å; I262-F264 PolarHBondContact O-N 3.09Å; I262-A265 PolarHBondContact O-N 3.08Å; I262-L266 HydrophobicContact CG2-CD1 3.82Å; I262-L266 HydrophobicContact CG2-CG 4.38Å; I262-L266 WeakPolarHBondContact O-CB 3.48Å; I262-L266 VanDerWaalsContact O-CG 3.24Å; I262-L266 WeakPolarHBondContact O-CG 3.19Å; I262-L266 PolarHBondContact O-N 2.73Å |
| 263 | L | 95.8 | Very high | 92.6 | Very high | 88 Ų | 88 | 48.2 Ų | 48.2 | 46% | 0.461 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 178.4 | -69.1 | 175.4 | 0 | 0 | 0 | 111.9 | I259 L260 T267 | I259-L263 HydrophobicContact CG2-CD1 4.03Å; I259-L263 HydrophobicContact CG2-CG 4.32Å; I259-L263 VanDerWaalsContact O-CG 3.28Å; I259-L263 WeakPolarHBondContact O-CG 3.41Å; I259-L263 PolarHBondContact O-N 3.33Å; L260-L263 PolarHBondContact O-N 3.49Å; L263-T267 WeakPolarHBondContact O-CB 3.42Å; L263-T267 PolarHBondContact O-N 3.43Å; L263-T267 PolarHBondContact O-OG1 2.91Å |
| 264 | F | 94.4 | Very high | 91 | Very high | 46 Ų | 46 | 54.1 Ų | 54.1 | 20% | 0.202 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.2 | -49.6 | 177.9 | -71.3 | 6 | 0 | 0 | 0 | 110.8 | L7 I10 L11 L260 F261 I262 L266 T267 I268 | L7-F264 HydrophobicContact CD1-CB 3.83Å; L7-F264 HydrophobicContact CD1-CD1 3.23Å; L7-F264 HydrophobicContact CD1-CD2 3.54Å; L7-F264 HydrophobicContact CD1-CE1 3.45Å; L7-F264 VanDerWaalsContact CD1-CE1 3.45Å; L7-F264 HydrophobicContact CD1-CE2 3.77Å; L7-F264 HydrophobicContact CD1-CG 3.24Å; L7-F264 HydrophobicContact CD1-CZ 3.71Å; L7-F264 HydrophobicContact CD2-CB 4.31Å; L7-F264 HydrophobicContact CG-CB 4.05Å; L7-F264 HydrophobicContact CG-CD1 4.3Å; L7-F264 HydrophobicContact CG-CD2 4.34Å; L7-F264 HydrophobicContact CG-CG 3.99Å; I10-F264 HydrophobicContact CG2-CE2 3.87Å; L11-F264 HydrophobicContact CD1-CB 4.5Å; L260-F264 WeakPolarHBondContact O-CB 3.3Å; L260-F264 WeakPolarHBondContact O-CD1 3.03Å; L260-F264 WeakPolarHBondContact O-CG 3.09Å; L260-F264 PolarHBondContact O-N 2.93Å; F261-F264 PolarHBondContact O-N 3.35Å; I262-F264 VanDerWaalsContact C-N 3.31Å; I262-F264 PolarHBondContact O-N 3.09Å; F264-L266 PolarHBondContact O-N 3.39Å; F264-T267 PolarHBondContact O-N 3.03Å; F264-I268 VanDerWaalsContact O-CG1 3.27Å; F264-I268 WeakPolarHBondContact O-CG1 3.35Å; F264-I268 PolarHBondContact O-N 3.13Å |
| 265 | A | 94.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I104 Y107 F261 I262 T267 I268 I269 | I104-A265 HydrophobicContact CG2-CB 3.86Å; Y107-A265 HydrophobicContact CD1-CB 4.29Å; Y107-A265 HydrophobicContact CE1-CB 4.25Å; F261-A265 WeakPolarHBondContact O-CB 3.48Å; F261-A265 PolarHBondContact O-N 3.2Å; I262-A265 PolarHBondContact O-N 3.08Å; A265-T267 VanDerWaalsContact C-N 3.33Å; A265-T267 PolarHBondContact O-N 2.65Å; A265-I268 PolarHBondContact O-N 3.32Å; A265-I269 VanDerWaalsContact O-CG1 3.29Å; A265-I269 WeakPolarHBondContact O-CG1 3.39Å; A265-I269 PolarHBondContact O-N 2.78Å |
