| 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 | 74.1 | Confident | 90.6 | Very high | 186 Ų | 186 | 90.1 Ų | 90.1 | 92% | 0.916 | 49% | 0.494 | S | S | * | . | 0 | 82.8 | 0 | -73.3 | -68.5 | -168.2 | 0 | 0 | 109.3 | M3 A4 N5 | M1-M3 VanDerWaalsContact C-N 3.29Å; M1-M3 PolarHBondContact O-N 2.87Å; M1-A4 HydrophobicContact CB-CB 3.75Å; M1-A4 PolarHBondContact O-N 2.99Å; M1-A4 VanDerWaalsContact O-N 3.13Å; M1-N5 PolarHBondContact O-N 3.19Å | |||
| 2 | P | 84.3 | Confident | 91 | Very high | 113 Ų | 113 | 88.3 Ų | 88.3 | 73% | 0.734 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.7 | -36 | -173.5 | 24.7 | -33.7 | 0 | 0 | 0 | 112.9 | A4 N5 L6 | P2-A4 VanDerWaalsContact C-N 3.34Å; P2-A4 PolarHBondContact O-N 3.01Å; P2-N5 PolarHBondContact O-N 3.24Å; P2-L6 PolarHBondContact O-N 3.06Å; P2-L6 VanDerWaalsContact O-N 3.08Å |
| 3 | M | 89.3 | Confident | 91.3 | Very high | 121 Ų | 121 | 82.5 Ų | 82.5 | 60% | 0.596 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.8 | -36.9 | 176.2 | -170.7 | 62 | -173.7 | 0 | 0 | 112.8 | M1 L6 L7 | M1-M3 VanDerWaalsContact C-N 3.29Å; M1-M3 PolarHBondContact O-N 2.87Å; M3-L6 HydrophobicContact CE-CD2 4.43Å; M3-L6 PolarHBondContact O-N 3.19Å; M3-L6 HydrophobicContact SD-CD2 4.34Å; M3-L7 HydrophobicContact CE-CD1 4.42Å; M3-L7 HydrophobicContact CE-CD2 4.47Å; M3-L7 HydrophobicContact CE-CG 4.32Å; M3-L7 WeakPolarHBondContact O-CG 3.39Å; M3-L7 PolarHBondContact O-N 3.13Å |
| 4 | A | 92.9 | Very high | 91.5 | Very high | 43 Ų | 43 | 80.5 Ų | 80.5 | 36% | 0.355 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1 P2 L6 L7 L8 | M1-A4 HydrophobicContact CB-CB 3.75Å; M1-A4 PolarHBondContact O-N 2.99Å; M1-A4 VanDerWaalsContact O-N 3.13Å; P2-A4 VanDerWaalsContact C-N 3.34Å; P2-A4 PolarHBondContact O-N 3.01Å; A4-L6 VanDerWaalsContact C-N 3.33Å; A4-L6 PolarHBondContact O-N 3.47Å; A4-L7 PolarHBondContact O-N 2.74Å; A4-L8 WeakPolarHBondContact O-CB 3.21Å; A4-L8 VanDerWaalsContact O-CG 3.26Å; A4-L8 WeakPolarHBondContact O-CG 3.39Å; A4-L8 PolarHBondContact O-N 2.91Å |
| 5 | N | 92.4 | Very high | 91.8 | Very high | 93 Ų | 93 | 80.4 Ų | 80.4 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 175.6 | -71.7 | 7 | 0 | 0 | 0 | 111.9 | M1 P2 L8 L9 L95 | M1-N5 PolarHBondContact O-N 3.19Å; P2-N5 PolarHBondContact O-N 3.24Å; N5-L8 PolarHBondContact O-N 3.04Å; N5-L9 PolarHBondContact O-N 2.65Å; N5-L95 HydrophobicContact CB-CD1 3.69Å |
| 6 | L | 92.9 | Very high | 92 | Very high | 64 Ų | 64 | 78.2 Ų | 78.2 | 34% | 0.335 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 176.4 | -178.7 | 145.1 | 0 | 0 | 0 | 111.8 | P2 M3 A4 L9 I10 | P2-L6 PolarHBondContact O-N 3.06Å; P2-L6 VanDerWaalsContact O-N 3.08Å; M3-L6 HydrophobicContact CE-CD2 4.43Å; M3-L6 PolarHBondContact O-N 3.19Å; M3-L6 HydrophobicContact SD-CD2 4.34Å; A4-L6 VanDerWaalsContact C-N 3.33Å; A4-L6 PolarHBondContact O-N 3.47Å; L6-L9 PolarHBondContact O-N 3.22Å; L6-I10 HydrophobicContact CD2-CD1 3.46Å; L6-I10 VanDerWaalsContact CD2-CD1 3.46Å; L6-I10 HydrophobicContact CD2-CG1 4.47Å; L6-I10 HydrophobicContact CG-CD1 3.89Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.35Å |
| 7 | L | 93.1 | Very high | 92.1 | Very high | 88 Ų | 88 | 74 Ų | 74 | 46% | 0.461 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 175.4 | -71.9 | 169.8 | 0 | 0 | 0 | 112.1 | M3 A4 L9 I10 V11 | M3-L7 HydrophobicContact CE-CD1 4.42Å; M3-L7 HydrophobicContact CE-CD2 4.47Å; M3-L7 HydrophobicContact CE-CG 4.32Å; M3-L7 WeakPolarHBondContact O-CG 3.39Å; M3-L7 PolarHBondContact O-N 3.13Å; A4-L7 PolarHBondContact O-N 2.74Å; L7-L9 PolarHBondContact O-N 3.05Å; L7-I10 PolarHBondContact O-N 3.31Å; L7-V11 WeakPolarHBondContact O-CB 3.04Å; L7-V11 WeakPolarHBondContact O-CG2 3.42Å; L7-V11 PolarHBondContact O-N 3.18Å |
| 8 | L | 94 | Very high | 92.2 | Very high | 124 Ų | 124 | 70.9 Ų | 70.9 | 65% | 0.649 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.1 | -21 | 175.3 | -73.4 | 167.1 | 0 | 0 | 0 | 113 | A4 N5 P12 | A4-L8 WeakPolarHBondContact O-CB 3.21Å; A4-L8 VanDerWaalsContact O-CG 3.26Å; A4-L8 WeakPolarHBondContact O-CG 3.39Å; A4-L8 PolarHBondContact O-N 2.91Å; N5-L8 PolarHBondContact O-N 3.04Å; L8-P12 WeakPolarHBondContact O-CD 3.37Å; L8-P12 WeakPolarHBondContact O-CG 3.37Å |
| 9 | L | 93.4 | Very high | 92.4 | Very high | 40 Ų | 40 | 70.8 Ų | 70.8 | 21% | 0.209 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -81.5 | -54.8 | 170.8 | -176.9 | 69.7 | 0 | 0 | 0 | 110.8 | N5 L6 L7 P12 I13 W86 L95 | N5-L9 PolarHBondContact O-N 2.65Å; L6-L9 PolarHBondContact O-N 3.22Å; L7-L9 PolarHBondContact O-N 3.05Å; L9-P12 WeakPolarHBondContact O-CD 3.27Å; L9-I13 HydrophobicContact CD1-CD1 3.86Å; L9-I13 HydrophobicContact CG-CD1 3.74Å; L9-I13 WeakPolarHBondContact O-CD1 3.07Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 3.46Å; L9-W86 HydrophobicContact CD2-CB 4.27Å; L9-L95 HydrophobicContact CD2-CB 4.23Å; L9-L95 HydrophobicContact CD2-CD2 3.88Å |
| 10 | I | 94.6 | Very high | 92.5 | Very high | 44 Ų | 44 | 68 Ų | 68 | 23% | 0.226 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.8 | -43.1 | -169.5 | -65.1 | 173.2 | 0 | 0 | 0 | 112.2 | L6 L7 I13 L14 L83 | L6-I10 HydrophobicContact CD2-CD1 3.46Å; L6-I10 VanDerWaalsContact CD2-CD1 3.46Å; L6-I10 HydrophobicContact CD2-CG1 4.47Å; L6-I10 HydrophobicContact CG-CD1 3.89Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.35Å; L7-I10 PolarHBondContact O-N 3.31Å; I10-I13 PolarHBondContact O-N 2.93Å; I10-L14 HydrophobicContact CG2-CD1 3.95Å; I10-L14 HydrophobicContact CG2-CG 4.33Å; I10-L14 WeakPolarHBondContact O-CG 3.19Å; I10-L14 PolarHBondContact O-N 2.96Å; I10-L83 HydrophobicContact CG2-CD1 4.13Å; I10-L83 HydrophobicContact CG2-CD2 4.13Å |
| 11 | V | 95.3 | Very high | 92.5 | Very high | 75 Ų | 75 | 66.5 Ų | 66.5 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -49.3 | -174.2 | 173 | 0 | 0 | 0 | 0 | 111.5 | L7 I13 L14 I15 | L7-V11 WeakPolarHBondContact O-CB 3.04Å; L7-V11 WeakPolarHBondContact O-CG2 3.42Å; L7-V11 PolarHBondContact O-N 3.18Å; V11-I13 VanDerWaalsContact C-N 3.32Å; V11-I13 PolarHBondContact O-N 3.32Å; V11-L14 PolarHBondContact O-N 2.87Å; V11-I15 HydrophobicContact CG1-CD1 3.84Å; V11-I15 WeakPolarHBondContact O-CG1 3.37Å; V11-I15 PolarHBondContact O-N 3.39Å |
| 12 | P | 95 | Very high | 93.5 | Very high | 68 Ų | 68 | 58 Ų | 58 | 44% | 0.442 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.3 | -34.5 | 175.2 | -27 | 38.7 | 0 | 0 | 0 | 114 | L8 L9 I15 A16 | L8-P12 WeakPolarHBondContact O-CD 3.37Å; L8-P12 WeakPolarHBondContact O-CG 3.37Å; L9-P12 WeakPolarHBondContact O-CD 3.27Å; P12-I15 PolarHBondContact O-N 2.92Å; P12-A16 VanDerWaalsContact O-CB 3.28Å; P12-A16 WeakPolarHBondContact O-CB 3.38Å; P12-A16 PolarHBondContact O-N 2.93Å |
| 13 | I | 95.4 | Very high | 93.9 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 176.9 | -68.2 | 163.4 | 0 | 0 | 0 | 110.8 | L9 I10 V11 I15 A16 M17 L83 W86 T229 | L9-I13 HydrophobicContact CD1-CD1 3.86Å; L9-I13 HydrophobicContact CG-CD1 3.74Å; L9-I13 WeakPolarHBondContact O-CD1 3.07Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 3.46Å; I10-I13 PolarHBondContact O-N 2.93Å; V11-I13 VanDerWaalsContact C-N 3.32Å; V11-I13 PolarHBondContact O-N 3.32Å; I13-I15 VanDerWaalsContact C-N 3.32Å; I13-I15 PolarHBondContact O-N 3.36Å; I13-A16 PolarHBondContact O-N 3.05Å; I13-M17 WeakPolarHBondContact O-CB 3.08Å; I13-M17 PolarHBondContact O-N 3.29Å; I13-L83 HydrophobicContact CG2-CD2 4.41Å; I13-W86 HydrophobicContact CD1-CB 3.9Å; I13-W86 HydrophobicContact CD1-CD2 3.47Å; I13-W86 VanDerWaalsContact CD1-CD2 3.47Å; I13-W86 HydrophobicContact CD1-CE3 3.69Å; I13-W86 HydrophobicContact CD1-CG 3.57Å; I13-W86 HydrophobicContact CD1-CZ3 4.36Å; I13-W86 HydrophobicContact CG1-CD2 4.1Å; I13-W86 HydrophobicContact CG1-CE3 4.09Å; I13-W86 HydrophobicContact CG1-CH2 4.42Å; I13-W86 HydrophobicContact CG1-CZ2 4.47Å; I13-W86 HydrophobicContact CG1-CZ3 4.27Å; I13-W86 HydrophobicContact CG2-CD2 4.41Å; I13-W86 HydrophobicContact CG2-CZ2 3.91Å; I13-T229 HydrophobicContact CG2-CG2 4Å |
| 14 | L | 94.3 | Very high | 94.2 | Very high | 55 Ų | 55 | 50.1 Ų | 50.1 | 29% | 0.288 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 177.2 | -68.2 | 174.8 | 0 | 0 | 0 | 111.7 | I10 V11 M17 A18 L83 | I10-L14 HydrophobicContact CG2-CD1 3.95Å; I10-L14 HydrophobicContact CG2-CG 4.33Å; I10-L14 WeakPolarHBondContact O-CG 3.19Å; I10-L14 PolarHBondContact O-N 2.96Å; V11-L14 PolarHBondContact O-N 2.87Å; L14-M17 HydrophobicContact CB-CE 4.36Å; L14-M17 HydrophobicContact CD2-CE 3.86Å; L14-M17 WeakPolarHBondContact O-CE 3.3Å; L14-A18 PolarHBondContact O-N 3.44Å; L14-L83 HydrophobicContact CD2-CD2 4.44Å |
| 15 | I | 95.3 | Very high | 94.2 | Very high | 79 Ų | 79 | 52.9 Ų | 52.9 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 173.9 | -65.6 | 167.1 | 0 | 0 | 0 | 110.5 | V11 P12 I13 M17 A18 F19 | V11-I15 HydrophobicContact CG1-CD1 3.84Å; V11-I15 WeakPolarHBondContact O-CG1 3.37Å; V11-I15 PolarHBondContact O-N 3.39Å; P12-I15 PolarHBondContact O-N 2.92Å; I13-I15 VanDerWaalsContact C-N 3.32Å; I13-I15 PolarHBondContact O-N 3.36Å; I15-M17 PolarHBondContact O-N 3.49Å; I15-A18 WeakPolarHBondContact O-CB 3.35Å; I15-A18 PolarHBondContact O-N 2.98Å; I15-A18 VanDerWaalsContact O-N 3.17Å; I15-F19 HydrophobicContact CG2-CD2 3.73Å; I15-F19 HydrophobicContact CG2-CE2 3.69Å; I15-F19 VanDerWaalsContact O-CD2 3.29Å; I15-F19 WeakPolarHBondContact O-CD2 3.29Å; I15-F19 PolarHBondContact O-N 3.48Å |
| 16 | A | 94.9 | Very high | 94.3 | Very high | 45 Ų | 45 | 50.3 Ų | 50.3 | 37% | 0.372 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P12 I13 A18 F19 L20 I232 | P12-A16 VanDerWaalsContact O-CB 3.28Å; P12-A16 WeakPolarHBondContact O-CB 3.38Å; P12-A16 PolarHBondContact O-N 2.93Å; I13-A16 PolarHBondContact O-N 3.05Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.17Å; A16-F19 PolarHBondContact O-N 3.34Å; A16-L20 WeakPolarHBondContact O-CB 3.19Å; A16-L20 PolarHBondContact O-N 3.4Å; A16-I232 HydrophobicContact CB-CD1 4.29Å |
| 17 | M | 95.1 | Very high | 94.3 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.034 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 172.4 | 163.8 | -82.1 | -66.4 | 0 | 0 | 111.6 | I13 L14 I15 F19 L20 M21 M225 T229 I232 | I13-M17 WeakPolarHBondContact O-CB 3.08Å; I13-M17 PolarHBondContact O-N 3.29Å; L14-M17 HydrophobicContact CB-CE 4.36Å; L14-M17 HydrophobicContact CD2-CE 3.86Å; L14-M17 WeakPolarHBondContact O-CE 3.3Å; I15-M17 PolarHBondContact O-N 3.49Å; M17-F19 VanDerWaalsContact C-N 3.33Å; M17-F19 PolarHBondContact O-N 3.02Å; M17-L20 WeakPolarHBondContact O-CB 3.26Å; M17-L20 PolarHBondContact O-N 3.43Å; M17-L20 VanDerWaalsContact O-N 3.11Å; M17-M21 PolarHBondContact O-N 2.79Å; M17-M21 HydrophobicContact SD-CE 3.99Å; M17-M225 HydrophobicContact CE-CB 3.81Å; M17-M225 HydrophobicContact CE-CG 3.36Å; M17-M225 HydrophobicContact CE-SD 3.64Å; M17-M225 HydrophobicContact SD-CB 4.31Å; M17-M225 HydrophobicContact SD-CG 3.82Å; M17-T229 HydrophobicContact CB-CG2 3.94Å; M17-T229 HydrophobicContact CG-CG2 4.13Å; M17-I232 HydrophobicContact CB-CD1 4.44Å |
| 18 | A | 93.8 | Very high | 94.3 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L14 I15 A16 M21 P48 | L14-A18 PolarHBondContact O-N 3.44Å; I15-A18 WeakPolarHBondContact O-CB 3.35Å; I15-A18 PolarHBondContact O-N 2.98Å; I15-A18 VanDerWaalsContact O-N 3.17Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.17Å; A18-M21 PolarHBondContact O-N 3.19Å; A18-P48 HydrophobicContact CB-CB 3.87Å; A18-P48 VanDerWaalsContact O-CB 3.26Å; A18-P48 WeakPolarHBondContact O-CB 3.45Å; A18-P48 WeakPolarHBondContact O-CG 3.47Å |
| 19 | F | 94.9 | Very high | 94.2 | Very high | 70 Ų | 70 | 40.5 Ų | 40.5 | 31% | 0.307 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -72.2 | -27.7 | 175.2 | -77.5 | -69.8 | 0 | 0 | 0 | 113.4 | I15 A16 M17 M21 L22 T23 L45 P48 F49 | I15-F19 HydrophobicContact CG2-CD2 3.73Å; I15-F19 HydrophobicContact CG2-CE2 3.69Å; I15-F19 VanDerWaalsContact O-CD2 3.29Å; I15-F19 WeakPolarHBondContact O-CD2 3.29Å; I15-F19 PolarHBondContact O-N 3.48Å; A16-F19 PolarHBondContact O-N 3.34Å; M17-F19 VanDerWaalsContact C-N 3.33Å; M17-F19 PolarHBondContact O-N 3.02Å; F19-M21 VanDerWaalsContact C-N 3.27Å; F19-M21 PolarHBondContact O-N 2.72Å; F19-L22 HydrophobicContact CD1-CD2 4.28Å; F19-L22 WeakPolarHBondContact O-CB 3.33Å; F19-L22 PolarHBondContact O-N 3.48Å; F19-L22 VanDerWaalsContact O-N 3.08Å; F19-T23 WeakPolarHBondContact O-CG2 3.36Å; F19-T23 PolarHBondContact O-N 3.32Å; F19-L45 HydrophobicContact CE1-CD2 4.16Å; F19-P48 HydrophobicContact CD1-CG 4.5Å; F19-F49 HydrophobicContact CZ-CE2 4.17Å |
| 20 | L | 94.8 | Very high | 94.3 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -34.7 | 174.3 | -173.9 | 139.1 | 0 | 0 | 0 | 111.8 | A16 M17 L22 T23 E24 Y228 I232 T267 | A16-L20 WeakPolarHBondContact O-CB 3.19Å; A16-L20 PolarHBondContact O-N 3.4Å; M17-L20 WeakPolarHBondContact O-CB 3.26Å; M17-L20 PolarHBondContact O-N 3.43Å; M17-L20 VanDerWaalsContact O-N 3.11Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.17Å; L20-T23 WeakPolarHBondContact CA-OG1 3.48Å; L20-T23 PolarHBondContact O-N 3.07Å; L20-T23 PolarHBondContact O-OG1 3.03Å; L20-E24 VanDerWaalsContact O-CB 3.3Å; L20-E24 WeakPolarHBondContact O-CB 3.06Å; L20-E24 PolarHBondContact O-N 3.39Å; L20-Y228 HydrophobicContact CD2-CD1 3.18Å; L20-Y228 HydrophobicContact CD2-CE1 3.65Å; L20-Y228 HydrophobicContact CD2-CG 4.13Å; L20-I232 HydrophobicContact CB-CD1 4.29Å; L20-I232 HydrophobicContact CD1-CD1 3.97Å; L20-I232 HydrophobicContact CD1-CG1 3.57Å; L20-T267 HydrophobicContact CD1-CG2 4.39Å |
| 21 | M | 92.6 | Very high | 94.2 | Very high | 36 Ų | 36 | 47 Ų | 47 | 18% | 0.177 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -37.9 | 171.7 | -64 | -167.6 | -77.7 | 0 | 0 | 112.5 | M17 A18 F19 R25 Y228 | M17-M21 PolarHBondContact O-N 2.79Å; M17-M21 HydrophobicContact SD-CE 3.99Å; A18-M21 PolarHBondContact O-N 3.19Å; F19-M21 VanDerWaalsContact C-N 3.27Å; F19-M21 PolarHBondContact O-N 2.72Å; M21-R25 WeakPolarHBondContact O-CG 3.49Å; M21-R25 PolarHBondContact O-N 2.98Å; M21-Y228 HydrophobicContact CG-CD2 3.73Å; M21-Y228 HydrophobicContact CG-CE2 3.64Å; M21-Y228 HydrophobicContact CG-CG 4.26Å; M21-Y228 HydrophobicContact SD-CD2 4.07Å; M21-Y228 HydrophobicContact SD-CE2 3.97Å |
| 22 | L | 94.7 | Very high | 94.1 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67 | -48.7 | 175 | -179 | 84.3 | 0 | 0 | 0 | 111.1 | F19 L20 E24 R25 K26 G44 L45 Q47 P48 | F19-L22 HydrophobicContact CD1-CD2 4.28Å; F19-L22 WeakPolarHBondContact O-CB 3.33Å; F19-L22 PolarHBondContact O-N 3.48Å; F19-L22 VanDerWaalsContact O-N 3.08Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.17Å; L22-E24 VanDerWaalsContact C-N 3.29Å; L22-E24 PolarHBondContact O-N 3.31Å; L22-R25 PolarHBondContact O-N 3.47Å; L22-K26 PolarHBondContact O-N 3.01Å; L22-G44 WeakPolarHBondContact CD1-O 3.38Å; L22-L45 HydrophobicContact CD2-CD2 4.27Å; L22-Q47 HydrophobicContact CD1-CB 3.83Å; L22-P48 HydrophobicContact CB-CG 3.93Å |
| 23 | T | 93.6 | Very high | 94.1 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 37% | 0.368 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | -177.4 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | F19 L20 K26 I27 | F19-T23 WeakPolarHBondContact O-CG2 3.36Å; F19-T23 PolarHBondContact O-N 3.32Å; L20-T23 WeakPolarHBondContact CA-OG1 3.48Å; L20-T23 PolarHBondContact O-N 3.07Å; L20-T23 PolarHBondContact O-OG1 3.03Å; T23-K26 PolarHBondContact O-N 3.49Å; T23-I27 WeakPolarHBondContact O-CB 3.33Å; T23-I27 VanDerWaalsContact O-CG1 3.3Å; T23-I27 WeakPolarHBondContact O-CG1 3.48Å; T23-I27 PolarHBondContact O-N 3.45Å |
| 24 | E | 94.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.9 | -55.7 | 172.2 | 172.6 | 164.4 | 158.3 | 0 | 0 | 111.8 | L20 L22 K26 I27 L28 R195 Y228 L271 R274 | L20-E24 VanDerWaalsContact O-CB 3.3Å; L20-E24 WeakPolarHBondContact O-CB 3.06Å; L20-E24 PolarHBondContact O-N 3.39Å; L22-E24 VanDerWaalsContact C-N 3.29Å; L22-E24 PolarHBondContact O-N 3.31Å; E24-K26 PolarHBondContact O-N 2.9Å; E24-I27 PolarHBondContact O-N 3.42Å; E24-L28 HydrophobicContact CG-CD1 3.42Å; E24-L28 VanDerWaalsContact CG-CD1 3.42Å; E24-L28 HydrophobicContact CG-CG 4.13Å; E24-L28 VanDerWaalsContact O-CB 3.25Å; E24-L28 WeakPolarHBondContact O-CB 3.42Å; E24-L28 WeakPolarHBondContact O-CD1 3.28Å; E24-L28 WeakPolarHBondContact O-CG 3.48Å; E24-L28 PolarHBondContact O-N 3.03Å; E24-R195 IonicContact OE1-NH2 2.62Å; E24-R195 PolarHBondContact OE1-NH2 3.4Å; E24-R195 VanDerWaalsContact OE1-NH2 3.1Å; E24-R195 IonicContact OE2-CZ 3.15Å; E24-R195 IonicContact OE2-NH2 2.72Å; E24-R195 PolarHBondContact OE2-NH2 2.68Å; E24-Y228 PolarHBondContact OE1-OH 3.43Å; E24-Y228 WeakPolarHBondContact OE2-CE1 3.45Å; E24-Y228 PolarHBondContact OE2-OH 3.07Å; E24-L271 HydrophobicContact CB-CD1 4.3Å; E24-L271 HydrophobicContact CB-CD2 3.71Å; E24-L271 HydrophobicContact CG-CD2 3.75Å; E24-L271 WeakPolarHBondContact OE2-CD2 3.41Å; E24-R274 IonicContact OE1-CZ 3.89Å; E24-R274 IonicContact OE1-NH1 3.93Å; E24-R274 PolarHBondContact OE1-NH1 2.9Å |
| 25 | R | 93.9 | Very high | 93.9 | Very high | 100 Ų | 100 | 64.1 Ų | 64.1 | 38% | 0.377 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -32.1 | -178.7 | -69.7 | -178.1 | -177.6 | 165.5 | 11.1 | 112.8 | M21 L22 G29 P37 D51 | M21-R25 WeakPolarHBondContact O-CG 3.49Å; M21-R25 PolarHBondContact O-N 2.98Å; L22-R25 PolarHBondContact O-N 3.47Å; R25-G29 PolarHBondContact O-N 3.33Å; R25-G29 VanDerWaalsContact O-N 3.09Å; R25-P37 HydrophobicContact CB-CG 3.87Å; R25-P37 HydrophobicContact CG-CG 4.49Å; R25-D51 IonicContact CZ-OD2 2.9Å; R25-D51 IonicContact NH1-OD1 3Å; R25-D51 IonicContact NH1-OD2 3.65Å; R25-D51 PolarHBondContact NH1-OD2 3.11Å; R25-D51 IonicContact NH2-OD2 3.78Å; R25-D51 PolarHBondContact NH2-OD2 2.92Å |
| 26 | K | 93.8 | Very high | 93.9 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.7 | -49.2 | 176.1 | -77.3 | -172.6 | 173.7 | -178.1 | 0 | 112.3 | L22 T23 E24 G29 Y30 Y43 | L22-K26 PolarHBondContact O-N 3.01Å; T23-K26 PolarHBondContact O-N 3.49Å; E24-K26 PolarHBondContact O-N 2.9Å; K26-G29 PolarHBondContact O-N 3.36Å; K26-Y30 HydrophobicContact CB-CE2 4.42Å; K26-Y30 WeakPolarHBondContact O-CD2 3.4Å; K26-Y30 PolarHBondContact O-N 3.3Å; K26-Y43 WeakPolarHBondContact CE-O 3.08Å; K26-Y43 PolarHBondContact NZ-O 3.36Å |
| 27 | I | 93.8 | Very high | 93.7 | Very high | 48 Ų | 48 | 60 Ų | 60 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.9 | -48.8 | -179.8 | -70.4 | 166.7 | 0 | 0 | 0 | 109.8 | T23 E24 G29 Y30 M31 L271 | T23-I27 WeakPolarHBondContact O-CB 3.33Å; T23-I27 VanDerWaalsContact O-CG1 3.3Å; T23-I27 WeakPolarHBondContact O-CG1 3.48Å; T23-I27 PolarHBondContact O-N 3.45Å; E24-I27 PolarHBondContact O-N 3.42Å; I27-G29 VanDerWaalsContact C-N 3.29Å; I27-G29 PolarHBondContact O-N 3.28Å; I27-Y30 PolarHBondContact O-N 2.67Å; I27-M31 HydrophobicContact CG2-CE 3.52Å; I27-M31 HydrophobicContact CG2-CG 4.45Å; I27-M31 HydrophobicContact CG2-SD 3.59Å; I27-M31 VanDerWaalsContact CG2-SD 3.59Å; I27-M31 WeakPolarHBondContact O-CB 3.39Å; I27-M31 VanDerWaalsContact O-CG 3.31Å; I27-M31 WeakPolarHBondContact O-CG 3.48Å; I27-M31 PolarHBondContact O-N 3.13Å; I27-L271 HydrophobicContact CD1-CD1 3.64Å; I27-L271 HydrophobicContact CG2-CB 4.24Å |
| 28 | L | 92.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 62.1 Ų | 62.1 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55 | -45.5 | 172.7 | -72.4 | 167.1 | 0 | 0 | 0 | 111.3 | E24 Q32 R274 T275 | E24-L28 HydrophobicContact CG-CD1 3.42Å; E24-L28 VanDerWaalsContact CG-CD1 3.42Å; E24-L28 HydrophobicContact CG-CG 4.13Å; E24-L28 VanDerWaalsContact O-CB 3.25Å; E24-L28 WeakPolarHBondContact O-CB 3.42Å; E24-L28 WeakPolarHBondContact O-CD1 3.28Å; E24-L28 WeakPolarHBondContact O-CG 3.48Å; E24-L28 PolarHBondContact O-N 3.03Å; L28-Q32 VanDerWaalsContact O-CB 3.27Å; L28-Q32 WeakPolarHBondContact O-CB 3.26Å; L28-Q32 WeakPolarHBondContact O-CG 3.39Å; L28-Q32 PolarHBondContact O-N 3.29Å; L28-R274 HydrophobicContact CD2-CG 4.25Å; L28-T275 HydrophobicContact CD2-CG2 3.3Å; L28-T275 HydrophobicContact CG-CG2 4.27Å |