| 266 | L | 94.5 | Very high | 87.2 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 28% | 0.277 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 177 | -73.6 | 173.9 | 0 | 0 | 0 | 112.2 | L108 I262 F264 I269 R270 | L108-L266 HydrophobicContact CD1-CG 4.49Å; L108-L266 HydrophobicContact CD2-CD2 3.67Å; L108-L266 HydrophobicContact CD2-CG 4.28Å; I262-L266 HydrophobicContact CG2-CD1 3.82Å; I262-L266 HydrophobicContact CG2-CG 4.38Å; I262-L266 WeakPolarHBondContact O-CB 3.48Å; I262-L266 VanDerWaalsContact O-CG 3.24Å; I262-L266 WeakPolarHBondContact O-CG 3.19Å; I262-L266 PolarHBondContact O-N 2.73Å; F264-L266 PolarHBondContact O-N 3.39Å; L266-I269 PolarHBondContact O-N 2.54Å; L266-R270 WeakPolarHBondContact O-CB 3.49Å; L266-R270 WeakPolarHBondContact O-CG 3.21Å; L266-R270 PolarHBondContact O-N 3.26Å |
| 267 | T | 93.1 | Very high | 84.6 | Confident | 50 Ų | 50 | 68.5 Ų | 68.5 | 31% | 0.307 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | L7 L263 F264 A265 R270 T271 | L7-T267 HydrophobicContact CD2-CG2 3.89Å; L263-T267 WeakPolarHBondContact O-CB 3.42Å; L263-T267 PolarHBondContact O-N 3.43Å; L263-T267 PolarHBondContact O-OG1 2.91Å; F264-T267 PolarHBondContact O-N 3.03Å; A265-T267 VanDerWaalsContact C-N 3.33Å; A265-T267 PolarHBondContact O-N 2.65Å; T267-R270 PolarHBondContact O-N 2.8Å; T267-T271 PolarHBondContact O-N 3.43Å; T267-T271 VanDerWaalsContact O-N 3.1Å; T267-T271 PolarHBondContact O-OG1 2.97Å |
| 268 | I | 91.2 | Very high | 82 | Confident | 5 Ų | 5 | 76.8 Ų | 76.8 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 175.9 | -68.1 | 164.4 | 0 | 0 | 0 | 111 | L7 R8 L11 I104 F264 A265 G272 | L7-I268 HydrophobicContact CD2-CD1 4.41Å; L7-I268 HydrophobicContact CD2-CG1 3.92Å; L7-I268 HydrophobicContact CG-CD1 4.48Å; L7-I268 HydrophobicContact CG-CG1 4.46Å; R8-I268 HydrophobicContact CG-CD1 3.9Å; R8-I268 HydrophobicContact CG-CG1 4.15Å; L11-I268 HydrophobicContact CD2-CD1 3.77Å; I104-I268 HydrophobicContact CD1-CG2 3.79Å; F264-I268 VanDerWaalsContact O-CG1 3.27Å; F264-I268 WeakPolarHBondContact O-CG1 3.35Å; F264-I268 PolarHBondContact O-N 3.13Å; A265-I268 PolarHBondContact O-N 3.32Å; I268-G272 PolarHBondContact O-N 2.8Å |
| 269 | I | 91.4 | Very high | 81.3 | Confident | 6 Ų | 6 | 79.5 Ų | 79.5 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 178.4 | -66.6 | 169.7 | 0 | 0 | 0 | 110.9 | I104 Y105 A265 L266 G272 R273 | I104-I269 HydrophobicContact CB-CD1 4.42Å; I104-I269 HydrophobicContact CB-CG1 4.33Å; I104-I269 HydrophobicContact CG2-CD1 3.77Å; I104-I269 HydrophobicContact CG2-CG1 3.79Å; Y105-I269 HydrophobicContact CD1-CD1 3.86Å; Y105-I269 HydrophobicContact CE1-CD1 3.77Å; Y105-I269 HydrophobicContact CE1-CG2 4.16Å; Y105-I269 HydrophobicContact CG-CD1 4.42Å; Y105-I269 WeakPolarHBondContact OH-CG2 3.01Å; A265-I269 VanDerWaalsContact O-CG1 3.29Å; A265-I269 WeakPolarHBondContact O-CG1 3.39Å; A265-I269 PolarHBondContact O-N 2.78Å; L266-I269 PolarHBondContact O-N 2.54Å; I269-G272 PolarHBondContact O-N 2.68Å; I269-R273 PolarHBondContact O-N 3.19Å |
| 270 | R | 90.4 | Very high | 80.5 | Confident | 166 Ų | 166 | 79.8 Ų | 79.8 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.1 | -46.3 | -177.9 | -77.3 | 178.5 | -180 | 163.2 | 0.9 | 112 | L266 T267 G272 R273 | L266-R270 WeakPolarHBondContact O-CB 3.49Å; L266-R270 WeakPolarHBondContact O-CG 3.21Å; L266-R270 PolarHBondContact O-N 3.26Å; T267-R270 PolarHBondContact O-N 2.8Å; R270-G272 VanDerWaalsContact C-N 3.32Å; R270-G272 PolarHBondContact O-N 3.22Å; R270-R273 PolarHBondContact O-N 3.26Å |