| 29 | G | 92.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.1 | -56.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R25 K26 I27 M31 Q32 L33 R34 | R25-G29 PolarHBondContact O-N 3.33Å; R25-G29 VanDerWaalsContact O-N 3.09Å; K26-G29 PolarHBondContact O-N 3.36Å; I27-G29 VanDerWaalsContact C-N 3.29Å; I27-G29 PolarHBondContact O-N 3.28Å; G29-M31 VanDerWaalsContact C-N 3.35Å; G29-M31 PolarHBondContact O-N 3.28Å; G29-Q32 CarbonylContact O-C 3.5Å; G29-Q32 WeakPolarHBondContact O-CA 3.47Å; G29-Q32 PolarHBondContact O-N 3.19Å; G29-Q32 VanDerWaalsContact O-N 3.09Å; G29-L33 PolarHBondContact O-N 2.71Å; G29-R34 CarbonylContact C-O 3.46Å; G29-R34 CarbonylContact O-C 3.4Å; G29-R34 WeakPolarHBondContact O-CG 3.3Å; G29-R34 PolarHBondContact O-N 3.47Å |
| 30 | Y | 94.1 | Very high | 93.2 | Very high | 137 Ų | 137 | 68 Ų | 68 | 54% | 0.537 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | -177.3 | -73.9 | -64.1 | 0 | 0 | 0 | 112.7 | K26 I27 Q32 L33 R34 | K26-Y30 HydrophobicContact CB-CE2 4.42Å; K26-Y30 WeakPolarHBondContact O-CD2 3.4Å; K26-Y30 PolarHBondContact O-N 3.3Å; I27-Y30 PolarHBondContact O-N 2.67Å; Y30-Q32 VanDerWaalsContact C-N 3.26Å; Y30-Q32 PolarHBondContact O-N 3.46Å; Y30-L33 PolarHBondContact O-N 2.87Å; Y30-L33 VanDerWaalsContact O-N 3.12Å; Y30-R34 PolarHBondContact N-O 3.23Å |
| 31 | M | 93.1 | Very high | 93.1 | Very high | 83 Ų | 83 | 68 Ų | 68 | 41% | 0.409 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.2 | -31.1 | 175.2 | -71.5 | 173 | 173.2 | 0 | 0 | 112.3 | I27 G29 L33 W272 T275 | I27-M31 HydrophobicContact CG2-CE 3.52Å; I27-M31 HydrophobicContact CG2-CG 4.45Å; I27-M31 HydrophobicContact CG2-SD 3.59Å; I27-M31 VanDerWaalsContact CG2-SD 3.59Å; I27-M31 WeakPolarHBondContact O-CB 3.39Å; I27-M31 VanDerWaalsContact O-CG 3.31Å; I27-M31 WeakPolarHBondContact O-CG 3.48Å; I27-M31 PolarHBondContact O-N 3.13Å; G29-M31 VanDerWaalsContact C-N 3.35Å; G29-M31 PolarHBondContact O-N 3.28Å; M31-L33 VanDerWaalsContact C-N 3.28Å; M31-L33 PolarHBondContact O-N 3.2Å; M31-W272 HydrophobicContact CE-CB 3.74Å; M31-W272 HydrophobicContact CE-CG 3.73Å; M31-W272 HydrophobicContact SD-CB 4.46Å; M31-W272 HydrophobicContact SD-CG 4.46Å; M31-T275 HydrophobicContact CB-CG2 3.98Å; M31-T275 HydrophobicContact CG-CG2 4.4Å; M31-T275 HydrophobicContact SD-CG2 3.54Å; M31-T275 VanDerWaalsContact SD-CG2 3.54Å; M31-T275 PolarHBondContact SD-OG1 3.24Å |
| 32 | Q | 93.6 | Very high | 93 | Very high | 103 Ų | 103 | 70.5 Ų | 70.5 | 48% | 0.481 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 15.4 | 174.8 | -66.5 | 172.3 | -6.7 | 0 | 0 | 113.4 | L28 G29 Y30 R34 | L28-Q32 VanDerWaalsContact O-CB 3.27Å; L28-Q32 WeakPolarHBondContact O-CB 3.26Å; L28-Q32 WeakPolarHBondContact O-CG 3.39Å; L28-Q32 PolarHBondContact O-N 3.29Å; G29-Q32 CarbonylContact O-C 3.5Å; G29-Q32 WeakPolarHBondContact O-CA 3.47Å; G29-Q32 PolarHBondContact O-N 3.19Å; G29-Q32 VanDerWaalsContact O-N 3.09Å; Y30-Q32 VanDerWaalsContact C-N 3.26Å; Y30-Q32 PolarHBondContact O-N 3.46Å; Q32-R34 HydrophobicContact CB-CG 4.22Å; Q32-R34 PolarHBondContact O-N 3.12Å |
| 33 | L | 94.6 | Very high | 92.8 | Very high | 173 Ų | 173 | 78.8 Ų | 78.8 | 91% | 0.906 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 29.4 | -178.7 | -59.5 | 172.2 | 0 | 0 | 0 | 114.4 | G29 Y30 M31 | G29-L33 PolarHBondContact O-N 2.71Å; Y30-L33 PolarHBondContact O-N 2.87Å; Y30-L33 VanDerWaalsContact O-N 3.12Å; M31-L33 VanDerWaalsContact C-N 3.28Å; M31-L33 PolarHBondContact O-N 3.2Å |
| 34 | R | 95.1 | Very high | 92.7 | Very high | 138 Ų | 138 | 75.9 Ų | 75.9 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -127.7 | 168.3 | 173.9 | 65.8 | -177.9 | 179.1 | 99.3 | -0.8 | 111.4 | G29 Y30 Q32 | G29-R34 CarbonylContact C-O 3.46Å; G29-R34 CarbonylContact O-C 3.4Å; G29-R34 WeakPolarHBondContact O-CG 3.3Å; G29-R34 PolarHBondContact O-N 3.47Å; Y30-R34 PolarHBondContact N-O 3.23Å; Q32-R34 HydrophobicContact CB-CG 4.22Å; Q32-R34 PolarHBondContact O-N 3.12Å |
| 35 | K | 91.6 | Very high | 92.7 | Very high | 158 Ų | 158 | 79.5 Ų | 79.5 | 69% | 0.687 | 39% | 0.389 | S | S | * | . | trans | -87.4 | 140.6 | 174.7 | -67.4 | -179 | -178.1 | 177.9 | 0 | 110.3 | ||||
| 36 | G | 93.6 | Very high | 92.7 | Very high | 10 Ų | 10 | 79 Ų | 79 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | trans | -72.7 | -173 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N38 | G36-N38 PolarHBondContact O-N 2.91Š| ||
| 37 | P | 91.6 | Very high | 92.7 | Very high | 28 Ų | 28 | 78.6 Ų | 78.6 | 18% | 0.182 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -58.4 | 119.6 | 178.5 | -20.9 | 31.5 | 0 | 0 | 0 | 111.4 | R25 G44 Q47 | R25-P37 HydrophobicContact CB-CG 3.87Å; R25-P37 HydrophobicContact CG-CG 4.49Å; P37-G44 WeakPolarHBondContact O-CA 3.49Å; P37-Q47 HydrophobicContact CB-CB 4.39Å; P37-Q47 HydrophobicContact CB-CG 4.06Å; P37-Q47 HydrophobicContact CG-CG 4.37Å |
| 38 | N | 93.6 | Very high | 92.7 | Very high | 51 Ų | 51 | 76.5 Ų | 76.5 | 27% | 0.273 | 38% | 0.382 | S | S | . | . | trans | -131 | -2.5 | -179 | -75.2 | -19.5 | 0 | 0 | 0 | 113.8 | G36 | G36-N38 PolarHBondContact O-N 2.91Š| ||
| 39 | V | 91.6 | Very high | 92.7 | Very high | 139 Ų | 139 | 81.1 Ų | 81.1 | 84% | 0.842 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -99.3 | -44 | -168.5 | -178.4 | 0 | 0 | 0 | 0 | 113.8 | G41 | V39-G41 PolarHBondContact O-N 3.17Š|
| 40 | V | 89 | Confident | 92.7 | Very high | 72 Ų | 72 | 83 Ų | 83 | 44% | 0.436 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -67.6 | -5.7 | -171.7 | 178.6 | 0 | 0 | 0 | 0 | 113.6 | A50 | V40-A50 HydrophobicContact CG1-CB 3.73Š|
| 41 | G | 91.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 77.6 Ų | 77.6 | 16% | 0.155 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -173.4 | -178.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V39 Y43 G44 | V39-G41 PolarHBondContact O-N 3.17Å; G41-Y43 PolarHBondContact O-N 3.42Å; G41-G44 PolarHBondContact O-N 3.27Å |
| 42 | P | 90.8 | Very high | 92.5 | Very high | 88 Ų | 88 | 75.5 Ų | 75.5 | 57% | 0.571 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -58.9 | 117 | 175.6 | 25.3 | -32.8 | 0 | 0 | 0 | 109.3 | G44 L45 | P42-G44 PolarHBondContact O-N 3.31Å; P42-L45 HydrophobicContact CG-CD1 4.44Å; P42-L45 WeakPolarHBondContact O-CG 3.39Å; P42-L45 PolarHBondContact O-N 3.09Å; P42-L45 VanDerWaalsContact O-N 3.13Å |
| 43 | Y | 91.2 | Very high | 92.4 | Very high | 181 Ų | 181 | 77 Ų | 77 | 71% | 0.71 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | 48.5 | 32 | -170.8 | -58.5 | -81.1 | 0 | 0 | 0 | 113.5 | K26 G41 L45 | K26-Y43 WeakPolarHBondContact CE-O 3.08Å; K26-Y43 PolarHBondContact NZ-O 3.36Å; G41-Y43 PolarHBondContact O-N 3.42Å; Y43-L45 VanDerWaalsContact C-N 3.31Å; Y43-L45 PolarHBondContact O-N 3.29Å |
| 44 | G | 92 | Very high | 92.3 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | 71.6 | 11.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | L22 P37 G41 P42 L46 Q47 | L22-G44 WeakPolarHBondContact CD1-O 3.38Å; P37-G44 WeakPolarHBondContact O-CA 3.49Å; G41-G44 PolarHBondContact O-N 3.27Å; P42-G44 PolarHBondContact O-N 3.31Å; G44-L46 PolarHBondContact O-N 3.09Å; G44-Q47 WeakPolarHBondContact O-CB 3.44Å; G44-Q47 PolarHBondContact O-N 2.82Å |
| 45 | L | 93.4 | Very high | 92.1 | Very high | 84 Ų | 84 | 71 Ų | 71 | 44% | 0.44 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -28.3 | -178 | -75 | 170.2 | 0 | 0 | 0 | 114.4 | F19 L22 P42 Y43 P48 | F19-L45 HydrophobicContact CE1-CD2 4.16Å; L22-L45 HydrophobicContact CD2-CD2 4.27Å; P42-L45 HydrophobicContact CG-CD1 4.44Å; P42-L45 WeakPolarHBondContact O-CG 3.39Å; P42-L45 PolarHBondContact O-N 3.09Å; P42-L45 VanDerWaalsContact O-N 3.13Å; Y43-L45 VanDerWaalsContact C-N 3.31Å; Y43-L45 PolarHBondContact O-N 3.29Å; L45-P48 WeakPolarHBondContact O-CD 3.3Å |
| 46 | L | 94.4 | Very high | 92.1 | Very high | 91 Ų | 91 | 69.4 Ų | 69.4 | 48% | 0.476 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2.9 | 178.8 | -64.3 | 173.9 | 0 | 0 | 0 | 114.1 | G44 F49 A50 | G44-L46 PolarHBondContact O-N 3.09Å; L46-F49 HydrophobicContact CD2-CD2 4.27Å; L46-F49 PolarHBondContact O-N 3.24Å; L46-A50 PolarHBondContact O-N 3.04Å |
| 47 | Q | 94.1 | Very high | 92 | Very high | 30 Ų | 30 | 73.8 Ų | 73.8 | 14% | 0.14 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.3 | -44.5 | -178.7 | -173.7 | 71.4 | 44.9 | 0 | 0 | 113.6 | L22 P37 G44 F49 A50 D51 | L22-Q47 HydrophobicContact CD1-CB 3.83Å; P37-Q47 HydrophobicContact CB-CB 4.39Å; P37-Q47 HydrophobicContact CB-CG 4.06Å; P37-Q47 HydrophobicContact CG-CG 4.37Å; G44-Q47 WeakPolarHBondContact O-CB 3.44Å; G44-Q47 PolarHBondContact O-N 2.82Å; Q47-F49 VanDerWaalsContact C-N 3.29Å; Q47-F49 PolarHBondContact O-N 3.22Å; Q47-A50 PolarHBondContact O-N 3.45Å; Q47-D51 PolarHBondContact NE2-OD1 2.84Å; Q47-D51 PolarHBondContact O-N 2.9Å |
| 48 | P | 93.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 78.1 Ų | 78.1 | 3% | 0.032 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.1 | -36.1 | -178.3 | -24.1 | 36.8 | 0 | 0 | 0 | 112.9 | A18 F19 L22 L45 D51 A52 | A18-P48 HydrophobicContact CB-CB 3.87Å; A18-P48 VanDerWaalsContact O-CB 3.26Å; A18-P48 WeakPolarHBondContact O-CB 3.45Å; A18-P48 WeakPolarHBondContact O-CG 3.47Å; F19-P48 HydrophobicContact CD1-CG 4.5Å; L22-P48 HydrophobicContact CB-CG 3.93Å; L45-P48 WeakPolarHBondContact O-CD 3.3Å; P48-D51 PolarHBondContact O-N 3.32Å; P48-A52 WeakPolarHBondContact O-CB 3.3Å; P48-A52 PolarHBondContact O-N 2.92Å |
| 49 | F | 92 | Very high | 91.8 | Very high | 118 Ų | 118 | 82.6 Ų | 82.6 | 52% | 0.518 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.6 | -39.6 | 177 | -62.6 | -72.1 | 0 | 0 | 0 | 111.7 | F19 L46 Q47 A52 M53 | F19-F49 HydrophobicContact CZ-CE2 4.17Å; L46-F49 HydrophobicContact CD2-CD2 4.27Å; L46-F49 PolarHBondContact O-N 3.24Å; Q47-F49 VanDerWaalsContact C-N 3.29Å; Q47-F49 PolarHBondContact O-N 3.22Å; F49-A52 PolarHBondContact O-N 3.26Å; F49-M53 WeakPolarHBondContact O-CB 3.32Å; F49-M53 PolarHBondContact O-N 3.26Å |
| 50 | A | 93 | Very high | 91.6 | Very high | 38 Ų | 38 | 79.4 Ų | 79.4 | 31% | 0.314 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V40 L46 Q47 M53 K54 | V40-A50 HydrophobicContact CG1-CB 3.73Å; L46-A50 PolarHBondContact O-N 3.04Å; Q47-A50 PolarHBondContact O-N 3.45Å; A50-M53 PolarHBondContact O-N 3.39Å; A50-K54 VanDerWaalsContact O-CB 3.27Å; A50-K54 WeakPolarHBondContact O-CB 3.21Å; A50-K54 PolarHBondContact O-N 3.21Å |
| 51 | D | 91.2 | Very high | 91.4 | Very high | 25 Ų | 25 | 81 Ų | 81 | 13% | 0.134 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.7 | -43 | 177.1 | -73.2 | 0 | 0 | 0 | 0 | 111.3 | R25 Q47 P48 K54 L55 | R25-D51 IonicContact CZ-OD2 2.9Å; R25-D51 IonicContact NH1-OD1 3Å; R25-D51 IonicContact NH1-OD2 3.65Å; R25-D51 PolarHBondContact NH1-OD2 3.11Å; R25-D51 IonicContact NH2-OD2 3.78Å; R25-D51 PolarHBondContact NH2-OD2 2.92Å; Q47-D51 PolarHBondContact NE2-OD1 2.84Å; Q47-D51 PolarHBondContact O-N 2.9Å; P48-D51 PolarHBondContact O-N 3.32Å; D51-K54 PolarHBondContact O-N 3.29Å; D51-L55 WeakPolarHBondContact O-CG 3.25Å; D51-L55 PolarHBondContact O-N 2.88Å |
| 52 | A | 90.9 | Very high | 91 | Very high | 39 Ų | 39 | 86.6 Ų | 86.6 | 32% | 0.322 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.6 | -50.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | P48 F49 K54 L55 F56 | P48-A52 WeakPolarHBondContact O-CB 3.3Å; P48-A52 PolarHBondContact O-N 2.92Å; F49-A52 PolarHBondContact O-N 3.26Å; A52-K54 VanDerWaalsContact C-N 3.3Å; A52-K54 PolarHBondContact O-N 3.42Å; A52-L55 PolarHBondContact O-N 2.78Å; A52-F56 HydrophobicContact CB-CE2 4.47Å; A52-F56 WeakPolarHBondContact O-CD2 3.28Å; A52-F56 PolarHBondContact O-N 3.47Å |
| 53 | M | 92.1 | Very high | 90.7 | Very high | 135 Ų | 135 | 83.5 Ų | 83.5 | 67% | 0.665 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.2 | -41.1 | 178.7 | -170.5 | 177 | -175.5 | 0 | 0 | 111.6 | F49 A50 F56 T57 | F49-M53 WeakPolarHBondContact O-CB 3.32Å; F49-M53 PolarHBondContact O-N 3.26Å; A50-M53 PolarHBondContact O-N 3.39Å; M53-F56 PolarHBondContact O-N 3.08Å; M53-T57 HydrophobicContact CG-CG2 4.23Å; M53-T57 WeakPolarHBondContact O-CB 3.5Å; M53-T57 WeakPolarHBondContact O-CG2 3.46Å; M53-T57 PolarHBondContact O-N 3.25Å; M53-T57 PolarHBondContact O-OG1 3.4Å |
| 54 | K | 92.8 | Very high | 90.2 | Very high | 138 Ų | 138 | 80.2 Ų | 80.2 | 60% | 0.6 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.8 | -46 | 174.9 | 178.4 | -175 | 175.8 | -175.6 | 0 | 112.2 | A50 D51 A52 T57 K58 | A50-K54 VanDerWaalsContact O-CB 3.27Å; A50-K54 WeakPolarHBondContact O-CB 3.21Å; A50-K54 PolarHBondContact O-N 3.21Å; D51-K54 PolarHBondContact O-N 3.29Å; A52-K54 VanDerWaalsContact C-N 3.3Å; A52-K54 PolarHBondContact O-N 3.42Å; K54-T57 PolarHBondContact O-OG1 3.27Å; K54-K58 WeakPolarHBondContact O-CB 3.12Å; K54-K58 PolarHBondContact O-N 3.4Å |
| 55 | L | 90.9 | Very high | 89.8 | Confident | 45 Ų | 45 | 84.4 Ų | 84.4 | 24% | 0.236 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -69.2 | -34.6 | -177.5 | -71.6 | 171.3 | 0 | 0 | 0 | 112.5 | D51 A52 A217 G218 F220 A221 | D51-L55 WeakPolarHBondContact O-CG 3.25Å; D51-L55 PolarHBondContact O-N 2.88Å; A52-L55 PolarHBondContact O-N 2.78Å; L55-A217 CarbonylContact O-C 3.31Å; L55-A217 VanDerWaalsContact O-C 3.31Å; L55-A217 WeakPolarHBondContact O-CA 3.42Å; L55-A217 WeakPolarHBondContact O-CB 3.48Å; L55-G218 PolarHBondContact O-N 2.87Å; L55-F220 HydrophobicContact CD2-CD1 4.13Å; L55-F220 HydrophobicContact CD2-CE1 4.47Å; L55-A221 HydrophobicContact CB-CB 4.09Å; L55-A221 HydrophobicContact CD1-CB 3.85Å |
| 56 | F | 90.9 | Very high | 89.5 | Confident | 126 Ų | 126 | 81.1 Ų | 81.1 | 55% | 0.553 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -82 | -25.4 | 179.2 | -70 | -61 | 0 | 0 | 0 | 114.3 | A52 M53 M225 | A52-F56 HydrophobicContact CB-CE2 4.47Å; A52-F56 WeakPolarHBondContact O-CD2 3.28Å; A52-F56 PolarHBondContact O-N 3.47Å; M53-F56 PolarHBondContact O-N 3.08Å; F56-M225 HydrophobicContact CZ-CE 4.12Å |
| 57 | T | 92.2 | Very high | 89.3 | Confident | 102 Ų | 102 | 79.4 Ų | 79.4 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -83.3 | -20.7 | 175.5 | 53 | 0 | 0 | 0 | 0 | 113.1 | M53 K54 | M53-T57 HydrophobicContact CG-CG2 4.23Å; M53-T57 WeakPolarHBondContact O-CB 3.5Å; M53-T57 WeakPolarHBondContact O-CG2 3.46Å; M53-T57 PolarHBondContact O-N 3.25Å; M53-T57 PolarHBondContact O-OG1 3.4Å; K54-T57 PolarHBondContact O-OG1 3.27Å |
| 58 | K | 92.9 | Very high | 88.9 | Confident | 118 Ų | 118 | 83.2 Ų | 83.2 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -70.3 | 142.3 | 179.1 | -169.7 | 175.8 | -177.6 | -173.7 | 0 | 110.7 | K54 A217 | K54-K58 WeakPolarHBondContact O-CB 3.12Å; K54-K58 PolarHBondContact O-N 3.4Å; K58-A217 HydrophobicContact CB-CB 3.77Å; K58-A217 HydrophobicContact CD-CB 4.44Å; K58-A217 HydrophobicContact CG-CB 4.11Å; K58-A217 VanDerWaalsContact O-CB 3.3Å; K58-A217 WeakPolarHBondContact O-CB 3.38Å |
| 59 | E | 89.3 | Confident | 88.8 | Confident | 146 Ų | 146 | 88 Ų | 88 | 68% | 0.682 | 48% | 0.477 | S | S | * | . | trans | -58.2 | 127.8 | 177.4 | -172.9 | 178.7 | 177.1 | 0 | 0 | 111.2 | L61 | E59-L61 PolarHBondContact O-N 3.2Š| ||
| 60 | P | 86.1 | Confident | 88.8 | Confident | 72 Ų | 72 | 84.1 Ų | 84.1 | 47% | 0.468 | 46% | 0.462 | S | S | . | . | trans | -74.4 | 105.9 | 173 | 29.6 | -32 | 0 | 0 | 0 | 109.6 | K62 | P60-K62 PolarHBondContact O-N 3.06Š| ||
| 61 | L | 84.4 | Confident | 88.6 | Confident | 106 Ų | 106 | 82.5 Ų | 82.5 | 56% | 0.555 | 45% | 0.447 | S | S | * | . | trans | -69.1 | 128.9 | 171.9 | -67.8 | 164.5 | 0 | 0 | 0 | 109.4 | E59 Y71 A216 | E59-L61 PolarHBondContact O-N 3.2Å; L61-Y71 PolarHBondContact O-OH 3.05Å; L61-A216 HydrophobicContact CB-CB 3.79Å; L61-A216 HydrophobicContact CD1-CB 3.88Å; L61-A216 HydrophobicContact CG-CB 4.07Å | ||
| 62 | K | 84.1 | Confident | 88.6 | Confident | 132 Ų | 132 | 85.2 Ų | 85.2 | 57% | 0.574 | 46% | 0.461 | S | S | * | . | trans | -118.3 | 117.4 | 172.1 | -69.5 | -178.4 | -178.4 | 177.5 | 0 | 108.6 | P60 | P60-K62 PolarHBondContact O-N 3.06Š| ||
| 63 | P | 83.7 | Confident | 88.7 | Confident | 22 Ų | 22 | 86.2 Ų | 86.2 | 14% | 0.143 | 46% | 0.463 | C | S | . | . | trans | -66.1 | 139.8 | 178.7 | -13.1 | 23.8 | 0 | 0 | 0 | 111.3 | T65 S66 Y71 E214 | P63-T65 PolarHBondContact O-N 3.44Å; P63-S66 WeakPolarHBondContact O-CB 3.46Å; P63-S66 PolarHBondContact O-N 2.96Å; P63-S66 PolarHBondContact O-OG 2.95Å; P63-Y71 HydrophobicContact CG-CE2 4.28Å; P63-E214 HydrophobicContact CG-CB 3.82Å; P63-E214 HydrophobicContact CG-CG 4.28Å | ||
| 64 | A | 81 | Confident | 88.8 | Confident | 112 Ų | 112 | 79.8 Ų | 79.8 | 93% | 0.926 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -26 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | S66 | A64-S66 VanDerWaalsContact C-N 3.35Š|
| 65 | T | 83.9 | Confident | 88.8 | Confident | 89 Ų | 89 | 73.3 Ų | 73.3 | 55% | 0.546 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -2.5 | -179.3 | 51 | 0 | 0 | 0 | 0 | 113.6 | P63 N124 | P63-T65 PolarHBondContact O-N 3.44Å; T65-N124 VanDerWaalsContact O-CB 3.26Å; T65-N124 WeakPolarHBondContact O-CB 3.16Å; T65-N124 PolarHBondContact O-ND2 2.91Å |
| 66 | S | 85.8 | Confident | 89 | Confident | 15 Ų | 15 | 74.3 Ų | 74.3 | 11% | 0.105 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -83.6 | 148.9 | -172.6 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | P63 A64 I68 A122 | P63-S66 WeakPolarHBondContact O-CB 3.46Å; P63-S66 PolarHBondContact O-N 2.96Å; P63-S66 PolarHBondContact O-OG 2.95Å; A64-S66 VanDerWaalsContact C-N 3.35Å; S66-I68 PolarHBondContact O-N 2.86Å; S66-A122 CarbonylContact C-O 3.38Å; S66-A122 WeakPolarHBondContact CA-O 3.15Å; S66-A122 WeakPolarHBondContact CB-O 3.41Å |
| 67 | T | 90.3 | Very high | 89.2 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 34% | 0.337 | 40% | 0.395 | S | S | . | . | trans | -82.4 | 104 | 168.6 | 54.7 | 0 | 0 | 0 | 0 | 109.6 | T69 L70 Y71 W121 A122 | T67-T69 VanDerWaalsContact C-N 3.29Å; T67-T69 PolarHBondContact O-N 3.47Å; T67-L70 PolarHBondContact O-N 3.34Å; T67-Y71 WeakPolarHBondContact O-CB 3.38Å; T67-Y71 PolarHBondContact O-N 3.47Å; T67-W121 HydrophobicContact CG2-CZ3 4.37Å; T67-A122 PolarHBondContact N-O 3.13Å; T67-A122 WeakPolarHBondContact OG1-CA 3.49Å; T67-A122 WeakPolarHBondContact OG1-CB 3.41Å | ||
| 68 | I | 86.8 | Confident | 89.3 | Confident | 110 Ų | 110 | 65.6 Ų | 65.6 | 56% | 0.564 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -57.1 | -39.9 | -167.9 | -62.7 | 164.2 | 0 | 0 | 0 | 112.9 | S66 I72 | S66-I68 PolarHBondContact O-N 2.86Å; I68-I72 HydrophobicContact CG2-CD1 3.78Å; I68-I72 WeakPolarHBondContact O-CG1 3.49Å; I68-I72 PolarHBondContact O-N 3.38Å; I68-I72 VanDerWaalsContact O-N 3.16Å |
| 69 | T | 90.9 | Very high | 89.5 | Confident | 105 Ų | 105 | 61.4 Ų | 61.4 | 64% | 0.644 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.8 | -54.7 | -177.5 | 50.8 | 0 | 0 | 0 | 0 | 111 | T67 I72 T73 | T67-T69 VanDerWaalsContact C-N 3.29Å; T67-T69 PolarHBondContact O-N 3.47Å; T69-I72 PolarHBondContact O-N 3.17Å; T69-T73 VanDerWaalsContact O-CG2 3.28Å; T69-T73 WeakPolarHBondContact O-CG2 3.21Å; T69-T73 PolarHBondContact O-N 2.93Å; T69-T73 PolarHBondContact O-OG1 3.43Å; T69-T73 VanDerWaalsContact O-OG1 3.12Å |
| 70 | L | 91.3 | Very high | 89.8 | Confident | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.188 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.4 | -35.3 | -179.9 | -68.4 | 174.8 | 0 | 0 | 0 | 112.5 | T67 I72 T73 A74 W118 W121 A122 | T67-L70 PolarHBondContact O-N 3.34Å; L70-I72 VanDerWaalsContact C-N 3.27Å; L70-I72 PolarHBondContact O-N 3.36Å; L70-T73 WeakPolarHBondContact CA-OG1 3.29Å; L70-T73 PolarHBondContact O-N 3.17Å; L70-T73 PolarHBondContact O-OG1 3.18Å; L70-A74 VanDerWaalsContact O-CB 3.23Å; L70-A74 WeakPolarHBondContact O-CB 3.19Å; L70-A74 PolarHBondContact O-N 2.73Å; L70-W118 HydrophobicContact CD2-CB 4.44Å; L70-W118 HydrophobicContact CD2-CD2 3.89Å; L70-W118 HydrophobicContact CD2-CE3 3.99Å; L70-W118 HydrophobicContact CD2-CG 4.09Å; L70-W121 HydrophobicContact CD1-CE3 3.43Å; L70-W121 VanDerWaalsContact CD1-CE3 3.43Å; L70-W121 HydrophobicContact CD1-CZ3 3.39Å; L70-A122 HydrophobicContact CB-CB 3.66Å |
| 71 | Y | 90 | Very high | 90.3 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.5 | -34.6 | 178.3 | -173.3 | -88.2 | 0 | 0 | 0 | 112.2 | L61 P63 T67 P75 E214 Y215 | L61-Y71 PolarHBondContact O-OH 3.05Å; P63-Y71 HydrophobicContact CG-CE2 4.28Å; T67-Y71 WeakPolarHBondContact O-CB 3.38Å; T67-Y71 PolarHBondContact O-N 3.47Å; Y71-P75 WeakPolarHBondContact O-CD 3.38Å; Y71-E214 HydrophobicContact CE2-CB 4.46Å; Y71-E214 PolarHBondContact OH-O 3.09Å; Y71-Y215 HydrophobicContact CD1-CE1 4.03Å; Y71-Y215 HydrophobicContact CD2-CD1 4.39Å; Y71-Y215 AromaticContact CD2-CE1 3.63Å; Y71-Y215 HydrophobicContact CD2-CE1 3.63Å; Y71-Y215 HydrophobicContact CD2-CE2 4.05Å; Y71-Y215 AromaticContact CD2-CZ 3.43Å; Y71-Y215 VanDerWaalsContact CD2-CZ 3.43Å; Y71-Y215 WeakPolarHBondContact CD2-OH 3.44Å; Y71-Y215 HydrophobicContact CE1-CD1 4.03Å; Y71-Y215 AromaticContact CE1-CE1 3.86Å; Y71-Y215 HydrophobicContact CE1-CE1 3.86Å; Y71-Y215 AromaticContact CE2-CD1 3.75Å; Y71-Y215 HydrophobicContact CE2-CD1 3.75Å; Y71-Y215 HydrophobicContact CE2-CD2 4.05Å; Y71-Y215 AromaticContact CE2-CE1 3.45Å; Y71-Y215 HydrophobicContact CE2-CE1 3.45Å; Y71-Y215 VanDerWaalsContact CE2-CE1 3.45Å; Y71-Y215 AromaticContact CE2-CE2 3.78Å; Y71-Y215 HydrophobicContact CE2-CE2 3.78Å; Y71-Y215 HydrophobicContact CE2-CG 4.06Å; Y71-Y215 AromaticContact CE2-CZ 3.47Å; Y71-Y215 VanDerWaalsContact CE2-CZ 3.47Å; Y71-Y215 AromaticContact CG-CE1 3.92Å; Y71-Y215 HydrophobicContact CG-CE1 3.92Å; Y71-Y215 AromaticContact CZ-CD1 3.54Å; Y71-Y215 AromaticContact CZ-CE1 3.57Å; Y71-Y215 WeakPolarHBondContact O-CE1 3.31Å; Y71-Y215 WeakPolarHBondContact OH-CA 3.2Å |
| 72 | I | 90.9 | Very high | 90.8 | Very high | 83 Ų | 83 | 49.8 Ų | 49.8 | 43% | 0.426 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -85.4 | -36.1 | 177.4 | -63.1 | 171 | 0 | 0 | 0 | 111.5 | I68 T69 L70 T76 | I68-I72 HydrophobicContact CG2-CD1 3.78Å; I68-I72 WeakPolarHBondContact O-CG1 3.49Å; I68-I72 PolarHBondContact O-N 3.38Å; I68-I72 VanDerWaalsContact O-N 3.16Å; T69-I72 PolarHBondContact O-N 3.17Å; L70-I72 VanDerWaalsContact C-N 3.27Å; L70-I72 PolarHBondContact O-N 3.36Å; I72-T76 PolarHBondContact O-OG1 3.32Å |
| 73 | T | 93.1 | Very high | 91.3 | Very high | 59 Ų | 59 | 45 Ų | 45 | 36% | 0.362 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -75.4 | -30.5 | -178 | 59.1 | 0 | 0 | 0 | 0 | 113 | T69 L70 T76 L77 | T69-T73 VanDerWaalsContact O-CG2 3.28Å; T69-T73 WeakPolarHBondContact O-CG2 3.21Å; T69-T73 PolarHBondContact O-N 2.93Å; T69-T73 PolarHBondContact O-OG1 3.43Å; T69-T73 VanDerWaalsContact O-OG1 3.12Å; L70-T73 WeakPolarHBondContact CA-OG1 3.29Å; L70-T73 PolarHBondContact O-N 3.17Å; L70-T73 PolarHBondContact O-OG1 3.18Å; T73-T76 WeakPolarHBondContact CA-OG1 3.34Å; T73-T76 PolarHBondContact O-N 3.05Å; T73-T76 PolarHBondContact O-OG1 3.26Å; T73-L77 VanDerWaalsContact O-CB 3.25Å; T73-L77 WeakPolarHBondContact O-CB 3.38Å; T73-L77 PolarHBondContact O-N 2.99Å |
| 74 | A | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -50.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L70 T76 L77 A78 S115 W118 F223 | L70-A74 VanDerWaalsContact O-CB 3.23Å; L70-A74 WeakPolarHBondContact O-CB 3.19Å; L70-A74 PolarHBondContact O-N 2.73Å; A74-T76 VanDerWaalsContact C-N 3.33Å; A74-T76 PolarHBondContact O-N 3.08Å; A74-L77 PolarHBondContact O-N 3.45Å; A74-A78 PolarHBondContact O-N 3.27Å; A74-S115 WeakPolarHBondContact CB-O 3.46Å; A74-W118 HydrophobicContact CB-CB 3.97Å; A74-F223 HydrophobicContact CB-CZ 4.18Å |
| 75 | P | 93.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -33.3 | 177.8 | -11.1 | 20.4 | 0 | 0 | 0 | 113.2 | Y71 A78 L79 Y215 P219 L222 F223 | Y71-P75 WeakPolarHBondContact O-CD 3.38Å; P75-A78 PolarHBondContact O-N 2.96Å; P75-L79 PolarHBondContact O-N 3.24Å; P75-Y215 HydrophobicContact CG-CD1 4.05Å; P75-Y215 HydrophobicContact CG-CE1 3.62Å; P75-P219 WeakPolarHBondContact CB-O 3.46Å; P75-P219 HydrophobicContact CG-CB 4.1Å; P75-L222 HydrophobicContact CB-CB 3.72Å; P75-L222 HydrophobicContact CB-CD1 3.88Å; P75-L222 HydrophobicContact CB-CG 4.45Å; P75-F223 HydrophobicContact CB-CD2 4.07Å; P75-F223 HydrophobicContact CB-CE2 3.76Å; P75-F223 HydrophobicContact CB-CZ 3.99Å; P75-F223 HydrophobicContact CG-CD2 4.24Å; P75-F223 HydrophobicContact CG-CE2 3.55Å; P75-F223 HydrophobicContact CG-CZ 3.9Å |
| 76 | T | 94.4 | Very high | 93.2 | Very high | 67 Ų | 67 | 39 Ų | 39 | 41% | 0.411 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.7 | -39.7 | 177 | 54.1 | 0 | 0 | 0 | 0 | 111.1 | I72 T73 A74 L79 T80 L222 | I72-T76 PolarHBondContact O-OG1 3.32Å; T73-T76 WeakPolarHBondContact CA-OG1 3.34Å; T73-T76 PolarHBondContact O-N 3.05Å; T73-T76 PolarHBondContact O-OG1 3.26Å; A74-T76 VanDerWaalsContact C-N 3.33Å; A74-T76 PolarHBondContact O-N 3.08Å; T76-L79 PolarHBondContact O-N 3.32Å; T76-T80 VanDerWaalsContact O-CG2 3.26Å; T76-T80 WeakPolarHBondContact O-CG2 3.4Å; T76-T80 PolarHBondContact O-N 3.23Å; T76-T80 PolarHBondContact O-OG1 3.37Å; T76-L222 HydrophobicContact CG2-CD1 4.17Å |
| 77 | L | 95.8 | Very high | 93.5 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 172.9 | -166.7 | 110.7 | 0 | 0 | 0 | 111.9 | T73 A74 L79 T80 I81 W118 | T73-L77 VanDerWaalsContact O-CB 3.25Å; T73-L77 WeakPolarHBondContact O-CB 3.38Å; T73-L77 PolarHBondContact O-N 2.99Å; A74-L77 PolarHBondContact O-N 3.45Å; L77-L79 PolarHBondContact O-N 3.16Å; L77-T80 WeakPolarHBondContact CA-OG1 3.47Å; L77-T80 PolarHBondContact O-N 2.9Å; L77-T80 PolarHBondContact O-OG1 3.42Å; L77-I81 HydrophobicContact CD2-CD1 3.48Å; L77-I81 VanDerWaalsContact CD2-CD1 3.48Å; L77-I81 HydrophobicContact CG-CD1 3.67Å; L77-I81 HydrophobicContact CG-CG1 4.35Å; L77-I81 WeakPolarHBondContact O-CB 3.36Å; L77-I81 WeakPolarHBondContact O-CD1 3.43Å; L77-I81 VanDerWaalsContact O-CG1 3.24Å; L77-I81 WeakPolarHBondContact O-CG1 3.19Å; L77-I81 PolarHBondContact O-N 3.4Å; L77-W118 HydrophobicContact CD1-CZ3 4.15Å |
| 78 | A | 94.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 37 Ų | 37 | 5% | 0.05 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.3 | -50.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A74 P75 A82 F223 A226 | A74-A78 PolarHBondContact O-N 3.27Å; P75-A78 PolarHBondContact O-N 2.96Å; A78-A82 WeakPolarHBondContact O-CB 3.26Å; A78-A82 PolarHBondContact O-N 3.37Å; A78-F223 HydrophobicContact CB-CD1 3.8Å; A78-F223 HydrophobicContact CB-CE1 3.79Å; A78-A226 HydrophobicContact CB-CB 3.86Å |
| 79 | L | 95.4 | Very high | 94.1 | Very high | 29 Ų | 29 | 32 Ų | 32 | 15% | 0.152 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.9 | -39.8 | -179.5 | -174.9 | 69 | 0 | 0 | 0 | 112.3 | P75 T76 L77 A82 L83 L222 M225 | P75-L79 PolarHBondContact O-N 3.24Å; T76-L79 PolarHBondContact O-N 3.32Å; L77-L79 PolarHBondContact O-N 3.16Å; L79-A82 PolarHBondContact O-N 3.03Å; L79-L83 HydrophobicContact CD1-CD1 4.45Å; L79-L83 HydrophobicContact CD1-CG 4.47Å; L79-L83 HydrophobicContact CG-CD1 4.14Å; L79-L83 WeakPolarHBondContact O-CG 3.4Å; L79-L83 PolarHBondContact O-N 3.35Å; L79-L222 HydrophobicContact CB-CD2 4.43Å; L79-L222 HydrophobicContact CD2-CD2 3.6Å; L79-M225 HydrophobicContact CD1-CB 4.03Å |
| 80 | T | 95.9 | Very high | 94.1 | Very high | 76 Ų | 76 | 27.1 Ų | 27.1 | 47% | 0.466 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 179.9 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | T76 L77 L83 L84 | T76-T80 VanDerWaalsContact O-CG2 3.26Å; T76-T80 WeakPolarHBondContact O-CG2 3.4Å; T76-T80 PolarHBondContact O-N 3.23Å; T76-T80 PolarHBondContact O-OG1 3.37Å; L77-T80 WeakPolarHBondContact CA-OG1 3.47Å; L77-T80 PolarHBondContact O-N 2.9Å; L77-T80 PolarHBondContact O-OG1 3.42Å; T80-L83 PolarHBondContact O-N 3.38Å; T80-L84 WeakPolarHBondContact O-CB 3.2Å; T80-L84 VanDerWaalsContact O-CG 3.23Å; T80-L84 WeakPolarHBondContact O-CG 3.38Å; T80-L84 PolarHBondContact O-N 3.42Å |
| 81 | I | 96 | Very high | 93.9 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 175.9 | -65.4 | 168.1 | 0 | 0 | 0 | 110.5 | L77 L83 L84 L85 T108 L111 A112 | L77-I81 HydrophobicContact CD2-CD1 3.48Å; L77-I81 VanDerWaalsContact CD2-CD1 3.48Å; L77-I81 HydrophobicContact CG-CD1 3.67Å; L77-I81 HydrophobicContact CG-CG1 4.35Å; L77-I81 WeakPolarHBondContact O-CB 3.36Å; L77-I81 WeakPolarHBondContact O-CD1 3.43Å; L77-I81 VanDerWaalsContact O-CG1 3.24Å; L77-I81 WeakPolarHBondContact O-CG1 3.19Å; L77-I81 PolarHBondContact O-N 3.4Å; I81-L83 VanDerWaalsContact C-N 3.26Å; I81-L83 PolarHBondContact O-N 3.16Å; I81-L84 PolarHBondContact O-N 3.04Å; I81-L84 VanDerWaalsContact O-N 3.13Å; I81-L85 HydrophobicContact CG2-CD1 4.09Å; I81-L85 WeakPolarHBondContact O-CG 3.36Å; I81-L85 PolarHBondContact O-N 3.33Å; I81-L85 VanDerWaalsContact O-N 3.13Å; I81-T108 VanDerWaalsContact CG2-O 3.25Å; I81-T108 WeakPolarHBondContact CG2-O 3.38Å; I81-L111 HydrophobicContact CD1-CB 4.06Å; I81-L111 HydrophobicContact CD1-CD2 3.77Å; I81-L111 HydrophobicContact CD1-CG 3.68Å; I81-L111 HydrophobicContact CG1-CD2 4.06Å; I81-L111 HydrophobicContact CG1-CG 4.47Å; I81-A112 HydrophobicContact CG2-CB 3.91Å |
| 82 | A | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.4 | -35.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A78 L79 W86 A226 T229 N230 | A78-A82 WeakPolarHBondContact O-CB 3.26Å; A78-A82 PolarHBondContact O-N 3.37Å; L79-A82 PolarHBondContact O-N 3.03Å; A82-W86 PolarHBondContact O-NE1 3.2Å; A82-A226 HydrophobicContact CB-CB 4.08Å; A82-T229 WeakPolarHBondContact CB-OG1 3.21Å; A82-N230 WeakPolarHBondContact CA-OD1 3.39Å; A82-N230 VanDerWaalsContact CB-OD1 3.29Å; A82-N230 WeakPolarHBondContact CB-OD1 3.47Å |
| 83 | L | 95.4 | Very high | 93.8 | Very high | 31 Ų | 31 | 30 Ų | 30 | 16% | 0.162 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -76.9 | -35.4 | 174.5 | -68.6 | 174 | 0 | 0 | 0 | 113 | I10 I13 L14 L79 T80 I81 L85 W86 | I10-L83 HydrophobicContact CG2-CD1 4.13Å; I10-L83 HydrophobicContact CG2-CD2 4.13Å; I13-L83 HydrophobicContact CG2-CD2 4.41Å; L14-L83 HydrophobicContact CD2-CD2 4.44Å; L79-L83 HydrophobicContact CD1-CD1 4.45Å; L79-L83 HydrophobicContact CD1-CG 4.47Å; L79-L83 HydrophobicContact CG-CD1 4.14Å; L79-L83 WeakPolarHBondContact O-CG 3.4Å; L79-L83 PolarHBondContact O-N 3.35Å; T80-L83 PolarHBondContact O-N 3.38Å; I81-L83 VanDerWaalsContact C-N 3.26Å; I81-L83 PolarHBondContact O-N 3.16Å; L83-L85 VanDerWaalsContact C-N 3.28Å; L83-L85 PolarHBondContact O-N 2.97Å; L83-W86 PolarHBondContact O-N 3.04Å |
| 84 | L | 95.5 | Very high | 93.8 | Very high | 85 Ų | 85 | 28.2 Ų | 28.2 | 45% | 0.445 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.9 | -34.7 | 178.1 | -78.6 | 168.3 | 0 | 0 | 0 | 112.6 | T80 I81 W86 T87 | T80-L84 WeakPolarHBondContact O-CB 3.2Å; T80-L84 VanDerWaalsContact O-CG 3.23Å; T80-L84 WeakPolarHBondContact O-CG 3.38Å; T80-L84 PolarHBondContact O-N 3.42Å; I81-L84 PolarHBondContact O-N 3.04Å; I81-L84 VanDerWaalsContact O-N 3.13Å; L84-W86 PolarHBondContact O-N 3.12Å; L84-W86 VanDerWaalsContact O-N 3.1Å; L84-T87 WeakPolarHBondContact O-CB 3.18Å; L84-T87 WeakPolarHBondContact O-CG2 3.11Å; L84-T87 PolarHBondContact O-N 3.32Å; L84-T87 VanDerWaalsContact O-N 3.08Å; L84-T87 PolarHBondContact O-OG1 3.41Å |
| 85 | L | 95.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20 | 178.1 | -77.6 | 158.9 | 0 | 0 | 0 | 113.7 | I81 L83 P88 I105 T108 M233 | I81-L85 HydrophobicContact CG2-CD1 4.09Å; I81-L85 WeakPolarHBondContact O-CG 3.36Å; I81-L85 PolarHBondContact O-N 3.33Å; I81-L85 VanDerWaalsContact O-N 3.13Å; L83-L85 VanDerWaalsContact C-N 3.28Å; L83-L85 PolarHBondContact O-N 2.97Å; L85-P88 WeakPolarHBondContact O-CD 3.33Å; L85-I105 HydrophobicContact CD2-CB 4.27Å; L85-I105 HydrophobicContact CD2-CG1 4.34Å; L85-I105 HydrophobicContact CD2-CG2 3.82Å; L85-T108 WeakPolarHBondContact CD2-OG1 3.16Å; L85-M233 HydrophobicContact CB-CE 3.78Å; L85-M233 HydrophobicContact CB-CG 3.86Å; L85-M233 HydrophobicContact CB-SD 3.92Å; L85-M233 HydrophobicContact CD1-CE 3.49Å; L85-M233 VanDerWaalsContact CD1-CE 3.49Å; L85-M233 HydrophobicContact CD2-CE 4.06Å; L85-M233 HydrophobicContact CD2-SD 4.42Å; L85-M233 HydrophobicContact CG-CE 3.97Å |
| 86 | W | 95.7 | Very high | 93.8 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 5% | 0.045 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -18.5 | 178 | -68.3 | 83.1 | 0 | 0 | 0 | 114.5 | L9 I13 A82 L83 L84 L89 M91 I232 M233 T236 | L9-W86 HydrophobicContact CD2-CB 4.27Å; I13-W86 HydrophobicContact CD1-CB 3.9Å; I13-W86 HydrophobicContact CD1-CD2 3.47Å; I13-W86 VanDerWaalsContact CD1-CD2 3.47Å; I13-W86 HydrophobicContact CD1-CE3 3.69Å; I13-W86 HydrophobicContact CD1-CG 3.57Å; I13-W86 HydrophobicContact CD1-CZ3 4.36Å; I13-W86 HydrophobicContact CG1-CD2 4.1Å; I13-W86 HydrophobicContact CG1-CE3 4.09Å; I13-W86 HydrophobicContact CG1-CH2 4.42Å; I13-W86 HydrophobicContact CG1-CZ2 4.47Å; I13-W86 HydrophobicContact CG1-CZ3 4.27Å; I13-W86 HydrophobicContact CG2-CD2 4.41Å; I13-W86 HydrophobicContact CG2-CZ2 3.91Å; A82-W86 PolarHBondContact O-NE1 3.2Å; L83-W86 PolarHBondContact O-N 3.04Å; L84-W86 PolarHBondContact O-N 3.12Å; L84-W86 VanDerWaalsContact O-N 3.1Å; W86-L89 HydrophobicContact CD2-CD1 4.2Å; W86-L89 HydrophobicContact CE3-CD1 3.82Å; W86-L89 HydrophobicContact CZ3-CD1 4.38Å; W86-L89 PolarHBondContact O-N 3Å; W86-M91 HydrophobicContact CE3-CE 3.73Å; W86-M91 HydrophobicContact CZ3-CE 3.53Å; W86-I232 HydrophobicContact CH2-CB 3.93Å; W86-I232 HydrophobicContact CH2-CG2 3.55Å; W86-I232 HydrophobicContact CZ2-CB 3.92Å; W86-I232 HydrophobicContact CZ2-CG2 4.09Å; W86-M233 HydrophobicContact CD2-CB 4.43Å; W86-M233 HydrophobicContact CD2-CG 4.39Å; W86-M233 HydrophobicContact CZ2-CB 3.77Å; W86-T236 HydrophobicContact CH2-CG2 3.97Å; W86-T236 HydrophobicContact CZ3-CG2 3.91Å |
| 87 | T | 93.6 | Very high | 93.8 | Very high | 24 Ų | 24 | 35.7 Ų | 35.7 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -38.3 | -172.1 | 60.9 | 0 | 0 | 0 | 0 | 115 | L84 L95 V96 | L84-T87 WeakPolarHBondContact O-CB 3.18Å; L84-T87 WeakPolarHBondContact O-CG2 3.11Å; L84-T87 PolarHBondContact O-N 3.32Å; L84-T87 VanDerWaalsContact O-N 3.08Å; L84-T87 PolarHBondContact O-OG1 3.41Å; T87-L95 HydrophobicContact CG2-CD2 4.17Å; T87-L95 PolarHBondContact O-N 2.88Å; T87-V96 PolarHBondContact O-N 3.05Å; T87-V96 VanDerWaalsContact O-N 3.11Å |
| 88 | P | 94.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -6 | 178.8 | 38.6 | -39.7 | 0 | 0 | 0 | 113.8 | L85 P90 P94 L98 F104 I105 L162 | L85-P88 WeakPolarHBondContact O-CD 3.33Å; P88-P90 WeakPolarHBondContact O-CD 3.28Å; P88-P94 WeakPolarHBondContact O-CB 3.42Å; P88-L98 HydrophobicContact CB-CD1 4.34Å; P88-F104 HydrophobicContact CG-CD1 3.91Å; P88-F104 HydrophobicContact CG-CE1 4.25Å; P88-I105 HydrophobicContact CG-CD1 3.68Å; P88-I105 HydrophobicContact CG-CG1 3.72Å; P88-L162 HydrophobicContact CB-CD1 4.31Å; P88-L162 HydrophobicContact CG-CD1 4.44Å; P88-L162 WeakPolarHBondContact O-CD1 3.48Å |
| 89 | L | 94.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | trans | -69.1 | 125.6 | -174.6 | -72.8 | 177 | 0 | 0 | 0 | 111 | W86 M91 P94 I105 L162 M233 T236 L237 | W86-L89 HydrophobicContact CD2-CD1 4.2Å; W86-L89 HydrophobicContact CE3-CD1 3.82Å; W86-L89 HydrophobicContact CZ3-CD1 4.38Å; W86-L89 PolarHBondContact O-N 3Å; L89-M91 PolarHBondContact O-N 3.13Å; L89-P94 WeakPolarHBondContact O-CA 3.26Å; L89-I105 HydrophobicContact CD2-CD1 4.41Å; L89-L162 HydrophobicContact CD2-CD1 4.11Å; L89-M233 HydrophobicContact CD1-CG 4.07Å; L89-T236 WeakPolarHBondContact CD1-OG1 3.32Å; L89-L237 HydrophobicContact CD2-CB 4.27Å; L89-L237 HydrophobicContact CD2-CD1 4.4Å | ||
| 90 | P | 91.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | trans | -81.5 | 117.4 | -177.3 | 33 | -36.6 | 0 | 0 | 0 | 111.3 | P88 P92 L162 I166 T240 | P88-P90 WeakPolarHBondContact O-CD 3.28Å; P90-P92 WeakPolarHBondContact CB-O 3.31Å; P90-L162 HydrophobicContact CG-CB 3.88Å; P90-I166 HydrophobicContact CB-CD1 3.82Å; P90-I166 HydrophobicContact CG-CD1 4.09Å; P90-T240 HydrophobicContact CG-CG2 4.04Å | ||
| 91 | M | 87.8 | Confident | 93.4 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 30% | 0.3 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -131.4 | 86.4 | 171.5 | -63.8 | -168.7 | -149.3 | 0 | 0 | 112.5 | W86 L89 N93 F259 | W86-M91 HydrophobicContact CE3-CE 3.73Å; W86-M91 HydrophobicContact CZ3-CE 3.53Å; L89-M91 PolarHBondContact O-N 3.13Å; M91-N93 PolarHBondContact N-O 2.94Å; M91-N93 PolarHBondContact O-N 2.96Å; M91-F259 HydrophobicContact CE-CE1 4.46Å; M91-F259 HydrophobicContact CG-CD1 4.21Å; M91-F259 HydrophobicContact CG-CE1 3.92Å; M91-F259 HydrophobicContact SD-CE1 4.36Å |
| 92 | P | 86.8 | Confident | 93.3 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | S | Bend | -52 | -20.7 | -52.8 | 26.6 | -35.4 | 0 | 0 | 0 | 113.9 | P90 Y247 P252 Y255 | P90-P92 WeakPolarHBondContact CB-O 3.31Å; P92-Y247 HydrophobicContact CB-CD2 3.56Å; P92-Y247 HydrophobicContact CB-CE2 3.61Å; P92-Y247 HydrophobicContact CG-CD2 4.02Å; P92-Y247 HydrophobicContact CG-CE2 3.65Å; P92-P252 HydrophobicContact CG-CB 3.89Å; P92-Y255 HydrophobicContact CB-CD1 3.53Å; P92-Y255 HydrophobicContact CB-CD2 4.41Å; P92-Y255 HydrophobicContact CB-CE1 3.91Å; P92-Y255 HydrophobicContact CB-CG 3.84Å; P92-Y255 HydrophobicContact CG-CD1 4.14Å; P92-Y255 HydrophobicContact CG-CG 4.44Å | |
| 93 | N | 91 | Very high | 93.2 | Very high | 113 Ų | 113 | 45.8 Ų | 45.8 | 60% | 0.604 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -98.8 | 130.1 | 175.8 | -65.4 | -38.2 | 0 | 0 | 0 | 109.5 | M91 | M91-N93 PolarHBondContact N-O 2.94Å; M91-N93 PolarHBondContact O-N 2.96Å |
| 94 | P | 93.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 14% | 0.143 | 25% | 0.252 | C | S | . | . | trans | -73.2 | 157.9 | 175 | 31.4 | -35.4 | 0 | 0 | 0 | 111.3 | P88 L89 V96 N97 | P88-P94 WeakPolarHBondContact O-CB 3.42Å; L89-P94 WeakPolarHBondContact O-CA 3.26Å; P94-V96 VanDerWaalsContact C-N 3.32Å; P94-N97 HydrophobicContact CG-CB 3.89Å | ||
| 95 | L | 93.4 | Very high | 93.1 | Very high | 64 Ų | 64 | 43.8 Ų | 43.8 | 34% | 0.335 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -63.4 | -43.6 | 172.7 | -177.2 | 76.8 | 0 | 0 | 0 | 110.4 | N5 L9 T87 | N5-L95 HydrophobicContact CB-CD1 3.69Å; L9-L95 HydrophobicContact CD2-CB 4.23Å; L9-L95 HydrophobicContact CD2-CD2 3.88Å; T87-L95 HydrophobicContact CG2-CD2 4.17Å; T87-L95 PolarHBondContact O-N 2.88Å |
| 96 | V | 93.2 | Very high | 93 | Very high | 64 Ų | 64 | 45.9 Ų | 45.9 | 39% | 0.388 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -125.7 | 109.9 | 175.4 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | T87 P94 L98 | T87-V96 PolarHBondContact O-N 3.05Å; T87-V96 VanDerWaalsContact O-N 3.11Å; P94-V96 VanDerWaalsContact C-N 3.32Å; V96-L98 HydrophobicContact CG1-CD2 3.63Å; V96-L98 HydrophobicContact CG1-CG 3.9Å; V96-L98 PolarHBondContact O-N 2.92Å |
| 97 | N | 93.1 | Very high | 92.9 | Very high | 98 Ų | 98 | 48.1 Ų | 48.1 | 52% | 0.524 | 27% | 0.265 | S | S | . | . | trans | -76.6 | 108 | 174.7 | -169.4 | 2.3 | 0 | 0 | 0 | 109.5 | P94 N161 | P94-N97 HydrophobicContact CG-CB 3.89Å; N97-N161 PolarHBondContact OD1-ND2 3.1Å; N97-N161 PolarHBondContact OD1-OD1 3.01Å | ||