| 271 | T | 85.8 | Confident | 79.7 | Confident | 28 Ų | 28 | 79.7 Ų | 79.7 | 17% | 0.172 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.2 | -31.2 | 177.9 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | I4 T267 R273 K274 I275 | I4-T271 HydrophobicContact CD1-CG2 3.38Å; I4-T271 HydrophobicContact CG1-CG2 4.46Å; T267-T271 PolarHBondContact O-N 3.43Å; T267-T271 VanDerWaalsContact O-N 3.1Å; T267-T271 PolarHBondContact O-OG1 2.97Å; T271-R273 PolarHBondContact O-N 3.36Å; T271-K274 PolarHBondContact O-N 2.78Å; T271-K274 VanDerWaalsContact O-N 3.16Å; T271-I275 HydrophobicContact CG2-CD1 4.33Å |
| 272 | G | 77.5 | Confident | 78.7 | Confident | 15 Ų | 15 | 83.9 Ų | 83.9 | 16% | 0.155 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.4 | -36.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | R101 I268 I269 R270 | R101-G272 PolarHBondContact NH2-O 2.84Å; I268-G272 PolarHBondContact O-N 2.8Å; I269-G272 PolarHBondContact O-N 2.68Å; R270-G272 VanDerWaalsContact C-N 3.32Å; R270-G272 PolarHBondContact O-N 3.22Å |
| 273 | R | 74.4 | Confident | 77.6 | Confident | 144 Ų | 144 | 87.8 Ų | 87.8 | 54% | 0.543 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 176.6 | -66.7 | -173.8 | -164 | 172.4 | 2.8 | 112.6 | Y105 I269 R270 T271 I275 K276 | Y105-R273 PolarHBondContact OH-NH2 3.37Å; I269-R273 PolarHBondContact O-N 3.19Å; R270-R273 PolarHBondContact O-N 3.26Å; T271-R273 PolarHBondContact O-N 3.36Å; R273-I275 PolarHBondContact O-N 3.19Å; R273-K276 PolarHBondContact O-N 3.27Å; R273-K276 VanDerWaalsContact O-N 3.16Å |
| 274 | K | 63.4 | Low | 76.4 | Confident | 174 Ų | 174 | 87.7 Ų | 87.7 | 76% | 0.757 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.1 | -18.1 | -178.7 | -65.9 | -169.2 | 176.5 | -171.7 | 0 | 114.2 | T271 P277 | T271-K274 PolarHBondContact O-N 2.78Å; T271-K274 VanDerWaalsContact O-N 3.16Å; K274-P277 WeakPolarHBondContact O-CD 3.16Å |
| 275 | I | 59.7 | Low | 75.1 | Confident | 120 Ų | 120 | 90.7 Ų | 90.7 | 62% | 0.615 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -8.1 | -179 | -57.1 | 167.8 | 0 | 0 | 0 | 111.7 | T271 R273 | T271-I275 HydrophobicContact CG2-CD1 4.33Å; R273-I275 PolarHBondContact O-N 3.19Å |
| 276 | K | 53 | Low | 73.7 | Confident | 169 Ų | 169 | 97.7 Ų | 97.7 | 74% | 0.735 | 47% | 0.471 | S | S | * | . | trans | -108.3 | 64.1 | 172.7 | -71.8 | -162.7 | 175.4 | -165 | 0 | 114.1 | R273 | R273-K276 PolarHBondContact O-N 3.27Å; R273-K276 VanDerWaalsContact O-N 3.16Å | ||
| 277 | P | 42.7 | Very low | 71.9 | Confident | 96 Ų | 96 | 101.4 Ų | 101.4 | 62% | 0.623 | 49% | 0.487 | S | S | * | . | trans | -115.6 | 91.3 | 149.6 | 34 | -20.5 | 0 | 0 | 0 | 108.4 | K274 | K274-P277 WeakPolarHBondContact O-CD 3.16Š| ||
| 278 | I | 40.7 | Very low | 70 | Confident | 244 Ų | 244 | 106.1 Ų | 106.1 | 100% | 1.251 | 50% | 0.503 | S | S | * | . | trans | -172.3 | 0 | 152.5 | -81 | 136.2 | 0 | 0 | 0 | 104.9 |
Retrieved 278 of 278 residues in 316.2 ms
(Link to these results)