| 98 | L | 93.6 | Very high | 93 | Very high | 55 Ų | 55 | 47.8 Ų | 47.8 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | trans | -109.2 | 129.9 | 179.9 | -63.4 | 177.1 | 0 | 0 | 0 | 109.8 | P88 V96 L100 G101 F104 | P88-L98 HydrophobicContact CB-CD1 4.34Å; V96-L98 HydrophobicContact CG1-CD2 3.63Å; V96-L98 HydrophobicContact CG1-CG 3.9Å; V96-L98 PolarHBondContact O-N 2.92Å; L98-L100 PolarHBondContact O-N 3.4Å; L98-G101 PolarHBondContact O-N 3.43Å; L98-G101 VanDerWaalsContact O-N 3.16Å; L98-F104 HydrophobicContact CD1-CB 4.06Å; L98-F104 HydrophobicContact CD1-CD1 4.23Å; L98-F104 HydrophobicContact CD1-CD2 4.23Å; L98-F104 HydrophobicContact CD1-CG 3.9Å | ||
| 99 | N | 92.9 | Very high | 92.9 | Very high | 129 Ų | 129 | 47.9 Ų | 47.9 | 69% | 0.69 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -31.8 | 173.4 | -73.3 | -1.2 | 0 | 0 | 0 | 112.5 | F160 N161 | N99-F160 CarbonylContact O-C 3.38Å; N99-N161 PolarHBondContact O-N 3.43Å |
| 100 | L | 94 | Very high | 92.7 | Very high | 99 Ų | 99 | 49.5 Ų | 49.5 | 52% | 0.518 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 40.6 | 178.3 | -57.1 | -180 | 0 | 0 | 0 | 111.3 | L98 L102 L103 F104 F160 | L98-L100 PolarHBondContact O-N 3.4Å; L100-L102 VanDerWaalsContact C-N 3.3Å; L100-L102 PolarHBondContact O-N 3.4Å; L100-L103 HydrophobicContact CB-CB 4.35Å; L100-L103 HydrophobicContact CB-CD1 4.25Å; L100-L103 HydrophobicContact CD1-CD1 4.3Å; L100-L103 HydrophobicContact CD2-CD1 4.1Å; L100-L103 HydrophobicContact CG-CD1 4.44Å; L100-L103 PolarHBondContact O-N 3.43Å; L100-F104 PolarHBondContact O-N 3.49Å; L100-F160 HydrophobicContact CD2-CB 3.94Å; L100-F160 HydrophobicContact CD2-CD2 4Å; L100-F160 HydrophobicContact CD2-CG 4.21Å |
| 101 | G | 93.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.9 | -39.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L98 F104 I105 F160 | L98-G101 PolarHBondContact O-N 3.43Å; L98-G101 VanDerWaalsContact O-N 3.16Å; G101-F104 WeakPolarHBondContact O-CB 3.18Å; G101-F104 PolarHBondContact O-N 3.13Å; G101-I105 PolarHBondContact O-N 2.94Å; G101-I105 VanDerWaalsContact O-N 3.14Å; G101-F160 PolarHBondContact N-O 3.45Å |
| 102 | L | 93.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.4 | -39.3 | -179.7 | -162.6 | 148.3 | 0 | 0 | 0 | 112.7 | L100 F104 I105 L106 L150 L154 F160 L162 L165 I241 | L100-L102 VanDerWaalsContact C-N 3.3Å; L100-L102 PolarHBondContact O-N 3.4Å; L102-F104 VanDerWaalsContact C-N 3.29Å; L102-F104 PolarHBondContact O-N 2.97Å; L102-I105 PolarHBondContact O-N 2.86Å; L102-L106 PolarHBondContact O-N 3.49Å; L102-L106 VanDerWaalsContact O-N 3.07Å; L102-L150 HydrophobicContact CD1-CD2 3.74Å; L102-L150 HydrophobicContact CD2-CB 3.9Å; L102-L150 HydrophobicContact CD2-CD1 3.87Å; L102-L150 HydrophobicContact CD2-CD2 3.84Å; L102-L150 HydrophobicContact CD2-CG 4.05Å; L102-L150 HydrophobicContact CG-CD2 4.17Å; L102-L154 HydrophobicContact CD1-CD1 4.05Å; L102-L154 HydrophobicContact CD1-CD2 3.86Å; L102-L154 HydrophobicContact CD1-CG 4.14Å; L102-L154 HydrophobicContact CD2-CD1 3.95Å; L102-L154 HydrophobicContact CG-CD1 4.41Å; L102-F160 PolarHBondContact N-O 2.61Å; L102-F160 VanDerWaalsContact N-O 3.13Å; L102-L162 HydrophobicContact CB-CD2 4.33Å; L102-L162 HydrophobicContact CD1-CD2 4.14Å; L102-L165 HydrophobicContact CD1-CD1 4.47Å; L102-I241 HydrophobicContact CD1-CD1 4.31Å |
| 103 | L | 93.9 | Very high | 93.2 | Very high | 76 Ų | 76 | 51.5 Ų | 51.5 | 40% | 0.398 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.8 | -37 | 173 | -73 | 170.8 | 0 | 0 | 0 | 111.6 | L100 I105 L106 A107 F160 | L100-L103 HydrophobicContact CB-CB 4.35Å; L100-L103 HydrophobicContact CB-CD1 4.25Å; L100-L103 HydrophobicContact CD1-CD1 4.3Å; L100-L103 HydrophobicContact CD2-CD1 4.1Å; L100-L103 HydrophobicContact CG-CD1 4.44Å; L100-L103 PolarHBondContact O-N 3.43Å; L103-I105 VanDerWaalsContact C-N 3.32Å; L103-I105 PolarHBondContact O-N 3.47Å; L103-L106 PolarHBondContact O-N 3.08Å; L103-A107 WeakPolarHBondContact O-CB 3.29Å; L103-A107 PolarHBondContact O-N 2.71Å; L103-F160 HydrophobicContact CD1-CD1 4.09Å; L103-F160 HydrophobicContact CD1-CE1 4.23Å; L103-F160 HydrophobicContact CD1-CG 4.25Å; L103-F160 HydrophobicContact CD2-CD1 4.44Å; L103-F160 HydrophobicContact CD2-CE1 4.22Å; L103-F160 HydrophobicContact CG-CD1 3.81Å; L103-F160 HydrophobicContact CG-CE1 4.04Å; L103-F160 HydrophobicContact CG-CG 4.37Å |
| 104 | F | 95.6 | Very high | 93.3 | Very high | 65 Ų | 65 | 51.8 Ų | 51.8 | 29% | 0.285 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 173.6 | 172.2 | -91.3 | 0 | 0 | 0 | 111.5 | P88 L98 L100 G101 L102 A107 T108 | P88-F104 HydrophobicContact CG-CD1 3.91Å; P88-F104 HydrophobicContact CG-CE1 4.25Å; L98-F104 HydrophobicContact CD1-CB 4.06Å; L98-F104 HydrophobicContact CD1-CD1 4.23Å; L98-F104 HydrophobicContact CD1-CD2 4.23Å; L98-F104 HydrophobicContact CD1-CG 3.9Å; L100-F104 PolarHBondContact O-N 3.49Å; G101-F104 WeakPolarHBondContact O-CB 3.18Å; G101-F104 PolarHBondContact O-N 3.13Å; L102-F104 VanDerWaalsContact C-N 3.29Å; L102-F104 PolarHBondContact O-N 2.97Å; F104-A107 PolarHBondContact O-N 3.1Å; F104-T108 HydrophobicContact CD1-CG2 4.42Å; F104-T108 HydrophobicContact CD2-CG2 4.23Å; F104-T108 HydrophobicContact CE1-CG2 4.01Å; F104-T108 HydrophobicContact CE2-CG2 3.8Å; F104-T108 HydrophobicContact CZ-CG2 3.69Å; F104-T108 WeakPolarHBondContact O-CB 3.43Å; F104-T108 WeakPolarHBondContact O-CG2 3.31Å; F104-T108 PolarHBondContact O-N 3.48Å; F104-T108 PolarHBondContact O-OG1 3.09Å |
| 105 | I | 94.9 | Very high | 93.3 | Very high | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.046 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 176.5 | -73 | 152.2 | 0 | 0 | 0 | 111.5 | L85 P88 L89 G101 L102 L103 A107 T108 S109 L162 L237 | L85-I105 HydrophobicContact CD2-CB 4.27Å; L85-I105 HydrophobicContact CD2-CG1 4.34Å; L85-I105 HydrophobicContact CD2-CG2 3.82Å; P88-I105 HydrophobicContact CG-CD1 3.68Å; P88-I105 HydrophobicContact CG-CG1 3.72Å; L89-I105 HydrophobicContact CD2-CD1 4.41Å; G101-I105 PolarHBondContact O-N 2.94Å; G101-I105 VanDerWaalsContact O-N 3.14Å; L102-I105 PolarHBondContact O-N 2.86Å; L103-I105 VanDerWaalsContact C-N 3.32Å; L103-I105 PolarHBondContact O-N 3.47Å; I105-A107 PolarHBondContact O-N 2.91Å; I105-T108 WeakPolarHBondContact CA-OG1 3.17Å; I105-T108 PolarHBondContact O-N 2.92Å; I105-T108 PolarHBondContact O-OG1 3.36Å; I105-T108 VanDerWaalsContact O-OG1 3.12Å; I105-S109 WeakPolarHBondContact O-CB 3.27Å; I105-S109 PolarHBondContact O-N 2.87Å; I105-S109 PolarHBondContact O-OG 3.36Å; I105-L162 HydrophobicContact CD1-CD1 3.52Å; I105-L237 HydrophobicContact CB-CD1 4.31Å; I105-L237 HydrophobicContact CD1-CD1 3.63Å; I105-L237 HydrophobicContact CG1-CD1 4.32Å; I105-L237 HydrophobicContact CG2-CD1 3.56Å |
| 106 | L | 93.4 | Very high | 93.2 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 179.2 | -165.9 | 141.1 | 0 | 0 | 0 | 112.5 | L102 L103 S109 S110 L146 A147 L150 | L102-L106 PolarHBondContact O-N 3.49Å; L102-L106 VanDerWaalsContact O-N 3.07Å; L103-L106 PolarHBondContact O-N 3.08Å; L106-S109 PolarHBondContact O-OG 3.27Å; L106-S110 PolarHBondContact O-N 3.4Å; L106-S110 PolarHBondContact O-OG 2.62Å; L106-S110 VanDerWaalsContact O-OG 3.11Å; L106-L146 HydrophobicContact CD1-CD2 4.34Å; L106-A147 HydrophobicContact CD1-CB 3.77Å; L106-L150 HydrophobicContact CD1-CD1 3.81Å |
| 107 | A | 93.8 | Very high | 93.2 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 49% | 0.488 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.9 | -36.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L103 F104 I105 S110 L111 | L103-A107 WeakPolarHBondContact O-CB 3.29Å; L103-A107 PolarHBondContact O-N 2.71Å; F104-A107 PolarHBondContact O-N 3.1Å; I105-A107 PolarHBondContact O-N 2.91Å; A107-S110 PolarHBondContact O-OG 3.24Å; A107-L111 PolarHBondContact O-N 3.33Å |
| 108 | T | 94.3 | Very high | 93.2 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 10% | 0.104 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -79 | -31.4 | 178.5 | 48.4 | 0 | 0 | 0 | 0 | 112.6 | I81 L85 F104 I105 L111 A112 | I81-T108 VanDerWaalsContact CG2-O 3.25Å; I81-T108 WeakPolarHBondContact CG2-O 3.38Å; L85-T108 WeakPolarHBondContact CD2-OG1 3.16Å; F104-T108 HydrophobicContact CD1-CG2 4.42Å; F104-T108 HydrophobicContact CD2-CG2 4.23Å; F104-T108 HydrophobicContact CE1-CG2 4.01Å; F104-T108 HydrophobicContact CE2-CG2 3.8Å; F104-T108 HydrophobicContact CZ-CG2 3.69Å; F104-T108 WeakPolarHBondContact O-CB 3.43Å; F104-T108 WeakPolarHBondContact O-CG2 3.31Å; F104-T108 PolarHBondContact O-N 3.48Å; F104-T108 PolarHBondContact O-OG1 3.09Å; I105-T108 WeakPolarHBondContact CA-OG1 3.17Å; I105-T108 PolarHBondContact O-N 2.92Å; I105-T108 PolarHBondContact O-OG1 3.36Å; I105-T108 VanDerWaalsContact O-OG1 3.12Å; T108-L111 WeakPolarHBondContact O-CB 3.46Å; T108-L111 PolarHBondContact O-N 3Å; T108-A112 PolarHBondContact O-N 2.9Å |
| 109 | S | 91.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | 174.1 | 74.6 | 0 | 0 | 0 | 0 | 112 | I105 L106 L111 A112 E192 | I105-S109 WeakPolarHBondContact O-CB 3.27Å; I105-S109 PolarHBondContact O-N 2.87Å; I105-S109 PolarHBondContact O-OG 3.36Å; L106-S109 PolarHBondContact O-OG 3.27Å; S109-L111 PolarHBondContact O-N 3.15Å; S109-A112 WeakPolarHBondContact O-CB 3.36Å; S109-A112 PolarHBondContact O-N 3.49Å; S109-E192 VanDerWaalsContact CB-OE1 3.24Å; S109-E192 WeakPolarHBondContact CB-OE1 3.4Å; S109-E192 PolarHBondContact OG-OE1 3Å |
| 110 | S | 91.3 | Very high | 93 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63 | -27.5 | 172 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | L106 A107 A112 V113 E143 | L106-S110 PolarHBondContact O-N 3.4Å; L106-S110 PolarHBondContact O-OG 2.62Å; L106-S110 VanDerWaalsContact O-OG 3.11Å; A107-S110 PolarHBondContact O-OG 3.24Å; S110-A112 VanDerWaalsContact C-N 3.33Å; S110-V113 WeakPolarHBondContact O-CG2 3.24Å; S110-E143 WeakPolarHBondContact CA-OE1 3.3Å |
| 111 | L | 92.6 | Very high | 92.9 | Very high | 79 Ų | 79 | 41.7 Ų | 41.7 | 41% | 0.414 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.9 | -29.3 | 172.2 | -167.2 | 71.4 | 0 | 0 | 0 | 112.4 | I81 A107 T108 S109 V113 Y114 | I81-L111 HydrophobicContact CD1-CB 4.06Å; I81-L111 HydrophobicContact CD1-CD2 3.77Å; I81-L111 HydrophobicContact CD1-CG 3.68Å; I81-L111 HydrophobicContact CG1-CD2 4.06Å; I81-L111 HydrophobicContact CG1-CG 4.47Å; A107-L111 PolarHBondContact O-N 3.33Å; T108-L111 WeakPolarHBondContact O-CB 3.46Å; T108-L111 PolarHBondContact O-N 3Å; S109-L111 PolarHBondContact O-N 3.15Å; L111-V113 PolarHBondContact O-N 3.03Å; L111-Y114 HydrophobicContact CD1-CD2 3.86Å; L111-Y114 HydrophobicContact CD1-CE2 4.25Å; L111-Y114 PolarHBondContact O-N 3.1Å; L111-Y114 VanDerWaalsContact O-N 3.12Å |
| 112 | A | 91.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.4 | -29.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | I81 T108 S109 S110 Y114 S115 | I81-A112 HydrophobicContact CG2-CB 3.91Å; T108-A112 PolarHBondContact O-N 2.9Å; S109-A112 WeakPolarHBondContact O-CB 3.36Å; S109-A112 PolarHBondContact O-N 3.49Å; S110-A112 VanDerWaalsContact C-N 3.33Å; A112-Y114 PolarHBondContact O-N 3.46Å; A112-S115 WeakPolarHBondContact O-CB 3.28Å; A112-S115 PolarHBondContact O-N 3.49Å; A112-S115 VanDerWaalsContact O-N 3.08Å; A112-S115 PolarHBondContact O-OG 2.94Å |
| 113 | V | 92.6 | Very high | 92.5 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 10% | 0.097 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.7 | -36.6 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | S110 L111 S115 I116 L117 V136 T139 | S110-V113 WeakPolarHBondContact O-CG2 3.24Å; L111-V113 PolarHBondContact O-N 3.03Å; V113-S115 VanDerWaalsContact C-N 3.26Å; V113-S115 PolarHBondContact O-N 2.93Å; V113-I116 PolarHBondContact O-N 2.72Å; V113-L117 PolarHBondContact O-N 3Å; V113-V136 HydrophobicContact CG1-CB 4.38Å; V113-V136 HydrophobicContact CG1-CG1 4.47Å; V113-V136 HydrophobicContact CG1-CG2 3.81Å; V113-T139 HydrophobicContact CB-CG2 4.37Å; V113-T139 HydrophobicContact CG1-CG2 3.99Å; V113-T139 WeakPolarHBondContact CG1-OG1 3.33Å; V113-T139 HydrophobicContact CG2-CG2 3.67Å; V113-T139 WeakPolarHBondContact CG2-OG1 3.4Å |
| 114 | Y | 92.7 | Very high | 92.3 | Very high | 119 Ų | 119 | 43 Ų | 43 | 47% | 0.467 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -30.5 | 179.8 | -69.7 | -77.7 | 0 | 0 | 0 | 112.6 | L111 A112 I116 L117 W118 | L111-Y114 HydrophobicContact CD1-CD2 3.86Å; L111-Y114 HydrophobicContact CD1-CE2 4.25Å; L111-Y114 PolarHBondContact O-N 3.1Å; L111-Y114 VanDerWaalsContact O-N 3.12Å; A112-Y114 PolarHBondContact O-N 3.46Å; Y114-I116 VanDerWaalsContact C-N 3.29Å; Y114-I116 PolarHBondContact O-N 2.86Å; Y114-L117 PolarHBondContact O-N 3.38Å; Y114-W118 VanDerWaalsContact O-CB 3.26Å; Y114-W118 WeakPolarHBondContact O-CB 3.18Å; Y114-W118 PolarHBondContact O-N 3.38Å |
| 115 | S | 93.3 | Very high | 91.9 | Very high | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 175.5 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | A74 A112 V113 S119 | A74-S115 WeakPolarHBondContact CB-O 3.46Å; A112-S115 WeakPolarHBondContact O-CB 3.28Å; A112-S115 PolarHBondContact O-N 3.49Å; A112-S115 VanDerWaalsContact O-N 3.08Å; A112-S115 PolarHBondContact O-OG 2.94Å; V113-S115 VanDerWaalsContact C-N 3.26Å; V113-S115 PolarHBondContact O-N 2.93Å; S115-S119 VanDerWaalsContact O-CB 3.3Å; S115-S119 WeakPolarHBondContact O-CB 3.44Å; S115-S119 PolarHBondContact O-N 3.44Å; S115-S119 VanDerWaalsContact O-N 3.07Å; S115-S119 PolarHBondContact O-OG 3.29Å |
| 116 | I | 91.6 | Very high | 91.6 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.6 | -39.4 | -179.6 | -55.4 | 174 | 0 | 0 | 0 | 110.8 | V113 Y114 S119 G120 A135 F211 | V113-I116 PolarHBondContact O-N 2.72Å; Y114-I116 VanDerWaalsContact C-N 3.29Å; Y114-I116 PolarHBondContact O-N 2.86Å; I116-S119 WeakPolarHBondContact CA-OG 3.48Å; I116-S119 PolarHBondContact O-OG 3.47Å; I116-G120 PolarHBondContact O-N 2.89Å; I116-G120 VanDerWaalsContact O-N 3.15Å; I116-A135 HydrophobicContact CG2-CB 3.65Å; I116-F211 HydrophobicContact CG2-CB 4Å; I116-F211 HydrophobicContact CG2-CD1 3.71Å; I116-F211 HydrophobicContact CG2-CD2 4.03Å; I116-F211 HydrophobicContact CG2-CE1 4.14Å; I116-F211 HydrophobicContact CG2-CE2 4.41Å; I116-F211 HydrophobicContact CG2-CG 3.64Å; I116-F211 HydrophobicContact CG2-CZ 4.47Å |
| 117 | L | 93.3 | Very high | 91.5 | Very high | 50 Ų | 50 | 51.2 Ų | 51.2 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.8 | -48.6 | 177.4 | 179.2 | 60.9 | 0 | 0 | 0 | 111.7 | V113 Y114 S119 G120 W121 V136 | V113-L117 PolarHBondContact O-N 3Å; Y114-L117 PolarHBondContact O-N 3.38Å; L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 2.89Å; L117-G120 PolarHBondContact O-N 2.8Å; L117-W121 PolarHBondContact O-N 3.35Å; L117-V136 HydrophobicContact CB-CG2 3.95Å; L117-V136 HydrophobicContact CD1-CG2 4.02Å; L117-V136 HydrophobicContact CD2-CG2 4.45Å; L117-V136 HydrophobicContact CG-CG2 4.34Å |
| 118 | W | 93.8 | Very high | 91.2 | Very high | 90 Ų | 90 | 48.4 Ų | 48.4 | 34% | 0.341 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64 | -37.3 | 178.9 | -69.5 | -2.9 | 0 | 0 | 0 | 111.3 | L70 A74 L77 Y114 A122 | L70-W118 HydrophobicContact CD2-CB 4.44Å; L70-W118 HydrophobicContact CD2-CD2 3.89Å; L70-W118 HydrophobicContact CD2-CE3 3.99Å; L70-W118 HydrophobicContact CD2-CG 4.09Å; A74-W118 HydrophobicContact CB-CB 3.97Å; L77-W118 HydrophobicContact CD1-CZ3 4.15Å; Y114-W118 VanDerWaalsContact O-CB 3.26Å; Y114-W118 WeakPolarHBondContact O-CB 3.18Å; Y114-W118 PolarHBondContact O-N 3.38Å; W118-A122 WeakPolarHBondContact O-CB 3.42Å; W118-A122 PolarHBondContact O-N 2.95Å |
| 119 | S | 91.6 | Very high | 91 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.3 | -43.7 | 179.1 | 69 | 0 | 0 | 0 | 0 | 112.5 | S115 I116 L117 S123 F211 Y215 F223 | S115-S119 VanDerWaalsContact O-CB 3.3Å; S115-S119 WeakPolarHBondContact O-CB 3.44Å; S115-S119 PolarHBondContact O-N 3.44Å; S115-S119 VanDerWaalsContact O-N 3.07Å; S115-S119 PolarHBondContact O-OG 3.29Å; I116-S119 WeakPolarHBondContact CA-OG 3.48Å; I116-S119 PolarHBondContact O-OG 3.47Å; L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 2.89Å; S119-S123 WeakPolarHBondContact O-CB 3.11Å; S119-S123 PolarHBondContact O-N 2.76Å; S119-F211 VanDerWaalsContact OG-CD2 3.26Å; S119-F211 WeakPolarHBondContact OG-CD2 3.41Å; S119-Y215 VanDerWaalsContact CA-OH 3.28Å; S119-Y215 WeakPolarHBondContact CA-OH 3.42Å; S119-Y215 WeakPolarHBondContact CB-OH 3.49Å; S119-F223 VanDerWaalsContact CB-CZ 3.48Å |
| 120 | G | 90.9 | Very high | 91 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.5 | -46.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I116 L117 S123 | I116-G120 PolarHBondContact O-N 2.89Å; I116-G120 VanDerWaalsContact O-N 3.15Å; L117-G120 PolarHBondContact O-N 2.8Å; G120-S123 PolarHBondContact O-N 3.22Å; G120-S123 PolarHBondContact O-OG 3.41Å |
| 121 | W | 92.2 | Very high | 90.9 | Very high | 153 Ų | 153 | 52.4 Ų | 52.4 | 58% | 0.58 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -66.6 | -41.1 | 178.6 | -169.4 | 74.9 | 0 | 0 | 0 | 112.5 | T67 L70 L117 S123 N124 | T67-W121 HydrophobicContact CG2-CZ3 4.37Å; L70-W121 HydrophobicContact CD1-CE3 3.43Å; L70-W121 VanDerWaalsContact CD1-CE3 3.43Å; L70-W121 HydrophobicContact CD1-CZ3 3.39Å; L117-W121 PolarHBondContact O-N 3.35Å; W121-S123 VanDerWaalsContact C-N 3.27Å; W121-S123 PolarHBondContact O-N 3.39Å; W121-N124 PolarHBondContact O-N 3.39Å |
| 122 | A | 91 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.3 | -28.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S66 T67 L70 W118 N124 | S66-A122 CarbonylContact C-O 3.38Å; S66-A122 WeakPolarHBondContact CA-O 3.15Å; S66-A122 WeakPolarHBondContact CB-O 3.41Å; T67-A122 PolarHBondContact N-O 3.13Å; T67-A122 WeakPolarHBondContact OG1-CA 3.49Å; T67-A122 WeakPolarHBondContact OG1-CB 3.41Å; L70-A122 HydrophobicContact CB-CB 3.66Å; W118-A122 WeakPolarHBondContact O-CB 3.42Å; W118-A122 PolarHBondContact O-N 2.95Å; A122-N124 VanDerWaalsContact C-N 3.26Å; A122-N124 PolarHBondContact O-N 3.26Å |
| 123 | S | 86.4 | Confident | 90.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -17.8 | 180 | 73.6 | 0 | 0 | 0 | 0 | 114.1 | S119 G120 W121 S125 A128 | S119-S123 WeakPolarHBondContact O-CB 3.11Å; S119-S123 PolarHBondContact O-N 2.76Å; G120-S123 PolarHBondContact O-N 3.22Å; G120-S123 PolarHBondContact O-OG 3.41Å; W121-S123 VanDerWaalsContact C-N 3.27Å; W121-S123 PolarHBondContact O-N 3.39Å; S123-S125 PolarHBondContact O-N 3.28Å; S123-S125 VanDerWaalsContact O-N 3.17Å; S123-A128 WeakPolarHBondContact OG-CB 3.36Å |
| 124 | N | 89.3 | Confident | 90.8 | Very high | 110 Ų | 110 | 54.7 Ų | 54.7 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 36.7 | 178.7 | -159 | 15 | 0 | 0 | 0 | 114.2 | T65 W121 A122 | T65-N124 VanDerWaalsContact O-CB 3.26Å; T65-N124 WeakPolarHBondContact O-CB 3.16Å; T65-N124 PolarHBondContact O-ND2 2.91Å; W121-N124 PolarHBondContact O-N 3.39Å; A122-N124 VanDerWaalsContact C-N 3.26Å; A122-N124 PolarHBondContact O-N 3.26Å |
| 125 | S | 88.2 | Confident | 90.6 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | trans | -115.4 | 142.2 | 171 | 76.3 | 0 | 0 | 0 | 0 | 110.4 | S123 Y127 A128 L129 | S123-S125 PolarHBondContact O-N 3.28Å; S123-S125 VanDerWaalsContact O-N 3.17Å; S125-Y127 VanDerWaalsContact C-N 3.3Å; S125-Y127 PolarHBondContact O-N 3.35Å; S125-A128 PolarHBondContact O-N 3.4Å; S125-A128 WeakPolarHBondContact OG-CB 3.19Å; S125-A128 PolarHBondContact OG-N 3.03Å; S125-L129 PolarHBondContact O-N 3.02Å | ||
| 126 | N | 88.3 | Confident | 90.5 | Very high | 131 Ų | 131 | 50.1 Ų | 50.1 | 70% | 0.701 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.9 | -39 | -176.2 | -68.8 | -19.5 | 0 | 0 | 0 | 111.9 | L129 I130 | N126-L129 PolarHBondContact O-N 3.46Å; N126-I130 WeakPolarHBondContact O-CD1 3.22Å; N126-I130 VanDerWaalsContact O-CG1 3.27Å; N126-I130 WeakPolarHBondContact O-CG1 3.32Å; N126-I130 PolarHBondContact O-N 2.99Å |
| 127 | Y | 90.1 | Very high | 90.4 | Very high | 140 Ų | 140 | 50.3 Ų | 50.3 | 55% | 0.549 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.1 | -40.9 | 179.3 | -70.4 | -73.4 | 0 | 0 | 0 | 112.3 | S125 L129 I130 G131 L207 I213 | S125-Y127 VanDerWaalsContact C-N 3.3Å; S125-Y127 PolarHBondContact O-N 3.35Å; Y127-L129 VanDerWaalsContact C-N 3.33Å; Y127-L129 PolarHBondContact O-N 3.05Å; Y127-I130 PolarHBondContact O-N 3.02Å; Y127-G131 PolarHBondContact O-N 2.84Å; Y127-L207 HydrophobicContact CD1-CD2 3.99Å; Y127-I213 VanDerWaalsContact CB-CD1 3.48Å |
| 128 | A | 89.1 | Confident | 90.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.3 | -35 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S123 S125 G131 A132 G210 | S123-A128 WeakPolarHBondContact OG-CB 3.36Å; S125-A128 PolarHBondContact O-N 3.4Å; S125-A128 WeakPolarHBondContact OG-CB 3.19Å; S125-A128 PolarHBondContact OG-N 3.03Å; A128-G131 PolarHBondContact O-N 3.07Å; A128-A132 WeakPolarHBondContact O-CB 3.46Å; A128-A132 PolarHBondContact O-N 3.41Å; A128-G210 VanDerWaalsContact CA-O 3.23Å; A128-G210 WeakPolarHBondContact CA-O 3.34Å; A128-G210 WeakPolarHBondContact CB-O 3.25Å |
| 129 | L | 90.4 | Very high | 90.2 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 34% | 0.34 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 173.3 | -173.1 | 65.1 | 0 | 0 | 0 | 111.7 | S125 N126 Y127 A132 L133 | S125-L129 PolarHBondContact O-N 3.02Å; N126-L129 PolarHBondContact O-N 3.46Å; Y127-L129 VanDerWaalsContact C-N 3.33Å; Y127-L129 PolarHBondContact O-N 3.05Å; L129-A132 PolarHBondContact O-N 3.15Å; L129-L133 HydrophobicContact CG-CD1 4.27Å; L129-L133 WeakPolarHBondContact O-CG 3.2Å; L129-L133 PolarHBondContact O-N 3.48Å |
| 130 | I | 90.3 | Very high | 90.1 | Very high | 80 Ų | 80 | 48.3 Ų | 48.3 | 41% | 0.41 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 176.3 | -67.6 | 164.4 | 0 | 0 | 0 | 110.8 | N126 Y127 L133 R134 L207 | N126-I130 WeakPolarHBondContact O-CD1 3.22Å; N126-I130 VanDerWaalsContact O-CG1 3.27Å; N126-I130 WeakPolarHBondContact O-CG1 3.32Å; N126-I130 PolarHBondContact O-N 2.99Å; Y127-I130 PolarHBondContact O-N 3.02Å; I130-L133 PolarHBondContact O-N 3.27Å; I130-R134 WeakPolarHBondContact O-CB 3.49Å; I130-R134 WeakPolarHBondContact O-CG 3.26Å; I130-R134 PolarHBondContact O-N 3.33Å; I130-L207 HydrophobicContact CB-CD2 4.34Å; I130-L207 HydrophobicContact CG2-CD2 3.93Å |
| 131 | G | 89.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y127 A128 R134 A135 | Y127-G131 PolarHBondContact O-N 2.84Å; A128-G131 PolarHBondContact O-N 3.07Å; G131-R134 PolarHBondContact O-N 3.5Å; G131-A135 WeakPolarHBondContact O-CB 3.48Å; G131-A135 PolarHBondContact O-N 2.76Å |
| 132 | A | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A128 L129 R134 A135 V136 F211 | A128-A132 WeakPolarHBondContact O-CB 3.46Å; A128-A132 PolarHBondContact O-N 3.41Å; L129-A132 PolarHBondContact O-N 3.15Å; A132-R134 VanDerWaalsContact C-N 3.33Å; A132-R134 PolarHBondContact O-N 3.31Å; A132-A135 PolarHBondContact O-N 2.98Å; A132-V136 WeakPolarHBondContact O-CG2 3.23Å; A132-V136 PolarHBondContact O-N 3.44Å; A132-F211 HydrophobicContact CB-CB 4.44Å |
| 133 | L | 91.2 | Very high | 90.1 | Very high | 98 Ų | 98 | 43.7 Ų | 43.7 | 51% | 0.513 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.6 | -37.7 | 177.7 | -71.9 | 173.2 | 0 | 0 | 0 | 112.2 | L129 I130 A137 | L129-L133 HydrophobicContact CG-CD1 4.27Å; L129-L133 WeakPolarHBondContact O-CG 3.2Å; L129-L133 PolarHBondContact O-N 3.48Å; I130-L133 PolarHBondContact O-N 3.27Å; L133-A137 WeakPolarHBondContact O-CB 3.02Å; L133-A137 PolarHBondContact O-N 3.24Å |
| 134 | R | 91 | Very high | 90.5 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 25% | 0.245 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 173.3 | -78.1 | 174.6 | 162.1 | -163.2 | -3.8 | 111.9 | I130 G131 A132 A137 Q138 E206 Y282 | I130-R134 WeakPolarHBondContact O-CB 3.49Å; I130-R134 WeakPolarHBondContact O-CG 3.26Å; I130-R134 PolarHBondContact O-N 3.33Å; G131-R134 PolarHBondContact O-N 3.5Å; A132-R134 VanDerWaalsContact C-N 3.33Å; A132-R134 PolarHBondContact O-N 3.31Å; R134-A137 PolarHBondContact O-N 3.05Å; R134-Q138 WeakPolarHBondContact O-CB 3.09Å; R134-Q138 PolarHBondContact O-N 3.17Å; R134-E206 IonicContact CZ-OE2 2.66Å; R134-E206 VanDerWaalsContact CZ-OE2 3.29Å; R134-E206 IonicContact NH1-OE2 2.78Å; R134-E206 PolarHBondContact NH1-OE2 3.35Å; R134-E206 IonicContact NH2-OE2 3.11Å; R134-E206 PolarHBondContact NH2-OE2 2.96Å; R134-Y282 HydrophobicContact CG-CD2 4.31Å |
| 135 | A | 89.4 | Confident | 90.7 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -48.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I116 G131 A132 A137 Q138 T139 A201 | I116-A135 HydrophobicContact CG2-CB 3.65Å; G131-A135 WeakPolarHBondContact O-CB 3.48Å; G131-A135 PolarHBondContact O-N 2.76Å; A132-A135 PolarHBondContact O-N 2.98Å; A135-A137 VanDerWaalsContact C-N 3.35Å; A135-A137 PolarHBondContact O-N 3.34Å; A135-Q138 WeakPolarHBondContact O-CB 3.32Å; A135-Q138 PolarHBondContact O-N 2.86Å; A135-T139 WeakPolarHBondContact O-CG2 3.44Å; A135-T139 PolarHBondContact O-N 2.85Å; A135-A201 HydrophobicContact CB-CB 3.72Å |
| 136 | V | 90.8 | Very high | 90.9 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 17% | 0.17 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 177.6 | 172.8 | 0 | 0 | 0 | 0 | 112.1 | V113 L117 A132 Q138 T139 I140 | V113-V136 HydrophobicContact CG1-CB 4.38Å; V113-V136 HydrophobicContact CG1-CG1 4.47Å; V113-V136 HydrophobicContact CG1-CG2 3.81Å; L117-V136 HydrophobicContact CB-CG2 3.95Å; L117-V136 HydrophobicContact CD1-CG2 4.02Å; L117-V136 HydrophobicContact CD2-CG2 4.45Å; L117-V136 HydrophobicContact CG-CG2 4.34Å; A132-V136 WeakPolarHBondContact O-CG2 3.23Å; A132-V136 PolarHBondContact O-N 3.44Å; V136-Q138 VanDerWaalsContact C-N 3.32Å; V136-Q138 PolarHBondContact O-N 2.91Å; V136-T139 PolarHBondContact O-N 3.31Å; V136-T139 PolarHBondContact O-OG1 3.13Å; V136-I140 HydrophobicContact CG1-CD1 3.76Å; V136-I140 HydrophobicContact CG1-CG1 4.43Å; V136-I140 VanDerWaalsContact O-CG1 3.3Å; V136-I140 WeakPolarHBondContact O-CG1 3.49Å; V136-I140 PolarHBondContact O-N 2.65Å |
| 137 | A | 90.2 | Very high | 91.2 | Very high | 24 Ų | 24 | 35.9 Ų | 35.9 | 20% | 0.198 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.1 | -35.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L133 R134 A135 T139 S141 Y282 | L133-A137 WeakPolarHBondContact O-CB 3.02Å; L133-A137 PolarHBondContact O-N 3.24Å; R134-A137 PolarHBondContact O-N 3.05Å; A135-A137 VanDerWaalsContact C-N 3.35Å; A135-A137 PolarHBondContact O-N 3.34Å; A137-T139 VanDerWaalsContact C-N 3.34Å; A137-S141 WeakPolarHBondContact O-CB 3.3Å; A137-S141 PolarHBondContact O-N 2.9Å; A137-S141 PolarHBondContact O-OG 3.01Å; A137-Y282 HydrophobicContact CB-CE2 3.95Å; A137-Y282 WeakPolarHBondContact CB-OH 3.33Å |
| 138 | Q | 91.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 169.4 | -168 | 179.7 | -33.3 | 0 | 0 | 109.9 | R134 A135 V136 I140 S141 Y142 A191 N194 F198 L285 | R134-Q138 WeakPolarHBondContact O-CB 3.09Å; R134-Q138 PolarHBondContact O-N 3.17Å; A135-Q138 WeakPolarHBondContact O-CB 3.32Å; A135-Q138 PolarHBondContact O-N 2.86Å; V136-Q138 VanDerWaalsContact C-N 3.32Å; V136-Q138 PolarHBondContact O-N 2.91Å; Q138-I140 PolarHBondContact O-N 3.37Å; Q138-S141 PolarHBondContact O-N 3.02Å; Q138-S141 VanDerWaalsContact O-N 3.11Å; Q138-S141 PolarHBondContact O-OG 3.25Å; Q138-Y142 VanDerWaalsContact C-CE1 3.43Å; Q138-Y142 HydrophobicContact CB-CE1 4.28Å; Q138-Y142 HydrophobicContact CG-CD1 3.86Å; Q138-Y142 HydrophobicContact CG-CE1 3.72Å; Q138-Y142 WeakPolarHBondContact O-CD1 3.46Å; Q138-Y142 VanDerWaalsContact O-CE1 3.28Å; Q138-Y142 WeakPolarHBondContact O-CE1 3.5Å; Q138-Y142 PolarHBondContact O-N 3.44Å; Q138-Y142 VanDerWaalsContact O-N 3.17Å; Q138-A191 PolarHBondContact NE2-O 3.12Å; Q138-N194 PolarHBondContact NE2-OD1 3.34Å; Q138-F198 PolarHBondContact NE2-O 2.96Å; Q138-F198 PolarHBondContact OE1-O 3.44Å; Q138-L285 HydrophobicContact CG-CD1 3.81Å; Q138-L285 HydrophobicContact CG-CD2 4.04Å |
| 139 | T | 90.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -47.9 | -176 | 74.2 | 0 | 0 | 0 | 0 | 114 | V113 A135 V136 A137 S141 Y142 E143 | V113-T139 HydrophobicContact CB-CG2 4.37Å; V113-T139 HydrophobicContact CG1-CG2 3.99Å; V113-T139 WeakPolarHBondContact CG1-OG1 3.33Å; V113-T139 HydrophobicContact CG2-CG2 3.67Å; V113-T139 WeakPolarHBondContact CG2-OG1 3.4Å; A135-T139 WeakPolarHBondContact O-CG2 3.44Å; A135-T139 PolarHBondContact O-N 2.85Å; V136-T139 PolarHBondContact O-N 3.31Å; V136-T139 PolarHBondContact O-OG1 3.13Å; A137-T139 VanDerWaalsContact C-N 3.34Å; T139-S141 PolarHBondContact O-N 3.12Å; T139-Y142 WeakPolarHBondContact CA-OH 3.48Å; T139-Y142 VanDerWaalsContact CB-OH 3.31Å; T139-Y142 WeakPolarHBondContact CB-OH 3.09Å; T139-Y142 HydrophobicContact CG2-CE1 4.14Å; T139-Y142 WeakPolarHBondContact CG2-OH 3.04Å; T139-Y142 WeakPolarHBondContact O-CD2 3.28Å; T139-Y142 PolarHBondContact O-N 3.47Å; T139-E143 WeakPolarHBondContact O-CB 3.42Å; T139-E143 VanDerWaalsContact O-CG 3.29Å; T139-E143 WeakPolarHBondContact O-CG 3.23Å; T139-E143 PolarHBondContact O-N 3.24Å |
| 140 | I | 88.9 | Confident | 92 | Very high | 95 Ų | 95 | 27.9 Ų | 27.9 | 49% | 0.487 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.1 | -38.7 | 176.6 | -63.4 | 163.3 | 0 | 0 | 0 | 110.7 | V136 Q138 V144 | V136-I140 HydrophobicContact CG1-CD1 3.76Å; V136-I140 HydrophobicContact CG1-CG1 4.43Å; V136-I140 VanDerWaalsContact O-CG1 3.3Å; V136-I140 WeakPolarHBondContact O-CG1 3.49Å; V136-I140 PolarHBondContact O-N 2.65Å; Q138-I140 PolarHBondContact O-N 3.37Å; I140-V144 WeakPolarHBondContact O-CG2 3.42Å |
| 141 | S | 90.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.3 | -41.6 | -175.7 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | A137 Q138 T139 L289 | A137-S141 WeakPolarHBondContact O-CB 3.3Å; A137-S141 PolarHBondContact O-N 2.9Å; A137-S141 PolarHBondContact O-OG 3.01Å; Q138-S141 PolarHBondContact O-N 3.02Å; Q138-S141 VanDerWaalsContact O-N 3.11Å; Q138-S141 PolarHBondContact O-OG 3.25Å; T139-S141 PolarHBondContact O-N 3.12Å; S141-L289 WeakPolarHBondContact OG-CD1 3.31Å |
| 142 | Y | 90.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -83.1 | -30.1 | -179.6 | 57.7 | -114.7 | 0 | 0 | 0 | 112.6 | Q138 T139 V144 T145 L146 A191 E192 | Q138-Y142 VanDerWaalsContact C-CE1 3.43Å; Q138-Y142 HydrophobicContact CB-CE1 4.28Å; Q138-Y142 HydrophobicContact CG-CD1 3.86Å; Q138-Y142 HydrophobicContact CG-CE1 3.72Å; Q138-Y142 WeakPolarHBondContact O-CD1 3.46Å; Q138-Y142 VanDerWaalsContact O-CE1 3.28Å; Q138-Y142 WeakPolarHBondContact O-CE1 3.5Å; Q138-Y142 PolarHBondContact O-N 3.44Å; Q138-Y142 VanDerWaalsContact O-N 3.17Å; T139-Y142 WeakPolarHBondContact CA-OH 3.48Å; T139-Y142 VanDerWaalsContact CB-OH 3.31Å; T139-Y142 WeakPolarHBondContact CB-OH 3.09Å; T139-Y142 HydrophobicContact CG2-CE1 4.14Å; T139-Y142 WeakPolarHBondContact CG2-OH 3.04Å; T139-Y142 WeakPolarHBondContact O-CD2 3.28Å; T139-Y142 PolarHBondContact O-N 3.47Å; Y142-V144 VanDerWaalsContact C-N 3.26Å; Y142-V144 PolarHBondContact O-N 3Å; Y142-T145 PolarHBondContact O-N 3.12Å; Y142-T145 VanDerWaalsContact O-N 3.11Å; Y142-T145 PolarHBondContact O-OG1 3.45Å; Y142-L146 VanDerWaalsContact O-CB 3.3Å; Y142-L146 WeakPolarHBondContact O-CB 3.25Å; Y142-L146 PolarHBondContact O-N 2.67Å; Y142-A191 HydrophobicContact CD1-CB 3.89Å; Y142-A191 VanDerWaalsContact CE1-O 3.31Å; Y142-A191 WeakPolarHBondContact CE1-O 3.35Å; Y142-A191 HydrophobicContact CG-CB 4.39Å; Y142-E192 HydrophobicContact CD2-CB 3.9Å; Y142-E192 HydrophobicContact CD2-CG 4.22Å; Y142-E192 HydrophobicContact CE1-CB 4.43Å; Y142-E192 HydrophobicContact CE2-CB 3.54Å; Y142-E192 HydrophobicContact CE2-CG 3.5Å; Y142-E192 VanDerWaalsContact CE2-CG 3.5Å; Y142-E192 PolarHBondContact OH-O 3.03Å |
| 143 | E | 93.2 | Very high | 92.5 | Very high | 45 Ų | 45 | 27.7 Ų | 27.7 | 21% | 0.21 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.6 | -39.2 | 179 | -84.5 | 178.5 | -161.2 | 0 | 0 | 112.4 | S110 T139 T145 L146 A147 | S110-E143 WeakPolarHBondContact CA-OE1 3.3Å; T139-E143 WeakPolarHBondContact O-CB 3.42Å; T139-E143 VanDerWaalsContact O-CG 3.29Å; T139-E143 WeakPolarHBondContact O-CG 3.23Å; T139-E143 PolarHBondContact O-N 3.24Å; E143-T145 PolarHBondContact O-N 3.43Å; E143-L146 PolarHBondContact O-N 3.28Å; E143-A147 WeakPolarHBondContact O-CB 3.37Å; E143-A147 PolarHBondContact O-N 3.21Å |
| 144 | V | 94.3 | Very high | 92.5 | Very high | 57 Ų | 57 | 23.5 Ų | 23.5 | 35% | 0.345 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -60.2 | -48.8 | 176.7 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | I140 Y142 I148 L294 | I140-V144 WeakPolarHBondContact O-CG2 3.42Å; Y142-V144 VanDerWaalsContact C-N 3.26Å; Y142-V144 PolarHBondContact O-N 3Å; V144-I148 HydrophobicContact CG1-CD1 4.1Å; V144-I148 WeakPolarHBondContact O-CD1 3.24Å; V144-I148 WeakPolarHBondContact O-CG1 3.49Å; V144-I148 PolarHBondContact O-N 3.41Å; V144-L294 HydrophobicContact CG1-CD1 3.68Å |
| 145 | T | 93.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.8 | -38.3 | 178.8 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | Y142 E143 A147 I148 I149 F293 L294 | Y142-T145 PolarHBondContact O-N 3.12Å; Y142-T145 VanDerWaalsContact O-N 3.11Å; Y142-T145 PolarHBondContact O-OG1 3.45Å; E143-T145 PolarHBondContact O-N 3.43Å; T145-A147 PolarHBondContact O-N 2.91Å; T145-I148 PolarHBondContact O-N 3.33Å; T145-I149 WeakPolarHBondContact O-CB 3.26Å; T145-I149 WeakPolarHBondContact O-CD1 3.05Å; T145-I149 WeakPolarHBondContact O-CG1 3.23Å; T145-I149 PolarHBondContact O-N 3.1Å; T145-F293 HydrophobicContact CG2-CB 4.04Å; T145-L294 HydrophobicContact CG2-CD1 4.4Å |
| 146 | L | 93.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.5 | -48.7 | 177.9 | -168.7 | 96.7 | 0 | 0 | 0 | 110.5 | L106 Y142 E143 I148 I149 L150 W185 T189 E192 | L106-L146 HydrophobicContact CD1-CD2 4.34Å; Y142-L146 VanDerWaalsContact O-CB 3.3Å; Y142-L146 WeakPolarHBondContact O-CB 3.25Å; Y142-L146 PolarHBondContact O-N 2.67Å; E143-L146 PolarHBondContact O-N 3.28Å; L146-I148 PolarHBondContact O-N 3.01Å; L146-I149 PolarHBondContact O-N 3.2Å; L146-L150 HydrophobicContact CD2-CD1 4.07Å; L146-L150 HydrophobicContact CG-CD1 4.01Å; L146-L150 WeakPolarHBondContact O-CB 3.46Å; L146-L150 WeakPolarHBondContact O-CD1 3.37Å; L146-L150 VanDerWaalsContact O-CG 3.28Å; L146-L150 WeakPolarHBondContact O-CG 3.34Å; L146-L150 PolarHBondContact O-N 3.27Å; L146-W185 HydrophobicContact CD1-CE3 3.99Å; L146-W185 HydrophobicContact CD1-CH2 3.48Å; L146-W185 VanDerWaalsContact CD1-CH2 3.48Å; L146-W185 HydrophobicContact CD1-CZ2 4.33Å; L146-W185 HydrophobicContact CD1-CZ3 3.28Å; L146-W185 HydrophobicContact CD2-CH2 4.47Å; L146-W185 HydrophobicContact CD2-CZ3 4.46Å; L146-W185 HydrophobicContact CG-CE3 4.44Å; L146-W185 HydrophobicContact CG-CH2 3.92Å; L146-W185 HydrophobicContact CG-CZ3 3.52Å; L146-T189 HydrophobicContact CD1-CG2 4.36Å; L146-E192 WeakPolarHBondContact CD1-OE2 3.43Å |
| 147 | A | 95.1 | Very high | 92.8 | Very high | 37 Ų | 37 | 24.3 Ų | 24.3 | 31% | 0.306 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L106 E143 T145 L150 L151 | L106-A147 HydrophobicContact CD1-CB 3.77Å; E143-A147 WeakPolarHBondContact O-CB 3.37Å; E143-A147 PolarHBondContact O-N 3.21Å; T145-A147 PolarHBondContact O-N 2.91Å; A147-L150 PolarHBondContact O-N 2.95Å; A147-L151 WeakPolarHBondContact O-CB 3.39Å; A147-L151 PolarHBondContact O-N 3.25Å |
| 148 | I | 95.3 | Very high | 92.8 | Very high | 28 Ų | 28 | 24.5 Ų | 24.5 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.4 | -42 | -179.9 | -63.4 | 165.2 | 0 | 0 | 0 | 110.7 | V144 T145 L146 L151 S152 L294 L298 L301 | V144-I148 HydrophobicContact CG1-CD1 4.1Å; V144-I148 WeakPolarHBondContact O-CD1 3.24Å; V144-I148 WeakPolarHBondContact O-CG1 3.49Å; V144-I148 PolarHBondContact O-N 3.41Å; T145-I148 PolarHBondContact O-N 3.33Å; L146-I148 PolarHBondContact O-N 3.01Å; I148-L151 PolarHBondContact O-N 2.94Å; I148-S152 WeakPolarHBondContact O-CB 3.26Å; I148-S152 PolarHBondContact O-N 3.3Å; I148-S152 PolarHBondContact O-OG 3.49Å; I148-L294 HydrophobicContact CD1-CD1 3.97Å; I148-L298 HydrophobicContact CD1-CD2 4.16Å; I148-L301 HydrophobicContact CG2-CB 4.15Å; I148-L301 HydrophobicContact CG2-CD2 4.28Å |
| 149 | I | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.8 | -48.5 | 176.6 | -67.5 | 162.4 | 0 | 0 | 0 | 109.9 | T145 L146 L151 S152 T153 L181 M184 W185 T297 | T145-I149 WeakPolarHBondContact O-CB 3.26Å; T145-I149 WeakPolarHBondContact O-CD1 3.05Å; T145-I149 WeakPolarHBondContact O-CG1 3.23Å; T145-I149 PolarHBondContact O-N 3.1Å; L146-I149 PolarHBondContact O-N 3.2Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 3.43Å; I149-S152 WeakPolarHBondContact CA-OG 3.49Å; I149-S152 PolarHBondContact O-N 3.46Å; I149-S152 PolarHBondContact O-OG 3.18Å; I149-T153 PolarHBondContact O-N 2.87Å; I149-T153 PolarHBondContact O-OG1 3.46Å; I149-L181 HydrophobicContact CG1-CD2 4.24Å; I149-L181 HydrophobicContact CG2-CB 4.14Å; I149-L181 HydrophobicContact CG2-CD2 4.24Å; I149-M184 HydrophobicContact CD1-CB 3.83Å; I149-W185 HydrophobicContact CB-CE3 4.38Å; I149-W185 HydrophobicContact CG2-CB 3.98Å; I149-W185 HydrophobicContact CG2-CE3 3.93Å; I149-T297 HydrophobicContact CD1-CG2 3.84Å; I149-T297 HydrophobicContact CG1-CG2 3.49Å; I149-T297 VanDerWaalsContact CG1-CG2 3.49Å |
| 150 | L | 94.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.1 | -49.4 | 176.8 | -75.8 | 161.3 | 0 | 0 | 0 | 111.4 | L102 L106 L146 A147 S152 T153 L154 W185 I241 | L102-L150 HydrophobicContact CD1-CD2 3.74Å; L102-L150 HydrophobicContact CD2-CB 3.9Å; L102-L150 HydrophobicContact CD2-CD1 3.87Å; L102-L150 HydrophobicContact CD2-CD2 3.84Å; L102-L150 HydrophobicContact CD2-CG 4.05Å; L102-L150 HydrophobicContact CG-CD2 4.17Å; L106-L150 HydrophobicContact CD1-CD1 3.81Å; L146-L150 HydrophobicContact CD2-CD1 4.07Å; L146-L150 HydrophobicContact CG-CD1 4.01Å; L146-L150 WeakPolarHBondContact O-CB 3.46Å; L146-L150 WeakPolarHBondContact O-CD1 3.37Å; L146-L150 VanDerWaalsContact O-CG 3.28Å; L146-L150 WeakPolarHBondContact O-CG 3.34Å; L146-L150 PolarHBondContact O-N 3.27Å; A147-L150 PolarHBondContact O-N 2.95Å; L150-S152 VanDerWaalsContact C-N 3.29Å; L150-S152 PolarHBondContact O-N 2.92Å; L150-T153 PolarHBondContact O-N 3.42Å; L150-T153 VanDerWaalsContact O-N 3.16Å; L150-T153 PolarHBondContact O-OG1 2.97Å; L150-L154 WeakPolarHBondContact O-CB 3.29Å; L150-L154 VanDerWaalsContact O-CG 3.26Å; L150-L154 WeakPolarHBondContact O-CG 3.48Å; L150-L154 PolarHBondContact O-N 3.26Å; L150-W185 HydrophobicContact CD1-CH2 3.88Å; L150-W185 HydrophobicContact CD1-CZ3 3.6Å; L150-W185 HydrophobicContact CD2-CE3 4.26Å; L150-W185 HydrophobicContact CD2-CH2 3.69Å; L150-W185 HydrophobicContact CD2-CZ3 3.5Å; L150-W185 HydrophobicContact CG-CE3 4.19Å; L150-W185 HydrophobicContact CG-CH2 3.93Å; L150-W185 HydrophobicContact CG-CZ3 3.36Å; L150-I241 HydrophobicContact CD2-CD1 3.33Å |
| 151 | L | 94.7 | Very high | 93.2 | Very high | 76 Ų | 76 | 25 Ų | 25 | 40% | 0.398 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -56.2 | -45.8 | 178.1 | -177.6 | 69.5 | 0 | 0 | 0 | 111.4 | A147 I148 I149 T153 L154 L155 L301 | A147-L151 WeakPolarHBondContact O-CB 3.39Å; A147-L151 PolarHBondContact O-N 3.25Å; I148-L151 PolarHBondContact O-N 2.94Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 3.43Å; L151-T153 PolarHBondContact O-N 3.31Å; L151-L154 PolarHBondContact O-N 3.11Å; L151-L155 WeakPolarHBondContact O-CG 3.34Å; L151-L155 PolarHBondContact O-N 2.82Å; L151-L301 HydrophobicContact CB-CD1 4.41Å; L151-L301 HydrophobicContact CD2-CD1 3.82Å; L151-L301 HydrophobicContact CD2-CD2 4.5Å; L151-L301 HydrophobicContact CG-CD1 4.05Å |
| 152 | S | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -37.3 | 179.1 | 65.3 | 0 | 0 | 0 | 0 | 113.5 | I148 I149 L150 L181 | I148-S152 WeakPolarHBondContact O-CB 3.26Å; I148-S152 PolarHBondContact O-N 3.3Å; I148-S152 PolarHBondContact O-OG 3.49Å; I149-S152 WeakPolarHBondContact CA-OG 3.49Å; I149-S152 PolarHBondContact O-N 3.46Å; I149-S152 PolarHBondContact O-OG 3.18Å; L150-S152 VanDerWaalsContact C-N 3.29Å; L150-S152 PolarHBondContact O-N 2.92Å; S152-L181 WeakPolarHBondContact OG-CD1 3.27Å; S152-L181 WeakPolarHBondContact OG-CD2 3.49Å |
| 153 | T | 92.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.4 | -35.9 | 173.7 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | I149 L150 L151 L155 M156 L174 L181 I241 F242 | I149-T153 PolarHBondContact O-N 2.87Å; I149-T153 PolarHBondContact O-OG1 3.46Å; L150-T153 PolarHBondContact O-N 3.42Å; L150-T153 VanDerWaalsContact O-N 3.16Å; L150-T153 PolarHBondContact O-OG1 2.97Å; L151-T153 PolarHBondContact O-N 3.31Å; T153-L155 VanDerWaalsContact C-N 3.3Å; T153-L155 PolarHBondContact O-N 3.48Å; T153-M156 WeakPolarHBondContact O-CB 3.04Å; T153-M156 PolarHBondContact O-N 3.08Å; T153-M156 VanDerWaalsContact O-N 3.16Å; T153-L174 HydrophobicContact CG2-CD2 4.42Å; T153-L181 HydrophobicContact CG2-CB 4.44Å; T153-L181 HydrophobicContact CG2-CD1 4.03Å; T153-I241 HydrophobicContact CG2-CG2 4.28Å; T153-F242 HydrophobicContact CG2-CE1 3.68Å; T153-F242 HydrophobicContact CG2-CZ 3.66Å |
| 154 | L | 92.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.7 | -27 | -178.2 | -75.1 | 177 | 0 | 0 | 0 | 113.2 | L102 L150 L151 M156 S157 G158 S159 F160 L165 | L102-L154 HydrophobicContact CD1-CD1 4.05Å; L102-L154 HydrophobicContact CD1-CD2 3.86Å; L102-L154 HydrophobicContact CD1-CG 4.14Å; L102-L154 HydrophobicContact CD2-CD1 3.95Å; L102-L154 HydrophobicContact CG-CD1 4.41Å; L150-L154 WeakPolarHBondContact O-CB 3.29Å; L150-L154 VanDerWaalsContact O-CG 3.26Å; L150-L154 WeakPolarHBondContact O-CG 3.48Å; L150-L154 PolarHBondContact O-N 3.26Å; L151-L154 PolarHBondContact O-N 3.11Å; L154-M156 PolarHBondContact O-N 2.86Å; L154-M156 VanDerWaalsContact O-N 3.15Å; L154-S157 WeakPolarHBondContact CA-OG 3.36Å; L154-S157 WeakPolarHBondContact CD2-OG 3.08Å; L154-S157 WeakPolarHBondContact O-CA 3.33Å; L154-S157 PolarHBondContact O-N 3.26Å; L154-S157 PolarHBondContact O-OG 3.3Å; L154-G158 PolarHBondContact O-N 3.44Å; L154-S159 WeakPolarHBondContact CD2-O 3.47Å; L154-F160 HydrophobicContact CD1-CD1 3.31Å; L154-F160 HydrophobicContact CD1-CE1 3.41Å; L154-F160 VanDerWaalsContact CD1-CE1 3.41Å; L154-F160 HydrophobicContact CD1-CG 4.28Å; L154-F160 HydrophobicContact CD1-CZ 4.44Å; L154-L165 HydrophobicContact CD2-CD1 4.39Å |
| 155 | L | 93.1 | Very high | 93.3 | Very high | 57 Ų | 57 | 22.4 Ų | 22.4 | 30% | 0.298 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.4 | 172.9 | -69.3 | 171 | 0 | 0 | 0 | 113 | L151 T153 L301 V305 P315 | L151-L155 WeakPolarHBondContact O-CG 3.34Å; L151-L155 PolarHBondContact O-N 2.82Å; T153-L155 VanDerWaalsContact C-N 3.3Å; T153-L155 PolarHBondContact O-N 3.48Å; L155-L301 HydrophobicContact CD1-CD1 4.34Å; L155-V305 HydrophobicContact CD1-CB 4.38Å; L155-V305 HydrophobicContact CD1-CG2 3.48Å; L155-V305 VanDerWaalsContact CD1-CG2 3.48Å; L155-P315 WeakPolarHBondContact O-CD 3.46Å; L155-P315 VanDerWaalsContact O-CG 3.22Å; L155-P315 WeakPolarHBondContact O-CG 3.46Å |
| 156 | M | 90.8 | Very high | 93.3 | Very high | 48 Ų | 48 | 22.9 Ų | 22.9 | 24% | 0.236 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -20.3 | 172.8 | -60.3 | -169.4 | 63.8 | 0 | 0 | 113.2 | T153 L154 L174 P177 Y304 P315 | T153-M156 WeakPolarHBondContact O-CB 3.04Å; T153-M156 PolarHBondContact O-N 3.08Å; T153-M156 VanDerWaalsContact O-N 3.16Å; L154-M156 PolarHBondContact O-N 2.86Å; L154-M156 VanDerWaalsContact O-N 3.15Å; M156-L174 HydrophobicContact CB-CD1 3.89Å; M156-L174 HydrophobicContact CE-CD1 3.82Å; M156-L174 HydrophobicContact CG-CD1 4.38Å; M156-L174 HydrophobicContact SD-CD1 3.68Å; M156-P177 HydrophobicContact CE-CB 3.8Å; M156-P177 HydrophobicContact CE-CG 3.63Å; M156-P177 HydrophobicContact SD-CB 4.32Å; M156-P177 HydrophobicContact SD-CG 4.22Å; M156-Y304 HydrophobicContact CG-CD1 4.14Å; M156-Y304 HydrophobicContact SD-CD1 3.99Å; M156-Y304 HydrophobicContact SD-CE1 3.75Å; M156-P315 WeakPolarHBondContact O-CB 3.15Å |
| 157 | S | 92.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 26.4 Ų | 26.4 | 4% | 0.035 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -27.5 | -179.4 | 69.8 | 0 | 0 | 0 | 0 | 114.6 | L154 S159 | L154-S157 WeakPolarHBondContact CA-OG 3.36Å; L154-S157 WeakPolarHBondContact CD2-OG 3.08Å; L154-S157 WeakPolarHBondContact O-CA 3.33Å; L154-S157 PolarHBondContact O-N 3.26Å; L154-S157 PolarHBondContact O-OG 3.3Å; S157-S159 VanDerWaalsContact C-N 3.3Å; S157-S159 PolarHBondContact O-N 3.2Å; S157-S159 PolarHBondContact OG-O 2.65Å |
| 158 | G | 90.4 | Very high | 93.1 | Very high | 28 Ų | 28 | 27 Ų | 27 | 29% | 0.289 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 82.2 | -11.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116.1 | L154 | L154-G158 PolarHBondContact O-N 3.44Š|
| 159 | S | 92.9 | Very high | 93 | Very high | 23 Ų | 23 | 25.9 Ų | 25.9 | 16% | 0.161 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -146.3 | 158.4 | -177.1 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | L154 S157 N161 T164 | L154-S159 WeakPolarHBondContact CD2-O 3.47Å; S157-S159 VanDerWaalsContact C-N 3.3Å; S157-S159 PolarHBondContact O-N 3.2Å; S157-S159 PolarHBondContact OG-O 2.65Å; S159-N161 VanDerWaalsContact C-N 3.32Å; S159-T164 VanDerWaalsContact OG-CB 3.31Å; S159-T164 WeakPolarHBondContact OG-CB 3.28Å; S159-T164 WeakPolarHBondContact OG-CG2 3.49Å; S159-T164 PolarHBondContact OG-OG1 3.38Å |
| 160 | F | 92.8 | Very high | 92.8 | Very high | 68 Ų | 68 | 30 Ų | 30 | 30% | 0.298 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -88.6 | 3.4 | 178.7 | -69.5 | -85.7 | 0 | 0 | 0 | 113.8 | N99 L100 G101 L102 L103 L154 | N99-F160 CarbonylContact O-C 3.38Å; L100-F160 HydrophobicContact CD2-CB 3.94Å; L100-F160 HydrophobicContact CD2-CD2 4Å; L100-F160 HydrophobicContact CD2-CG 4.21Å; G101-F160 PolarHBondContact N-O 3.45Å; L102-F160 PolarHBondContact N-O 2.61Å; L102-F160 VanDerWaalsContact N-O 3.13Å; L103-F160 HydrophobicContact CD1-CD1 4.09Å; L103-F160 HydrophobicContact CD1-CE1 4.23Å; L103-F160 HydrophobicContact CD1-CG 4.25Å; L103-F160 HydrophobicContact CD2-CD1 4.44Å; L103-F160 HydrophobicContact CD2-CE1 4.22Å; L103-F160 HydrophobicContact CG-CD1 3.81Å; L103-F160 HydrophobicContact CG-CE1 4.04Å; L103-F160 HydrophobicContact CG-CG 4.37Å; L154-F160 HydrophobicContact CD1-CD1 3.31Å; L154-F160 HydrophobicContact CD1-CE1 3.41Å; L154-F160 VanDerWaalsContact CD1-CE1 3.41Å; L154-F160 HydrophobicContact CD1-CG 4.28Å; L154-F160 HydrophobicContact CD1-CZ 4.44Å |
| 161 | N | 94.3 | Very high | 92.5 | Very high | 18 Ų | 18 | 38 Ų | 38 | 10% | 0.096 | 21% | 0.206 | C | C | . | . | trans | -76.8 | 135.4 | 178.6 | -167.2 | -23.1 | 0 | 0 | 0 | 109 | N97 N99 S159 S163 T164 | N97-N161 PolarHBondContact OD1-ND2 3.1Å; N97-N161 PolarHBondContact OD1-OD1 3.01Å; N99-N161 PolarHBondContact O-N 3.43Å; S159-N161 VanDerWaalsContact C-N 3.32Å; N161-S163 VanDerWaalsContact C-N 3.31Å; N161-S163 PolarHBondContact ND2-OG 3.02Å; N161-S163 VanDerWaalsContact ND2-OG 3.17Å; N161-S163 PolarHBondContact OD1-N 3.46Å; N161-S163 PolarHBondContact OD1-OG 3.49Å; N161-T164 HydrophobicContact CB-CG2 4.09Å; N161-T164 PolarHBondContact O-OG1 3.27Å | ||
| 162 | L | 92.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -24.5 | 177.4 | -70.4 | 176.9 | 0 | 0 | 0 | 112.7 | P88 L89 P90 L102 I105 L165 | P88-L162 HydrophobicContact CB-CD1 4.31Å; P88-L162 HydrophobicContact CG-CD1 4.44Å; P88-L162 WeakPolarHBondContact O-CD1 3.48Å; L89-L162 HydrophobicContact CD2-CD1 4.11Å; P90-L162 HydrophobicContact CG-CB 3.88Å; L102-L162 HydrophobicContact CB-CD2 4.33Å; L102-L162 HydrophobicContact CD1-CD2 4.14Å; I105-L162 HydrophobicContact CD1-CD1 3.52Å; L162-L165 HydrophobicContact CD2-CD1 3.86Å; L162-L165 WeakPolarHBondContact O-CB 3.34Å; L162-L165 PolarHBondContact O-N 2.81Å |
| 163 | S | 92.4 | Very high | 92.5 | Very high | 31 Ų | 31 | 46 Ų | 46 | 22% | 0.217 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -33.5 | 177.5 | 57.5 | 0 | 0 | 0 | 0 | 112.6 | N161 L165 I166 | N161-S163 VanDerWaalsContact C-N 3.31Å; N161-S163 PolarHBondContact ND2-OG 3.02Å; N161-S163 VanDerWaalsContact ND2-OG 3.17Å; N161-S163 PolarHBondContact OD1-N 3.46Å; N161-S163 PolarHBondContact OD1-OG 3.49Å; S163-L165 VanDerWaalsContact C-N 3.25Å; S163-L165 PolarHBondContact O-N 3.34Å; S163-I166 WeakPolarHBondContact O-CB 3.47Å; S163-I166 PolarHBondContact O-N 3.14Å; S163-I166 VanDerWaalsContact O-N 3.11Å |
| 164 | T | 92.6 | Very high | 92.6 | Very high | 24 Ų | 24 | 46.4 Ų | 46.4 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.4 | -22.4 | 176.4 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | S159 N161 I166 T167 T168 | S159-T164 VanDerWaalsContact OG-CB 3.31Å; S159-T164 WeakPolarHBondContact OG-CB 3.28Å; S159-T164 WeakPolarHBondContact OG-CG2 3.49Å; S159-T164 PolarHBondContact OG-OG1 3.38Å; N161-T164 HydrophobicContact CB-CG2 4.09Å; N161-T164 PolarHBondContact O-OG1 3.27Å; T164-I166 PolarHBondContact O-N 2.82Å; T164-T167 WeakPolarHBondContact CA-OG1 3.36Å; T164-T167 PolarHBondContact O-N 2.85Å; T164-T167 PolarHBondContact O-OG1 2.9Å; T164-T168 WeakPolarHBondContact O-CG2 3.46Å; T164-T168 PolarHBondContact O-N 3.39Å; T164-T168 PolarHBondContact O-OG1 3.23Å |
| 165 | L | 93.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -22.1 | 170.7 | -84 | 163.2 | 0 | 0 | 0 | 113.3 | L102 L154 L162 S163 T168 Q169 L174 I241 | L102-L165 HydrophobicContact CD1-CD1 4.47Å; L154-L165 HydrophobicContact CD2-CD1 4.39Å; L162-L165 HydrophobicContact CD2-CD1 3.86Å; L162-L165 WeakPolarHBondContact O-CB 3.34Å; L162-L165 PolarHBondContact O-N 2.81Å; S163-L165 VanDerWaalsContact C-N 3.25Å; S163-L165 PolarHBondContact O-N 3.34Å; L165-T168 WeakPolarHBondContact CA-OG1 3.44Å; L165-T168 PolarHBondContact O-OG1 3.25Å; L165-T168 VanDerWaalsContact O-OG1 3.05Å; L165-Q169 WeakPolarHBondContact O-CG 3.02Å; L165-Q169 PolarHBondContact O-NE2 2.89Å; L165-L174 HydrophobicContact CD2-CD2 4.46Å; L165-I241 HydrophobicContact CD1-CG1 4.24Å |
| 166 | I | 93.3 | Very high | 92.7 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.1 | -48.2 | 173.1 | -61.1 | 173.4 | 0 | 0 | 0 | 109.2 | P90 S163 T164 T168 Q169 Y255 | P90-I166 HydrophobicContact CB-CD1 3.82Å; P90-I166 HydrophobicContact CG-CD1 4.09Å; S163-I166 WeakPolarHBondContact O-CB 3.47Å; S163-I166 PolarHBondContact O-N 3.14Å; S163-I166 VanDerWaalsContact O-N 3.11Å; T164-I166 PolarHBondContact O-N 2.82Å; I166-T168 VanDerWaalsContact C-N 3.3Å; I166-T168 PolarHBondContact O-N 3.23Å; I166-Q169 PolarHBondContact O-N 3.35Å; I166-Y255 HydrophobicContact CD1-CE1 4.42Å; I166-Y255 HydrophobicContact CD1-CE2 3.91Å; I166-Y255 VanDerWaalsContact CD1-OH 3.25Å; I166-Y255 WeakPolarHBondContact CD1-OH 3.47Å; I166-Y255 HydrophobicContact CG1-CE2 4.12Å; I166-Y255 WeakPolarHBondContact CG1-OH 3.37Å; I166-Y255 HydrophobicContact CG2-CD2 4.49Å; I166-Y255 HydrophobicContact CG2-CE2 3.75Å |
| 167 | T | 91.8 | Very high | 92.7 | Very high | 79 Ų | 79 | 51.3 Ų | 51.3 | 49% | 0.485 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65 | -34.4 | -179.8 | 53 | 0 | 0 | 0 | 0 | 112.1 | T164 Q169 E170 | T164-T167 WeakPolarHBondContact CA-OG1 3.36Å; T164-T167 PolarHBondContact O-N 2.85Å; T164-T167 PolarHBondContact O-OG1 2.9Å; T167-Q169 PolarHBondContact O-N 3.31Å; T167-E170 WeakPolarHBondContact O-CG 3.29Å; T167-E170 PolarHBondContact O-N 3.42Å |
| 168 | T | 93 | Very high | 92.9 | Very high | 51 Ų | 51 | 51.1 Ų | 51.1 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.5 | -22.3 | 178.8 | 61.5 | 0 | 0 | 0 | 0 | 113 | T164 L165 I166 | T164-T168 WeakPolarHBondContact O-CG2 3.46Å; T164-T168 PolarHBondContact O-N 3.39Å; T164-T168 PolarHBondContact O-OG1 3.23Å; L165-T168 WeakPolarHBondContact CA-OG1 3.44Å; L165-T168 PolarHBondContact O-OG1 3.25Å; L165-T168 VanDerWaalsContact O-OG1 3.05Å; I166-T168 VanDerWaalsContact C-N 3.3Å; I166-T168 PolarHBondContact O-N 3.23Å |
| 169 | Q | 93.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 12.8 | -176.4 | -68.3 | 176.9 | 66 | 0 | 0 | 113.5 | L165 I166 T167 H171 L172 L174 T240 I241 F242 | L165-Q169 WeakPolarHBondContact O-CG 3.02Å; L165-Q169 PolarHBondContact O-NE2 2.89Å; I166-Q169 PolarHBondContact O-N 3.35Å; T167-Q169 PolarHBondContact O-N 3.31Å; Q169-H171 PolarHBondContact O-N 2.82Å; Q169-L172 WeakPolarHBondContact CA-O 3.18Å; Q169-L174 HydrophobicContact CG-CB 4.02Å; Q169-T240 PolarHBondContact NE2-O 3.4Å; Q169-I241 PolarHBondContact NE2-O 3.02Å; Q169-F242 VanDerWaalsContact OE1-C 3.3Å; Q169-F242 PolarHBondContact OE1-O 3.26Å |
| 170 | E | 90.8 | Very high | 93.2 | Very high | 87 Ų | 87 | 58.2 Ų | 58.2 | 41% | 0.407 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -61.9 | -41.6 | -179.9 | -76.8 | -179.1 | -173 | 0 | 0 | 112.8 | T167 | T167-E170 WeakPolarHBondContact O-CG 3.29Å; T167-E170 PolarHBondContact O-N 3.42Å |
| 171 | H | 89.8 | Confident | 93.3 | Very high | 176 Ų | 176 | 55 Ų | 55 | 82% | 0.815 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -90.2 | -43.3 | -176.9 | -62.6 | -46.2 | 0 | 0 | 0 | 113.3 | Q169 | Q169-H171 PolarHBondContact O-N 2.82Š|
| 172 | L | 93.2 | Very high | 93.4 | Very high | 119 Ų | 119 | 54.7 Ų | 54.7 | 62% | 0.623 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -140.8 | 139.3 | -177.1 | -71.7 | 171.8 | 0 | 0 | 0 | 109.3 | Q169 L176 | Q169-L172 WeakPolarHBondContact CA-O 3.18Å; L172-L176 HydrophobicContact CD2-CD1 4.25Å |
| 173 | W | 94.7 | Very high | 93.5 | Very high | 125 Ų | 125 | 59.9 Ų | 59.9 | 47% | 0.473 | 30% | 0.3 | S | S | . | . | trans | -64.5 | 137.6 | 171.7 | -62.4 | -24.2 | 0 | 0 | 0 | 110.7 | L175 L176 P177 L243 G244 | W173-L175 PolarHBondContact O-N 2.93Å; W173-L175 VanDerWaalsContact O-N 3.14Å; W173-L176 PolarHBondContact O-N 3.49Å; W173-L176 VanDerWaalsContact O-N 3.12Å; W173-P177 VanDerWaalsContact O-CD 3.25Å; W173-P177 WeakPolarHBondContact O-CD 3.4Å; W173-L243 HydrophobicContact CD2-CD2 4.28Å; W173-L243 HydrophobicContact CE3-CD2 4.02Å; W173-G244 PolarHBondContact NE1-O 3Å | ||
| 174 | L | 94.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 58.8 Ų | 58.8 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.3 | 179.4 | -159.2 | 71.4 | 0 | 0 | 0 | 111.8 | T153 M156 L165 Q169 L176 P177 S178 I241 F242 | T153-L174 HydrophobicContact CG2-CD2 4.42Å; M156-L174 HydrophobicContact CB-CD1 3.89Å; M156-L174 HydrophobicContact CE-CD1 3.82Å; M156-L174 HydrophobicContact CG-CD1 4.38Å; M156-L174 HydrophobicContact SD-CD1 3.68Å; L165-L174 HydrophobicContact CD2-CD2 4.46Å; Q169-L174 HydrophobicContact CG-CB 4.02Å; L174-L176 PolarHBondContact O-N 3.41Å; L174-P177 HydrophobicContact CD1-CG 4.39Å; L174-P177 VanDerWaalsContact O-CD 3.24Å; L174-P177 WeakPolarHBondContact O-CD 3.31Å; L174-P177 WeakPolarHBondContact O-CG 3.15Å; L174-S178 WeakPolarHBondContact O-CB 3.47Å; L174-S178 PolarHBondContact O-N 3.39Å; L174-S178 VanDerWaalsContact O-N 3.08Å; L174-S178 PolarHBondContact O-OG 2.92Å; L174-I241 WeakPolarHBondContact CB-O 3.31Å; L174-I241 HydrophobicContact CD2-CG2 4.32Å; L174-I241 VanDerWaalsContact CD2-O 3.23Å; L174-I241 WeakPolarHBondContact CD2-O 3.42Å; L174-F242 PolarHBondContact N-O 3.33Å |
| 175 | L | 94.6 | Very high | 93.9 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -35.2 | 173.2 | -172.3 | 133.9 | 0 | 0 | 0 | 113.4 | W173 S178 W179 A182 F242 L243 | W173-L175 PolarHBondContact O-N 2.93Å; W173-L175 VanDerWaalsContact O-N 3.14Å; L175-S178 CarbonylContact O-C 3.56Å; L175-W179 WeakPolarHBondContact O-CA 3.38Å; L175-W179 VanDerWaalsContact O-CB 3.26Å; L175-W179 WeakPolarHBondContact O-CB 3.45Å; L175-W179 PolarHBondContact O-N 3.46Å; L175-A182 HydrophobicContact CD1-CB 4.27Å; L175-A182 HydrophobicContact CG-CB 4.29Å; L175-F242 HydrophobicContact CB-CB 4.12Å; L175-F242 WeakPolarHBondContact CB-O 3.28Å; L175-F242 HydrophobicContact CD1-CB 4.43Å; L175-F242 PolarHBondContact N-O 3.11Å; L175-L243 HydrophobicContact CB-CD2 4.15Å; L175-L243 HydrophobicContact CD1-CD2 3.96Å; L175-L243 HydrophobicContact CD1-CG 4.25Å |
| 176 | L | 93.3 | Very high | 94 | Very high | 104 Ų | 104 | 59.2 Ų | 59.2 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -55.7 | -176.8 | -69.1 | 172.1 | 0 | 0 | 0 | 113 | L172 W173 L174 S178 | L172-L176 HydrophobicContact CD2-CD1 4.25Å; W173-L176 PolarHBondContact O-N 3.49Å; W173-L176 VanDerWaalsContact O-N 3.12Å; L174-L176 PolarHBondContact O-N 3.41Å; L176-S178 VanDerWaalsContact C-N 3.27Å; L176-S178 PolarHBondContact O-N 2.94Å |
| 177 | P | 92.3 | Very high | 94 | Very high | 54 Ų | 54 | 60.5 Ų | 60.5 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -30.8 | 176.9 | 26.8 | -34.6 | 0 | 0 | 0 | 112.1 | M156 W173 L174 Y304 | M156-P177 HydrophobicContact CE-CB 3.8Å; M156-P177 HydrophobicContact CE-CG 3.63Å; M156-P177 HydrophobicContact SD-CB 4.32Å; M156-P177 HydrophobicContact SD-CG 4.22Å; W173-P177 VanDerWaalsContact O-CD 3.25Å; W173-P177 WeakPolarHBondContact O-CD 3.4Å; L174-P177 HydrophobicContact CD1-CG 4.39Å; L174-P177 VanDerWaalsContact O-CD 3.24Å; L174-P177 WeakPolarHBondContact O-CD 3.31Å; L174-P177 WeakPolarHBondContact O-CG 3.15Å; P177-Y304 PolarHBondContact O-OH 3.11Å |
| 178 | S | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 27.8 | -173.3 | 74.2 | 0 | 0 | 0 | 0 | 115.6 | L174 L175 L176 P180 L181 A182 F242 Y304 | L174-S178 WeakPolarHBondContact O-CB 3.47Å; L174-S178 PolarHBondContact O-N 3.39Å; L174-S178 VanDerWaalsContact O-N 3.08Å; L174-S178 PolarHBondContact O-OG 2.92Å; L175-S178 CarbonylContact O-C 3.56Å; L176-S178 VanDerWaalsContact C-N 3.27Å; L176-S178 PolarHBondContact O-N 2.94Å; S178-P180 VanDerWaalsContact C-N 3.34Å; S178-P180 VanDerWaalsContact O-N 3.15Å; S178-L181 WeakPolarHBondContact O-CA 3.44Å; S178-L181 WeakPolarHBondContact O-CB 3.32Å; S178-L181 PolarHBondContact O-N 3.49Å; S178-A182 PolarHBondContact O-N 3.27Å; S178-F242 VanDerWaalsContact OG-CE1 3.3Å; S178-F242 WeakPolarHBondContact OG-CE1 3.41Å; S178-Y304 VanDerWaalsContact CA-OH 3.26Å; S178-Y304 WeakPolarHBondContact CA-OH 3.49Å |
| 179 | W | 94.9 | Very high | 94.2 | Very high | 173 Ų | 173 | 54.3 Ų | 54.3 | 66% | 0.655 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -53.7 | -36.8 | -175.9 | 77.5 | -95.1 | 0 | 0 | 0 | 115.2 | L175 L181 A182 M183 | L175-W179 WeakPolarHBondContact O-CA 3.38Å; L175-W179 VanDerWaalsContact O-CB 3.26Å; L175-W179 WeakPolarHBondContact O-CB 3.45Å; L175-W179 PolarHBondContact O-N 3.46Å; W179-L181 VanDerWaalsContact C-N 3.34Å; W179-A182 PolarHBondContact O-N 3.28Å; W179-M183 PolarHBondContact O-N 3.08Å |
| 180 | P | 95.5 | Very high | 94.2 | Very high | 27 Ų | 27 | 54.4 Ų | 54.4 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.6 | -37.3 | 177.6 | -16.3 | 31.6 | 0 | 0 | 0 | 111.5 | S178 M184 L300 | S178-P180 VanDerWaalsContact C-N 3.34Å; S178-P180 VanDerWaalsContact O-N 3.15Å; P180-M184 WeakPolarHBondContact O-CG 3.29Å; P180-M184 PolarHBondContact O-N 3.33Å; P180-M184 VanDerWaalsContact O-N 3.12Å; P180-L300 HydrophobicContact CB-CD1 3.95Å |
| 181 | L | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.6 | -43.8 | 174.4 | -68.1 | 175.8 | 0 | 0 | 0 | 110.5 | I149 S152 T153 S178 W179 M183 M184 W185 L300 Y304 | I149-L181 HydrophobicContact CG1-CD2 4.24Å; I149-L181 HydrophobicContact CG2-CB 4.14Å; I149-L181 HydrophobicContact CG2-CD2 4.24Å; S152-L181 WeakPolarHBondContact OG-CD1 3.27Å; S152-L181 WeakPolarHBondContact OG-CD2 3.49Å; T153-L181 HydrophobicContact CG2-CB 4.44Å; T153-L181 HydrophobicContact CG2-CD1 4.03Å; S178-L181 WeakPolarHBondContact O-CA 3.44Å; S178-L181 WeakPolarHBondContact O-CB 3.32Å; S178-L181 PolarHBondContact O-N 3.49Å; W179-L181 VanDerWaalsContact C-N 3.34Å; L181-M183 VanDerWaalsContact C-N 3.31Å; L181-M183 PolarHBondContact O-N 3.1Å; L181-M184 HydrophobicContact CD2-CE 3.94Å; L181-M184 PolarHBondContact O-N 3.24Å; L181-W185 WeakPolarHBondContact O-CB 3.45Å; L181-W185 PolarHBondContact O-N 3.11Å; L181-L300 HydrophobicContact CD2-CB 3.95Å; L181-L300 HydrophobicContact CD2-CD1 3.74Å; L181-L300 HydrophobicContact CD2-CG 4.48Å; L181-L300 HydrophobicContact CG-CD1 4.14Å; L181-Y304 HydrophobicContact CD1-CD2 3.57Å; L181-Y304 HydrophobicContact CD1-CE1 4.47Å; L181-Y304 HydrophobicContact CD1-CE2 3.15Å; L181-Y304 HydrophobicContact CD1-CG 4.44Å; L181-Y304 HydrophobicContact CG-CD2 4.48Å; L181-Y304 HydrophobicContact CG-CE2 3.81Å |
| 182 | A | 95.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.4 | -41 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L175 S178 W179 W185 F186 F242 | L175-A182 HydrophobicContact CD1-CB 4.27Å; L175-A182 HydrophobicContact CG-CB 4.29Å; S178-A182 PolarHBondContact O-N 3.27Å; W179-A182 PolarHBondContact O-N 3.28Å; A182-W185 WeakPolarHBondContact O-CB 3.39Å; A182-F186 WeakPolarHBondContact O-CB 3.46Å; A182-F186 PolarHBondContact O-N 2.8Å; A182-F242 HydrophobicContact CB-CD1 3.54Å; A182-F242 HydrophobicContact CB-CD2 4.34Å; A182-F242 HydrophobicContact CB-CE1 3.6Å; A182-F242 HydrophobicContact CB-CE2 4.43Å; A182-F242 HydrophobicContact CB-CG 3.91Å; A182-F242 HydrophobicContact CB-CZ 4.06Å |
| 183 | M | 95.1 | Very high | 94.2 | Very high | 112 Ų | 112 | 37.5 Ų | 37.5 | 55% | 0.552 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -68.3 | -45.8 | 177.5 | -170.8 | 64.7 | -171.2 | 0 | 0 | 112 | W179 L181 W185 F186 I187 | W179-M183 PolarHBondContact O-N 3.08Å; L181-M183 VanDerWaalsContact C-N 3.31Å; L181-M183 PolarHBondContact O-N 3.1Å; M183-W185 VanDerWaalsContact C-N 3.32Å; M183-W185 PolarHBondContact O-N 3.13Å; M183-F186 PolarHBondContact O-N 3.24Å; M183-I187 HydrophobicContact CE-CD1 4.09Å; M183-I187 HydrophobicContact CE-CG1 4.45Å; M183-I187 HydrophobicContact CG-CD1 4.49Å; M183-I187 WeakPolarHBondContact O-CG1 3.06Å; M183-I187 PolarHBondContact O-N 3.19Å; M183-I187 VanDerWaalsContact O-N 3.13Å |
| 184 | M | 96.1 | Very high | 93.9 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 3% | 0.034 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 176.6 | -69.7 | -172.2 | -66.4 | 0 | 0 | 111.8 | I149 P180 L181 I187 S188 F293 L296 T297 L300 | I149-M184 HydrophobicContact CD1-CB 3.83Å; P180-M184 WeakPolarHBondContact O-CG 3.29Å; P180-M184 PolarHBondContact O-N 3.33Å; P180-M184 VanDerWaalsContact O-N 3.12Å; L181-M184 HydrophobicContact CD2-CE 3.94Å; L181-M184 PolarHBondContact O-N 3.24Å; M184-I187 PolarHBondContact O-N 3.08Å; M184-S188 PolarHBondContact O-N 2.98Å; M184-S188 PolarHBondContact O-OG 3.41Å; M184-F293 HydrophobicContact CG-CD1 4.18Å; M184-F293 HydrophobicContact CG-CE1 4.2Å; M184-F293 HydrophobicContact CG-CG 4.44Å; M184-F293 HydrophobicContact CG-CZ 4.48Å; M184-F293 HydrophobicContact SD-CB 4.47Å; M184-F293 HydrophobicContact SD-CD1 4.19Å; M184-F293 HydrophobicContact SD-CG 4.34Å; M184-L296 HydrophobicContact CE-CD2 4.19Å; M184-L296 HydrophobicContact CE-CG 4.15Å; M184-L296 HydrophobicContact SD-CB 4.19Å; M184-L296 HydrophobicContact SD-CD2 3.63Å; M184-L296 HydrophobicContact SD-CG 3.97Å; M184-T297 HydrophobicContact CE-CG2 3.55Å; M184-T297 HydrophobicContact SD-CG2 3.71Å; M184-L300 HydrophobicContact CE-CD1 3.39Å |
| 185 | W | 96.2 | Very high | 93.5 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | 174.4 | 172 | -95.3 | 0 | 0 | 0 | 112.1 | L146 I149 L150 L181 A182 M183 I187 S188 T189 L237 I241 F242 | L146-W185 HydrophobicContact CD1-CE3 3.99Å; L146-W185 HydrophobicContact CD1-CH2 3.48Å; L146-W185 VanDerWaalsContact CD1-CH2 3.48Å; L146-W185 HydrophobicContact CD1-CZ2 4.33Å; L146-W185 HydrophobicContact CD1-CZ3 3.28Å; L146-W185 HydrophobicContact CD2-CH2 4.47Å; L146-W185 HydrophobicContact CD2-CZ3 4.46Å; L146-W185 HydrophobicContact CG-CE3 4.44Å; L146-W185 HydrophobicContact CG-CH2 3.92Å; L146-W185 HydrophobicContact CG-CZ3 3.52Å; I149-W185 HydrophobicContact CB-CE3 4.38Å; I149-W185 HydrophobicContact CG2-CB 3.98Å; I149-W185 HydrophobicContact CG2-CE3 3.93Å; L150-W185 HydrophobicContact CD1-CH2 3.88Å; L150-W185 HydrophobicContact CD1-CZ3 3.6Å; L150-W185 HydrophobicContact CD2-CE3 4.26Å; L150-W185 HydrophobicContact CD2-CH2 3.69Å; L150-W185 HydrophobicContact CD2-CZ3 3.5Å; L150-W185 HydrophobicContact CG-CE3 4.19Å; L150-W185 HydrophobicContact CG-CH2 3.93Å; L150-W185 HydrophobicContact CG-CZ3 3.36Å; L181-W185 WeakPolarHBondContact O-CB 3.45Å; L181-W185 PolarHBondContact O-N 3.11Å; A182-W185 WeakPolarHBondContact O-CB 3.39Å; M183-W185 VanDerWaalsContact C-N 3.32Å; M183-W185 PolarHBondContact O-N 3.13Å; W185-I187 VanDerWaalsContact C-N 3.3Å; W185-I187 PolarHBondContact O-N 3.26Å; W185-S188 WeakPolarHBondContact CA-OG 3.25Å; W185-S188 PolarHBondContact O-N 3.02Å; W185-S188 PolarHBondContact O-OG 3.18Å; W185-T189 HydrophobicContact CD2-CG2 4.17Å; W185-T189 VanDerWaalsContact CE2-CG2 3.47Å; W185-T189 HydrophobicContact CH2-CG2 4.13Å; W185-T189 HydrophobicContact CZ2-CG2 3.39Å; W185-T189 WeakPolarHBondContact O-CG2 3.41Å; W185-T189 PolarHBondContact O-N 3.42Å; W185-T189 PolarHBondContact O-OG1 3.39Å; W185-L237 HydrophobicContact CH2-CD2 3.51Å; W185-L237 HydrophobicContact CZ2-CD2 3.09Å; W185-I241 HydrophobicContact CH2-CD1 4.46Å; W185-I241 HydrophobicContact CZ2-CD1 4.29Å; W185-F242 HydrophobicContact CB-CE2 3.78Å; W185-F242 HydrophobicContact CB-CZ 3.99Å; W185-F242 AromaticContact CD1-CD2 3.89Å; W185-F242 AromaticContact CD1-CE2 3.36Å; W185-F242 HydrophobicContact CD2-CE2 4.01Å; W185-F242 HydrophobicContact CG-CD2 4.34Å; W185-F242 AromaticContact CG-CE2 3.39Å; W185-F242 HydrophobicContact CG-CE2 3.39Å; W185-F242 HydrophobicContact CG-CZ 4.05Å; W185-F242 AromaticContact NE1-CE2 3.92Å |
| 186 | F | 95.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 30.5 Ų | 30.5 | 13% | 0.132 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.3 | -37.1 | 179.7 | -174.7 | -97 | 0 | 0 | 0 | 111.5 | A182 M183 T189 L190 L266 L269 F270 I273 | A182-F186 WeakPolarHBondContact O-CB 3.46Å; A182-F186 PolarHBondContact O-N 2.8Å; M183-F186 PolarHBondContact O-N 3.24Å; F186-T189 WeakPolarHBondContact CA-OG1 3.49Å; F186-T189 PolarHBondContact O-OG1 3.31Å; F186-L190 HydrophobicContact CD1-CD1 4.08Å; F186-L190 HydrophobicContact CE1-CD1 3.82Å; F186-L190 WeakPolarHBondContact O-CG 3.19Å; F186-L190 PolarHBondContact O-N 2.64Å; F186-L266 HydrophobicContact CE2-CD2 4.23Å; F186-L269 HydrophobicContact CZ-CB 4.21Å; F186-F270 AromaticContact CD2-CE1 3.93Å; F186-F270 HydrophobicContact CD2-CE1 3.93Å; F186-F270 HydrophobicContact CE1-CD1 4.47Å; F186-F270 HydrophobicContact CE1-CE1 4.35Å; F186-F270 AromaticContact CE2-CD1 3.62Å; F186-F270 HydrophobicContact CE2-CD1 3.62Å; F186-F270 AromaticContact CE2-CE1 3.32Å; F186-F270 HydrophobicContact CE2-CE1 3.32Å; F186-F270 AromaticContact CZ-CD1 3.52Å; F186-F270 HydrophobicContact CZ-CD1 3.52Å; F186-F270 AromaticContact CZ-CE1 3.57Å; F186-F270 HydrophobicContact CZ-CE1 3.57Å; F186-I273 HydrophobicContact CE1-CD1 3.39Å; F186-I273 HydrophobicContact CZ-CD1 3.87Å |
| 187 | I | 94.5 | Very high | 92.5 | Very high | 36 Ų | 36 | 25.9 Ų | 25.9 | 19% | 0.185 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.3 | -39.9 | 173.7 | -61.7 | 170 | 0 | 0 | 0 | 111.3 | M183 M184 W185 L190 A191 F198 L288 F293 | M183-I187 HydrophobicContact CE-CD1 4.09Å; M183-I187 HydrophobicContact CE-CG1 4.45Å; M183-I187 HydrophobicContact CG-CD1 4.49Å; M183-I187 WeakPolarHBondContact O-CG1 3.06Å; M183-I187 PolarHBondContact O-N 3.19Å; M183-I187 VanDerWaalsContact O-N 3.13Å; M184-I187 PolarHBondContact O-N 3.08Å; W185-I187 VanDerWaalsContact C-N 3.3Å; W185-I187 PolarHBondContact O-N 3.26Å; I187-L190 WeakPolarHBondContact O-CB 3.47Å; I187-L190 PolarHBondContact O-N 3.05Å; I187-A191 PolarHBondContact O-N 2.96Å; I187-A191 VanDerWaalsContact O-N 3.08Å; I187-F198 HydrophobicContact CG2-CE2 3.65Å; I187-F198 HydrophobicContact CG2-CZ 3.7Å; I187-L288 HydrophobicContact CG2-CD2 4.33Å; I187-F293 HydrophobicContact CB-CE2 3.87Å; I187-F293 HydrophobicContact CB-CZ 3.89Å; I187-F293 HydrophobicContact CD1-CZ 3.73Å; I187-F293 HydrophobicContact CG1-CZ 4.42Å; I187-F293 HydrophobicContact CG2-CE2 3.64Å; I187-F293 HydrophobicContact CG2-CZ 3.69Å |
| 188 | S | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.8 | -36.3 | 177.9 | 62.2 | 0 | 0 | 0 | 0 | 112.3 | M184 W185 A191 E192 | M184-S188 PolarHBondContact O-N 2.98Å; M184-S188 PolarHBondContact O-OG 3.41Å; W185-S188 WeakPolarHBondContact CA-OG 3.25Å; W185-S188 PolarHBondContact O-N 3.02Å; W185-S188 PolarHBondContact O-OG 3.18Å; S188-A191 CarbonylContact O-C 3.6Å; S188-A191 WeakPolarHBondContact O-CB 3.35Å; S188-A191 PolarHBondContact O-N 3.46Å; S188-E192 WeakPolarHBondContact O-CB 3.47Å; S188-E192 PolarHBondContact O-N 2.86Å |
| 189 | T | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.5 | -31.7 | 175.3 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | L146 W185 F186 A191 E192 T193 M234 T238 | L146-T189 HydrophobicContact CD1-CG2 4.36Å; W185-T189 HydrophobicContact CD2-CG2 4.17Å; W185-T189 VanDerWaalsContact CE2-CG2 3.47Å; W185-T189 HydrophobicContact CH2-CG2 4.13Å; W185-T189 HydrophobicContact CZ2-CG2 3.39Å; W185-T189 WeakPolarHBondContact O-CG2 3.41Å; W185-T189 PolarHBondContact O-N 3.42Å; W185-T189 PolarHBondContact O-OG1 3.39Å; F186-T189 WeakPolarHBondContact CA-OG1 3.49Å; F186-T189 PolarHBondContact O-OG1 3.31Å; T189-A191 VanDerWaalsContact C-N 3.34Å; T189-E192 PolarHBondContact O-N 3.33Å; T189-T193 PolarHBondContact O-N 2.92Å; T189-T193 VanDerWaalsContact O-N 3.1Å; T189-T193 PolarHBondContact O-OG1 2.82Å; T189-M234 HydrophobicContact CG2-CB 4.45Å; T189-M234 HydrophobicContact CG2-SD 4.49Å; T189-T238 HydrophobicContact CG2-CG2 4.11Å |
| 190 | L | 92.9 | Very high | 91.1 | Very high | 6 Ų | 6 | 16.2 Ų | 16.2 | 3% | 0.031 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 167.7 | -79.4 | 163.9 | 0 | 0 | 0 | 111.5 | F186 I187 T193 R195 F198 F270 I273 | F186-L190 HydrophobicContact CD1-CD1 4.08Å; F186-L190 HydrophobicContact CE1-CD1 3.82Å; F186-L190 WeakPolarHBondContact O-CG 3.19Å; F186-L190 PolarHBondContact O-N 2.64Å; I187-L190 WeakPolarHBondContact O-CB 3.47Å; I187-L190 PolarHBondContact O-N 3.05Å; L190-T193 PolarHBondContact O-OG1 3.26Å; L190-R195 PolarHBondContact O-N 3.18Å; L190-F198 HydrophobicContact CB-CD2 4.07Å; L190-F198 HydrophobicContact CB-CE2 4.25Å; L190-F270 HydrophobicContact CD2-CB 4.49Å; L190-F270 HydrophobicContact CD2-CD1 3.81Å; L190-F270 HydrophobicContact CD2-CD2 3.73Å; L190-F270 HydrophobicContact CD2-CE1 3.84Å; L190-F270 HydrophobicContact CD2-CE2 3.79Å; L190-F270 HydrophobicContact CD2-CG 3.74Å; L190-F270 HydrophobicContact CD2-CZ 3.83Å; L190-F270 HydrophobicContact CG-CD1 4.27Å; L190-F270 HydrophobicContact CG-CE1 3.84Å; L190-F270 HydrophobicContact CG-CE2 4.25Å; L190-F270 HydrophobicContact CG-CZ 3.84Å; L190-I273 HydrophobicContact CD1-CD1 3.98Å; L190-I273 HydrophobicContact CD1-CG2 4.19Å |
| 191 | A | 91.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 15 Ų | 15 | 2% | 0.017 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.2 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | Q138 Y142 I187 S188 T189 N194 F198 | Q138-A191 PolarHBondContact NE2-O 3.12Å; Y142-A191 HydrophobicContact CD1-CB 3.89Å; Y142-A191 VanDerWaalsContact CE1-O 3.31Å; Y142-A191 WeakPolarHBondContact CE1-O 3.35Å; Y142-A191 HydrophobicContact CG-CB 4.39Å; I187-A191 PolarHBondContact O-N 2.96Å; I187-A191 VanDerWaalsContact O-N 3.08Å; S188-A191 CarbonylContact O-C 3.6Å; S188-A191 WeakPolarHBondContact O-CB 3.35Å; S188-A191 PolarHBondContact O-N 3.46Å; T189-A191 VanDerWaalsContact C-N 3.34Å; A191-N194 PolarHBondContact O-N 3.16Å; A191-F198 HydrophobicContact CB-CB 4.28Å; A191-F198 HydrophobicContact CB-CD2 3.91Å; A191-F198 HydrophobicContact CB-CG 4.17Å |
| 192 | E | 91.6 | Very high | 89.2 | Confident | 19 Ų | 19 | 16.4 Ų | 16.4 | 9% | 0.089 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.8 | -34.1 | 179.7 | -176.4 | 169.3 | -167.3 | 0 | 0 | 114.1 | S109 Y142 L146 S188 T189 N194 M234 | S109-E192 VanDerWaalsContact CB-OE1 3.24Å; S109-E192 WeakPolarHBondContact CB-OE1 3.4Å; S109-E192 PolarHBondContact OG-OE1 3Å; Y142-E192 HydrophobicContact CD2-CB 3.9Å; Y142-E192 HydrophobicContact CD2-CG 4.22Å; Y142-E192 HydrophobicContact CE1-CB 4.43Å; Y142-E192 HydrophobicContact CE2-CB 3.54Å; Y142-E192 HydrophobicContact CE2-CG 3.5Å; Y142-E192 VanDerWaalsContact CE2-CG 3.5Å; Y142-E192 PolarHBondContact OH-O 3.03Å; L146-E192 WeakPolarHBondContact CD1-OE2 3.43Å; S188-E192 WeakPolarHBondContact O-CB 3.47Å; S188-E192 PolarHBondContact O-N 2.86Å; T189-E192 PolarHBondContact O-N 3.33Å; E192-N194 PolarHBondContact O-N 2.66Å; E192-M234 HydrophobicContact CG-CE 3.81Å; E192-M234 WeakPolarHBondContact OE1-CE 3.44Å; E192-M234 VanDerWaalsContact OE2-CE 3.29Å; E192-M234 WeakPolarHBondContact OE2-CE 3.38Å |
| 193 | T | 90.2 | Very high | 88.1 | Confident | 5 Ų | 5 | 16 Ų | 16 | 3% | 0.031 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 6 | 176.8 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | T189 L190 R195 I231 M234 | T189-T193 PolarHBondContact O-N 2.92Å; T189-T193 VanDerWaalsContact O-N 3.1Å; T189-T193 PolarHBondContact O-OG1 2.82Å; L190-T193 PolarHBondContact O-OG1 3.26Å; T193-R195 WeakPolarHBondContact O-CG 2.89Å; T193-R195 PolarHBondContact O-N 2.96Å; T193-R195 WeakPolarHBondContact OG1-CG 3.03Å; T193-I231 HydrophobicContact CG2-CG1 4.21Å; T193-M234 HydrophobicContact CG2-CB 4.17Å; T193-M234 HydrophobicContact CG2-CG 3.77Å |
| 194 | N | 87.5 | Confident | 86.7 | Confident | 19 Ų | 19 | 16.2 Ų | 16.2 | 10% | 0.102 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 33.6 | -176.6 | -61.8 | -45.6 | 0 | 0 | 0 | 113.5 | Q138 A191 E192 D199 A201 | Q138-N194 PolarHBondContact NE2-OD1 3.34Å; A191-N194 PolarHBondContact O-N 3.16Å; E192-N194 PolarHBondContact O-N 2.66Å; N194-D199 WeakPolarHBondContact O-CA 3.36Å; N194-D199 WeakPolarHBondContact O-CB 3.03Å; N194-A201 HydrophobicContact CB-CB 4.48Å |
| 195 | R | 86.2 | Confident | 85.3 | Confident | 19 Ų | 19 | 20.4 Ų | 20.4 | 7% | 0.072 | 11% | 0.111 | C | C | . | . | trans | -95.2 | 147.9 | -177 | -62.7 | -60.4 | -74.1 | -172.4 | -11.3 | 112.1 | E24 L190 T193 F198 D199 E227 I231 R274 | E24-R195 IonicContact OE1-NH2 2.62Å; E24-R195 PolarHBondContact OE1-NH2 3.4Å; E24-R195 VanDerWaalsContact OE1-NH2 3.1Å; E24-R195 IonicContact OE2-CZ 3.15Å; E24-R195 IonicContact OE2-NH2 2.72Å; E24-R195 PolarHBondContact OE2-NH2 2.68Å; L190-R195 PolarHBondContact O-N 3.18Å; T193-R195 WeakPolarHBondContact O-CG 2.89Å; T193-R195 PolarHBondContact O-N 2.96Å; T193-R195 WeakPolarHBondContact OG1-CG 3.03Å; R195-F198 CarbonylContact O-C 3.57Å; R195-F198 WeakPolarHBondContact O-CA 3.16Å; R195-F198 PolarHBondContact O-N 3.47Å; R195-D199 PolarHBondContact O-N 2.77Å; R195-E227 WeakPolarHBondContact CD-OE1 3.4Å; R195-E227 IonicContact CZ-OE1 2.79Å; R195-E227 IonicContact NE-OE1 3.1Å; R195-E227 IonicContact NH1-OE1 3.83Å; R195-E227 PolarHBondContact NH1-OE1 2.91Å; R195-I231 HydrophobicContact CG-CD1 3.93Å; R195-I231 HydrophobicContact CG-CG1 4.11Å; R195-R274 VanDerWaalsContact NH1-NH1 3.17Å | ||
| 196 | X | 83.5 | Confident | 83.8 | Confident | 10 Ų | 10 | 24.8 Ų | 24.8 | 8% | 0.083 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 129.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D199 R274 | A196-D199 HydrophobicContact CB-CB 4.38Å; A196-R274 HydrophobicContact CB-CB 4.3Å; A196-R274 HydrophobicContact CB-CG 3.98Å |
| 197 | P | 83.9 | Confident | 82.6 | Confident | 7 Ų | 7 | 23.7 Ų | 23.7 | 5% | 0.045 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88.6 | 3.2 | 19.1 | 37.3 | -39.6 | 0 | 0 | 0 | 116.2 | P278 R279 F280 | P197-P278 WeakPolarHBondContact CB-O 3.33Å; P197-R279 WeakPolarHBondContact O-CA 3.27Å; P197-F280 HydrophobicContact CB-CD2 3.64Å; P197-F280 HydrophobicContact CB-CE2 3.92Å; P197-F280 HydrophobicContact CG-CD2 3.79Å; P197-F280 HydrophobicContact CG-CE2 3.75Å; P197-F280 PolarHBondContact O-N 3.09Å |
| 198 | F | 89.1 | Confident | 81.8 | Confident | 8 Ų | 8 | 27.2 Ų | 27.2 | 4% | 0.035 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -104.5 | 27.7 | -177.7 | -50.1 | -57.8 | 0 | 0 | 0 | 113.8 | Q138 I187 L190 A191 R195 L200 F280 L285 L288 | Q138-F198 PolarHBondContact NE2-O 2.96Å; Q138-F198 PolarHBondContact OE1-O 3.44Å; I187-F198 HydrophobicContact CG2-CE2 3.65Å; I187-F198 HydrophobicContact CG2-CZ 3.7Å; L190-F198 HydrophobicContact CB-CD2 4.07Å; L190-F198 HydrophobicContact CB-CE2 4.25Å; A191-F198 HydrophobicContact CB-CB 4.28Å; A191-F198 HydrophobicContact CB-CD2 3.91Å; A191-F198 HydrophobicContact CB-CG 4.17Å; R195-F198 CarbonylContact O-C 3.57Å; R195-F198 WeakPolarHBondContact O-CA 3.16Å; R195-F198 PolarHBondContact O-N 3.47Å; F198-L200 VanDerWaalsContact C-N 3.27Å; F198-L200 PolarHBondContact O-N 3.2Å; F198-F280 HydrophobicContact CD1-CB 4.33Å; F198-F280 AromaticContact CD1-CD2 3.71Å; F198-F280 HydrophobicContact CD1-CD2 3.71Å; F198-F280 HydrophobicContact CD1-CE2 4.48Å; F198-F280 HydrophobicContact CD1-CG 4.31Å; F198-F280 AromaticContact CE1-CD2 3.32Å; F198-F280 HydrophobicContact CE1-CD2 3.32Å; F198-F280 AromaticContact CE1-CE2 3.7Å; F198-F280 HydrophobicContact CE1-CE2 3.7Å; F198-F280 HydrophobicContact CE1-CG 4.03Å; F198-F280 HydrophobicContact CZ-CD2 4.16Å; F198-F280 HydrophobicContact CZ-CE2 4.13Å; F198-L285 HydrophobicContact CB-CD1 3.86Å; F198-L285 HydrophobicContact CD1-CD1 3.6Å; F198-L285 HydrophobicContact CD1-CG 4.32Å; F198-L285 HydrophobicContact CE1-CD1 4.4Å; F198-L285 HydrophobicContact CG-CD1 3.95Å; F198-L288 HydrophobicContact CE1-CD2 4.1Å; F198-L288 HydrophobicContact CZ-CD2 3.98Å |
| 199 | D | 85.6 | Confident | 80.9 | Confident | 12 Ų | 12 | 28.4 Ų | 28.4 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | trans | -80.6 | 72.9 | 174.9 | 173.9 | 21.5 | 0 | 0 | 0 | 110.5 | N194 R195 X196 E202 R279 | N194-D199 WeakPolarHBondContact O-CA 3.36Å; N194-D199 WeakPolarHBondContact O-CB 3.03Å; R195-D199 PolarHBondContact O-N 2.77Å; A196-D199 HydrophobicContact CB-CB 4.38Å; D199-E202 WeakPolarHBondContact OD1-CB 3.45Å; D199-E202 PolarHBondContact OD1-N 3.3Å; D199-R279 IonicContact OD2-CZ 3.29Å; D199-R279 IonicContact OD2-NE 2.99Å; D199-R279 IonicContact OD2-NH2 2.71Å; D199-R279 PolarHBondContact OD2-NH2 3.44Å | ||
| 200 | L | 78.9 | Confident | 80.4 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | trans | -94.4 | -23.7 | 179.9 | -61.5 | 172.8 | 0 | 0 | 0 | 112.7 | F198 F280 Y282 L285 | F198-L200 VanDerWaalsContact C-N 3.27Å; F198-L200 PolarHBondContact O-N 3.2Å; L200-F280 VanDerWaalsContact CD2-O 3.25Å; L200-F280 WeakPolarHBondContact CD2-O 3.41Å; L200-Y282 HydrophobicContact CD1-CD2 4Å; L200-L285 HydrophobicContact CD1-CB 4.25Å; L200-L285 HydrophobicContact CD1-CD1 3.81Å; L200-L285 HydrophobicContact CD1-CG 4.49Å | ||
| 201 | A | 73.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -75.2 | -36.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A135 N194 G210 F211 | A135-A201 HydrophobicContact CB-CB 3.72Å; N194-A201 HydrophobicContact CB-CB 4.48Å; A201-G210 VanDerWaalsContact O-CA 3.32Å; A201-G210 WeakPolarHBondContact O-CA 3.39Å; A201-F211 HydrophobicContact CB-CD1 4.07Å; A201-F211 HydrophobicContact CB-CE1 4.13Å |
| 202 | E | 76.2 | Confident | 79.7 | Confident | 29 Ų | 29 | 28.9 Ų | 28.9 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -105.4 | -10.3 | 179.1 | -178 | 165.2 | -135.2 | 0 | 0 | 112.7 | D199 E204 S209 N212 F224 | D199-E202 WeakPolarHBondContact OD1-CB 3.45Å; D199-E202 PolarHBondContact OD1-N 3.3Å; E202-E204 PolarHBondContact O-N 3.23Å; E202-S209 CarbonylContact O-C 2.85Å; E202-S209 WeakPolarHBondContact O-CA 3.47Å; E202-N212 PolarHBondContact OE1-ND2 3.02Å; E202-F224 WeakPolarHBondContact OE1-CZ 2.92Å |
| 203 | G | 73 | Confident | 79.5 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | trans | -15 | 86.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | S205 E206 L207 | G203-S205 PolarHBondContact O-N 2.82Å; G203-S205 VanDerWaalsContact O-N 3.09Å; G203-E206 PolarHBondContact O-N 3.45Å; G203-L207 PolarHBondContact O-N 3Å | ||
| 204 | E | 65.8 | Low | 79.3 | Confident | 116 Ų | 116 | 33.6 Ų | 33.6 | 54% | 0.542 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.2 | -32.7 | -169.6 | -61.9 | 161.7 | 140.4 | 0 | 0 | 113.1 | E202 V208 R279 | E202-E204 PolarHBondContact O-N 3.23Å; E204-V208 WeakPolarHBondContact CA-O 3.48Å; E204-V208 WeakPolarHBondContact O-CA 3.36Å; E204-V208 PolarHBondContact O-N 3.48Å; E204-R279 IonicContact OE2-CZ 3.54Å; E204-R279 IonicContact OE2-NH1 3.51Å; E204-R279 IonicContact OE2-NH2 3.77Å; E204-R279 PolarHBondContact OE2-NH2 2.99Å |
| 205 | S | 67.3 | Low | 79.4 | Confident | 96 Ų | 96 | 33.1 Ų | 33.1 | 67% | 0.671 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -75.4 | -24.1 | 179.8 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | G203 | G203-S205 PolarHBondContact O-N 2.82Å; G203-S205 VanDerWaalsContact O-N 3.09Å |
| 206 | E | 63.9 | Low | 79.4 | Confident | 97 Ų | 97 | 32.8 Ų | 32.8 | 45% | 0.453 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -108.4 | -35.7 | -174.5 | -63.6 | -173.7 | -162.1 | 0 | 0 | 112.5 | R134 G203 | R134-E206 IonicContact CZ-OE2 2.66Å; R134-E206 VanDerWaalsContact CZ-OE2 3.29Å; R134-E206 IonicContact NH1-OE2 2.78Å; R134-E206 PolarHBondContact NH1-OE2 3.35Å; R134-E206 IonicContact NH2-OE2 3.11Å; R134-E206 PolarHBondContact NH2-OE2 2.96Å; G203-E206 PolarHBondContact O-N 3.45Å |
| 207 | L | 69.9 | Low | 79.7 | Confident | 7 Ų | 7 | 32.5 Ų | 32.5 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -128.8 | 10.9 | -169.2 | -60.1 | 176.3 | 0 | 0 | 0 | 113.4 | Y127 I130 G203 S209 G210 I213 | Y127-L207 HydrophobicContact CD1-CD2 3.99Å; I130-L207 HydrophobicContact CB-CD2 4.34Å; I130-L207 HydrophobicContact CG2-CD2 3.93Å; G203-L207 PolarHBondContact O-N 3Å; L207-S209 PolarHBondContact O-N 3.39Å; L207-G210 PolarHBondContact O-N 3.1Å; L207-I213 WeakPolarHBondContact O-CD1 3.46Å |
| 208 | V | 78.6 | Confident | 80 | Confident | 110 Ų | 110 | 32.9 Ų | 32.9 | 67% | 0.667 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | -58.5 | -174.3 | -174.3 | 0 | 0 | 0 | 0 | 113 | E204 | E204-V208 WeakPolarHBondContact CA-O 3.48Å; E204-V208 WeakPolarHBondContact O-CA 3.36Å; E204-V208 PolarHBondContact O-N 3.48Å |
| 209 | S | 73.6 | Confident | 80.1 | Confident | 25 Ų | 25 | 34.1 Ų | 34.1 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -152.3 | 7.6 | 167.2 | 76.1 | 0 | 0 | 0 | 0 | 114 | E202 L207 F211 N212 I213 | E202-S209 CarbonylContact O-C 2.85Å; E202-S209 WeakPolarHBondContact O-CA 3.47Å; L207-S209 PolarHBondContact O-N 3.39Å; S209-F211 PolarHBondContact O-N 2.82Å; S209-N212 WeakPolarHBondContact CB-OD1 3.25Å; S209-N212 PolarHBondContact O-OD1 2.96Å; S209-N212 PolarHBondContact OG-OD1 2.85Å; S209-I213 WeakPolarHBondContact OG-CA 3.39Å; S209-I213 WeakPolarHBondContact OG-CG1 3.17Å; S209-I213 PolarHBondContact OG-N 3.33Å |
| 210 | G | 85.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | 67.7 | -123.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A128 A201 L207 N212 I213 | A128-G210 VanDerWaalsContact CA-O 3.23Å; A128-G210 WeakPolarHBondContact CA-O 3.34Å; A128-G210 WeakPolarHBondContact CB-O 3.25Å; A201-G210 VanDerWaalsContact O-CA 3.32Å; A201-G210 WeakPolarHBondContact O-CA 3.39Å; L207-G210 PolarHBondContact O-N 3.1Å; G210-N212 PolarHBondContact O-N 3.21Å; G210-I213 WeakPolarHBondContact O-CD1 3.43Å; G210-I213 WeakPolarHBondContact O-CG1 3.42Å |
| 211 | F | 82.6 | Confident | 80.9 | Confident | 15 Ų | 15 | 36.2 Ų | 36.2 | 7% | 0.066 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -68.3 | -18.8 | -171.4 | 69.6 | -92.2 | 0 | 0 | 0 | 114.3 | I116 S119 A132 A201 S209 F223 | I116-F211 HydrophobicContact CG2-CB 4Å; I116-F211 HydrophobicContact CG2-CD1 3.71Å; I116-F211 HydrophobicContact CG2-CD2 4.03Å; I116-F211 HydrophobicContact CG2-CE1 4.14Å; I116-F211 HydrophobicContact CG2-CE2 4.41Å; I116-F211 HydrophobicContact CG2-CG 3.64Å; I116-F211 HydrophobicContact CG2-CZ 4.47Å; S119-F211 VanDerWaalsContact OG-CD2 3.26Å; S119-F211 WeakPolarHBondContact OG-CD2 3.41Å; A132-F211 HydrophobicContact CB-CB 4.44Å; A201-F211 HydrophobicContact CB-CD1 4.07Å; A201-F211 HydrophobicContact CB-CE1 4.13Å; S209-F211 PolarHBondContact O-N 2.82Å; F211-F223 AromaticContact CE2-CD1 3.95Å; F211-F223 HydrophobicContact CE2-CD1 3.95Å; F211-F223 HydrophobicContact CE2-CE1 4.2Å; F211-F223 HydrophobicContact CE2-CG 4.15Å |
| 212 | N | 87.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.011 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -103 | 7.2 | -174.5 | 70.5 | 12.9 | 0 | 0 | 0 | 113.8 | E202 S209 G210 E214 Y215 | E202-N212 PolarHBondContact OE1-ND2 3.02Å; S209-N212 WeakPolarHBondContact CB-OD1 3.25Å; S209-N212 PolarHBondContact O-OD1 2.96Å; S209-N212 PolarHBondContact OG-OD1 2.85Å; G210-N212 PolarHBondContact O-N 3.21Å; N212-E214 VanDerWaalsContact C-N 3.28Å; N212-E214 PolarHBondContact O-N 3.08Å; N212-Y215 WeakPolarHBondContact O-CB 2.98Å; N212-Y215 PolarHBondContact O-N 3.44Å |
| 213 | I | 86.4 | Confident | 82.6 | Confident | 52 Ų | 52 | 37 Ų | 37 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -43.1 | -173.5 | -65.5 | 158.6 | 0 | 0 | 0 | 113.1 | Y127 L207 S209 G210 Y215 | Y127-I213 VanDerWaalsContact CB-CD1 3.48Å; L207-I213 WeakPolarHBondContact O-CD1 3.46Å; S209-I213 WeakPolarHBondContact OG-CA 3.39Å; S209-I213 WeakPolarHBondContact OG-CG1 3.17Å; S209-I213 PolarHBondContact OG-N 3.33Å; G210-I213 WeakPolarHBondContact O-CD1 3.43Å; G210-I213 WeakPolarHBondContact O-CG1 3.42Å; I213-Y215 VanDerWaalsContact C-N 3.31Å |
| 214 | E | 87.2 | Confident | 83.4 | Confident | 71 Ų | 71 | 38.7 Ų | 38.7 | 33% | 0.332 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -1.8 | -176.7 | -64.5 | -63.5 | 162.3 | 0 | 0 | 113 | P63 Y71 N212 | P63-E214 HydrophobicContact CG-CB 3.82Å; P63-E214 HydrophobicContact CG-CG 4.28Å; Y71-E214 HydrophobicContact CE2-CB 4.46Å; Y71-E214 PolarHBondContact OH-O 3.09Å; N212-E214 VanDerWaalsContact C-N 3.28Å; N212-E214 PolarHBondContact O-N 3.08Å |
| 215 | Y | 88.1 | Confident | 84.7 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | trans | -89.8 | 121.9 | 179.8 | -70.8 | -92.6 | 0 | 0 | 0 | 110.7 | Y71 P75 S119 N212 I213 P219 F223 | Y71-Y215 HydrophobicContact CD1-CE1 4.03Å; Y71-Y215 HydrophobicContact CD2-CD1 4.39Å; Y71-Y215 AromaticContact CD2-CE1 3.63Å; Y71-Y215 HydrophobicContact CD2-CE1 3.63Å; Y71-Y215 HydrophobicContact CD2-CE2 4.05Å; Y71-Y215 AromaticContact CD2-CZ 3.43Å; Y71-Y215 VanDerWaalsContact CD2-CZ 3.43Å; Y71-Y215 WeakPolarHBondContact CD2-OH 3.44Å; Y71-Y215 HydrophobicContact CE1-CD1 4.03Å; Y71-Y215 AromaticContact CE1-CE1 3.86Å; Y71-Y215 HydrophobicContact CE1-CE1 3.86Å; Y71-Y215 AromaticContact CE2-CD1 3.75Å; Y71-Y215 HydrophobicContact CE2-CD1 3.75Å; Y71-Y215 HydrophobicContact CE2-CD2 4.05Å; Y71-Y215 AromaticContact CE2-CE1 3.45Å; Y71-Y215 HydrophobicContact CE2-CE1 3.45Å; Y71-Y215 VanDerWaalsContact CE2-CE1 3.45Å; Y71-Y215 AromaticContact CE2-CE2 3.78Å; Y71-Y215 HydrophobicContact CE2-CE2 3.78Å; Y71-Y215 HydrophobicContact CE2-CG 4.06Å; Y71-Y215 AromaticContact CE2-CZ 3.47Å; Y71-Y215 VanDerWaalsContact CE2-CZ 3.47Å; Y71-Y215 AromaticContact CG-CE1 3.92Å; Y71-Y215 HydrophobicContact CG-CE1 3.92Å; Y71-Y215 AromaticContact CZ-CD1 3.54Å; Y71-Y215 AromaticContact CZ-CE1 3.57Å; Y71-Y215 WeakPolarHBondContact O-CE1 3.31Å; Y71-Y215 WeakPolarHBondContact OH-CA 3.2Å; P75-Y215 HydrophobicContact CG-CD1 4.05Å; P75-Y215 HydrophobicContact CG-CE1 3.62Å; S119-Y215 VanDerWaalsContact CA-OH 3.28Å; S119-Y215 WeakPolarHBondContact CA-OH 3.42Å; S119-Y215 WeakPolarHBondContact CB-OH 3.49Å; N212-Y215 WeakPolarHBondContact O-CB 2.98Å; N212-Y215 PolarHBondContact O-N 3.44Å; I213-Y215 VanDerWaalsContact C-N 3.31Å; Y215-P219 HydrophobicContact CD1-CB 3.71Å; Y215-P219 HydrophobicContact CE1-CB 4.41Å; Y215-F223 AromaticContact CD1-CE2 3.98Å; Y215-F223 HydrophobicContact CD1-CE2 3.98Å; Y215-F223 HydrophobicContact CD2-CE2 4.25Å; Y215-F223 AromaticContact CE1-CE2 3.92Å; Y215-F223 HydrophobicContact CE1-CE2 3.92Å; Y215-F223 HydrophobicContact CE2-CE2 4.2Å; Y215-F223 HydrophobicContact CG-CD2 4.46Å; Y215-F223 HydrophobicContact CG-CE2 4.14Å | ||
| 216 | A | 86.8 | Confident | 86 | Confident | 13 Ų | 13 | 30.3 Ų | 30.3 | 11% | 0.107 | 16% | 0.164 | C | C | . | . | trans | -113.6 | 158.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L61 G218 P219 | L61-A216 HydrophobicContact CB-CB 3.79Å; L61-A216 HydrophobicContact CD1-CB 3.88Å; L61-A216 HydrophobicContact CG-CB 4.07Å; A216-G218 PolarHBondContact O-N 2.66Å; A216-P219 VanDerWaalsContact O-CD 3.3Å; A216-P219 WeakPolarHBondContact O-CD 3.29Å | ||
| 217 | A | 89.1 | Confident | 87.4 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | 55.4 | -120.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114 | L55 K58 F220 A221 | L55-A217 CarbonylContact O-C 3.31Å; L55-A217 VanDerWaalsContact O-C 3.31Å; L55-A217 WeakPolarHBondContact O-CA 3.42Å; L55-A217 WeakPolarHBondContact O-CB 3.48Å; K58-A217 HydrophobicContact CB-CB 3.77Å; K58-A217 HydrophobicContact CD-CB 4.44Å; K58-A217 HydrophobicContact CG-CB 4.11Å; K58-A217 VanDerWaalsContact O-CB 3.3Å; K58-A217 WeakPolarHBondContact O-CB 3.38Å; A217-F220 WeakPolarHBondContact O-CB 3.14Å; A217-F220 PolarHBondContact O-N 2.99Å; A217-A221 PolarHBondContact O-N 3Å |
| 218 | G | 90 | Very high | 88.5 | Confident | 14 Ų | 14 | 27.8 Ų | 27.8 | 14% | 0.144 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.1 | -54.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L55 A216 F220 A221 L222 | L55-G218 PolarHBondContact O-N 2.87Å; A216-G218 PolarHBondContact O-N 2.66Å; G218-F220 VanDerWaalsContact C-N 3.26Å; G218-F220 PolarHBondContact O-N 3.38Å; G218-A221 WeakPolarHBondContact O-CA 3.35Å; G218-A221 VanDerWaalsContact O-CB 3.28Å; G218-A221 WeakPolarHBondContact O-CB 3.24Å; G218-A221 PolarHBondContact O-N 3.37Å; G218-L222 PolarHBondContact O-N 3.25Å; G218-L222 VanDerWaalsContact O-N 3.09Å |
| 219 | P | 91 | Very high | 89.3 | Confident | 35 Ų | 35 | 22.5 Ų | 22.5 | 23% | 0.227 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -53.7 | -39.2 | 175.5 | -32 | 36.9 | 0 | 0 | 0 | 114.2 | P75 Y215 A216 L222 | P75-P219 WeakPolarHBondContact CB-O 3.46Å; P75-P219 HydrophobicContact CG-CB 4.1Å; Y215-P219 HydrophobicContact CD1-CB 3.71Å; Y215-P219 HydrophobicContact CE1-CB 4.41Å; A216-P219 VanDerWaalsContact O-CD 3.3Å; A216-P219 WeakPolarHBondContact O-CD 3.29Å; P219-L222 PolarHBondContact O-N 3.48Å |
| 220 | F | 90.4 | Very high | 90.3 | Very high | 55 Ų | 55 | 22.8 Ų | 22.8 | 24% | 0.241 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 172 | 174.2 | -93 | 0 | 0 | 0 | 111.3 | L55 A217 G218 L222 F223 F224 | L55-F220 HydrophobicContact CD2-CD1 4.13Å; L55-F220 HydrophobicContact CD2-CE1 4.47Å; A217-F220 WeakPolarHBondContact O-CB 3.14Å; A217-F220 PolarHBondContact O-N 2.99Å; G218-F220 VanDerWaalsContact C-N 3.26Å; G218-F220 PolarHBondContact O-N 3.38Å; F220-L222 PolarHBondContact O-N 2.83Å; F220-F223 PolarHBondContact O-N 3.19Å; F220-F224 AromaticContact CD1-CD2 3.62Å; F220-F224 HydrophobicContact CD1-CD2 3.62Å; F220-F224 AromaticContact CD1-CE2 3.87Å; F220-F224 HydrophobicContact CD1-CE2 3.87Å; F220-F224 HydrophobicContact CD2-CD2 4.02Å; F220-F224 AromaticContact CD2-CE2 3.59Å; F220-F224 HydrophobicContact CD2-CE2 3.59Å; F220-F224 AromaticContact CE1-CD2 3.34Å; F220-F224 HydrophobicContact CE1-CD2 3.34Å; F220-F224 AromaticContact CE1-CE2 3.31Å; F220-F224 HydrophobicContact CE1-CE2 3.31Å; F220-F224 HydrophobicContact CE1-CG 4.18Å; F220-F224 AromaticContact CE1-CZ 3.99Å; F220-F224 HydrophobicContact CE1-CZ 3.99Å; F220-F224 AromaticContact CE2-CD2 3.81Å; F220-F224 HydrophobicContact CE2-CD2 3.81Å; F220-F224 AromaticContact CE2-CE2 3.02Å; F220-F224 HydrophobicContact CE2-CE2 3.02Å; F220-F224 AromaticContact CE2-CZ 3.72Å; F220-F224 HydrophobicContact CE2-CZ 3.72Å; F220-F224 AromaticContact CG-CD2 3.96Å; F220-F224 HydrophobicContact CG-CD2 3.96Å; F220-F224 HydrophobicContact CG-CE2 4Å; F220-F224 AromaticContact CZ-CD2 3.47Å; F220-F224 HydrophobicContact CZ-CD2 3.47Å; F220-F224 VanDerWaalsContact CZ-CD2 3.47Å; F220-F224 HydrophobicContact CZ-CE1 4.32Å; F220-F224 AromaticContact CZ-CE2 2.86Å; F220-F224 HydrophobicContact CZ-CE2 2.86Å; F220-F224 HydrophobicContact CZ-CG 4.45Å; F220-F224 AromaticContact CZ-CZ 3.33Å; F220-F224 HydrophobicContact CZ-CZ 3.33Å; F220-F224 WeakPolarHBondContact O-CD2 3.31Å; F220-F224 PolarHBondContact O-N 3.4Å |
| 221 | A | 92.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 23 Ų | 23 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.1 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L55 A217 G218 F223 F224 M225 | L55-A221 HydrophobicContact CB-CB 4.09Å; L55-A221 HydrophobicContact CD1-CB 3.85Å; A217-A221 PolarHBondContact O-N 3Å; G218-A221 WeakPolarHBondContact O-CA 3.35Å; G218-A221 VanDerWaalsContact O-CB 3.28Å; G218-A221 WeakPolarHBondContact O-CB 3.24Å; G218-A221 PolarHBondContact O-N 3.37Å; A221-F223 PolarHBondContact O-N 3.19Å; A221-F224 PolarHBondContact O-N 3.26Å; A221-M225 HydrophobicContact CB-CE 4.29Å; A221-M225 WeakPolarHBondContact O-CB 3.28Å; A221-M225 WeakPolarHBondContact O-CE 3.36Å; A221-M225 WeakPolarHBondContact O-CG 3.33Å; A221-M225 PolarHBondContact O-N 3.35Å |
| 222 | L | 93.3 | Very high | 91.4 | Very high | 36 Ų | 36 | 23.2 Ų | 23.2 | 19% | 0.188 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 177.5 | -67.5 | 170 | 0 | 0 | 0 | 112.8 | P75 T76 L79 G218 P219 F220 M225 A226 | P75-L222 HydrophobicContact CB-CB 3.72Å; P75-L222 HydrophobicContact CB-CD1 3.88Å; P75-L222 HydrophobicContact CB-CG 4.45Å; T76-L222 HydrophobicContact CG2-CD1 4.17Å; L79-L222 HydrophobicContact CB-CD2 4.43Å; L79-L222 HydrophobicContact CD2-CD2 3.6Å; G218-L222 PolarHBondContact O-N 3.25Å; G218-L222 VanDerWaalsContact O-N 3.09Å; P219-L222 PolarHBondContact O-N 3.48Å; F220-L222 PolarHBondContact O-N 2.83Å; L222-M225 HydrophobicContact CD2-CE 3.75Å; L222-M225 HydrophobicContact CG-CE 4.34Å; L222-A226 WeakPolarHBondContact O-CB 3.49Å; L222-A226 PolarHBondContact O-N 3.17Å |
| 223 | F | 92.5 | Very high | 91.8 | Very high | 12 Ų | 12 | 23.1 Ų | 23.1 | 5% | 0.053 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.9 | -44.8 | 174.6 | -77.5 | -62.4 | 0 | 0 | 0 | 112.3 | A74 P75 A78 S119 F211 Y215 F220 A221 M225 A226 E227 | A74-F223 HydrophobicContact CB-CZ 4.18Å; P75-F223 HydrophobicContact CB-CD2 4.07Å; P75-F223 HydrophobicContact CB-CE2 3.76Å; P75-F223 HydrophobicContact CB-CZ 3.99Å; P75-F223 HydrophobicContact CG-CD2 4.24Å; P75-F223 HydrophobicContact CG-CE2 3.55Å; P75-F223 HydrophobicContact CG-CZ 3.9Å; A78-F223 HydrophobicContact CB-CD1 3.8Å; A78-F223 HydrophobicContact CB-CE1 3.79Å; S119-F223 VanDerWaalsContact CB-CZ 3.48Å; F211-F223 AromaticContact CE2-CD1 3.95Å; F211-F223 HydrophobicContact CE2-CD1 3.95Å; F211-F223 HydrophobicContact CE2-CE1 4.2Å; F211-F223 HydrophobicContact CE2-CG 4.15Å; Y215-F223 AromaticContact CD1-CE2 3.98Å; Y215-F223 HydrophobicContact CD1-CE2 3.98Å; Y215-F223 HydrophobicContact CD2-CE2 4.25Å; Y215-F223 AromaticContact CE1-CE2 3.92Å; Y215-F223 HydrophobicContact CE1-CE2 3.92Å; Y215-F223 HydrophobicContact CE2-CE2 4.2Å; Y215-F223 HydrophobicContact CG-CD2 4.46Å; Y215-F223 HydrophobicContact CG-CE2 4.14Å; F220-F223 PolarHBondContact O-N 3.19Å; A221-F223 PolarHBondContact O-N 3.19Å; F223-M225 VanDerWaalsContact C-N 3.35Å; F223-M225 PolarHBondContact O-N 3.02Å; F223-A226 WeakPolarHBondContact O-CB 3.4Å; F223-A226 PolarHBondContact O-N 2.83Å; F223-E227 PolarHBondContact O-N 3.21Å |
| 224 | F | 90.8 | Very high | 92.3 | Very high | 38 Ų | 38 | 21 Ų | 21 | 17% | 0.167 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.4 | -84.4 | -87.5 | 0 | 0 | 0 | 111.6 | E202 F220 A221 A226 E227 Y228 | E202-F224 WeakPolarHBondContact OE1-CZ 2.92Å; F220-F224 AromaticContact CD1-CD2 3.62Å; F220-F224 HydrophobicContact CD1-CD2 3.62Å; F220-F224 AromaticContact CD1-CE2 3.87Å; F220-F224 HydrophobicContact CD1-CE2 3.87Å; F220-F224 HydrophobicContact CD2-CD2 4.02Å; F220-F224 AromaticContact CD2-CE2 3.59Å; F220-F224 HydrophobicContact CD2-CE2 3.59Å; F220-F224 AromaticContact CE1-CD2 3.34Å; F220-F224 HydrophobicContact CE1-CD2 3.34Å; F220-F224 AromaticContact CE1-CE2 3.31Å; F220-F224 HydrophobicContact CE1-CE2 3.31Å; F220-F224 HydrophobicContact CE1-CG 4.18Å; F220-F224 AromaticContact CE1-CZ 3.99Å; F220-F224 HydrophobicContact CE1-CZ 3.99Å; F220-F224 AromaticContact CE2-CD2 3.81Å; F220-F224 HydrophobicContact CE2-CD2 3.81Å; F220-F224 AromaticContact CE2-CE2 3.02Å; F220-F224 HydrophobicContact CE2-CE2 3.02Å; F220-F224 AromaticContact CE2-CZ 3.72Å; F220-F224 HydrophobicContact CE2-CZ 3.72Å; F220-F224 AromaticContact CG-CD2 3.96Å; F220-F224 HydrophobicContact CG-CD2 3.96Å; F220-F224 HydrophobicContact CG-CE2 4Å; F220-F224 AromaticContact CZ-CD2 3.47Å; F220-F224 HydrophobicContact CZ-CD2 3.47Å; F220-F224 VanDerWaalsContact CZ-CD2 3.47Å; F220-F224 HydrophobicContact CZ-CE1 4.32Å; F220-F224 AromaticContact CZ-CE2 2.86Å; F220-F224 HydrophobicContact CZ-CE2 2.86Å; F220-F224 HydrophobicContact CZ-CG 4.45Å; F220-F224 AromaticContact CZ-CZ 3.33Å; F220-F224 HydrophobicContact CZ-CZ 3.33Å; F220-F224 WeakPolarHBondContact O-CD2 3.31Å; F220-F224 PolarHBondContact O-N 3.4Å; A221-F224 PolarHBondContact O-N 3.26Å; F224-A226 VanDerWaalsContact C-N 3.31Å; F224-A226 PolarHBondContact O-N 3.05Å; F224-E227 PolarHBondContact O-N 2.9Å; F224-Y228 HydrophobicContact CD1-CE2 4.01Å; F224-Y228 WeakPolarHBondContact O-CD2 3.33Å; F224-Y228 PolarHBondContact O-N 3.33Å |
| 225 | M | 92.8 | Very high | 92.7 | Very high | 32 Ų | 32 | 17.6 Ų | 17.6 | 16% | 0.158 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 175.6 | -70.8 | -170.9 | -71 | 0 | 0 | 110.7 | M17 F56 L79 A221 L222 F223 Y228 T229 | M17-M225 HydrophobicContact CE-CB 3.81Å; M17-M225 HydrophobicContact CE-CG 3.36Å; M17-M225 HydrophobicContact CE-SD 3.64Å; M17-M225 HydrophobicContact SD-CB 4.31Å; M17-M225 HydrophobicContact SD-CG 3.82Å; F56-M225 HydrophobicContact CZ-CE 4.12Å; L79-M225 HydrophobicContact CD1-CB 4.03Å; A221-M225 HydrophobicContact CB-CE 4.29Å; A221-M225 WeakPolarHBondContact O-CB 3.28Å; A221-M225 WeakPolarHBondContact O-CE 3.36Å; A221-M225 WeakPolarHBondContact O-CG 3.33Å; A221-M225 PolarHBondContact O-N 3.35Å; L222-M225 HydrophobicContact CD2-CE 3.75Å; L222-M225 HydrophobicContact CG-CE 4.34Å; F223-M225 VanDerWaalsContact C-N 3.35Å; F223-M225 PolarHBondContact O-N 3.02Å; M225-Y228 PolarHBondContact O-N 3.12Å; M225-T229 WeakPolarHBondContact O-CB 2.97Å; M225-T229 VanDerWaalsContact O-CG2 3.29Å; M225-T229 WeakPolarHBondContact O-CG2 3.34Å; M225-T229 PolarHBondContact O-N 3.45Å; M225-T229 PolarHBondContact O-OG1 3.44Å |
| 226 | A | 94.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 3% | 0.033 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61 | -49 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A78 A82 L222 F223 F224 Y228 T229 N230 | A78-A226 HydrophobicContact CB-CB 3.86Å; A82-A226 HydrophobicContact CB-CB 4.08Å; L222-A226 WeakPolarHBondContact O-CB 3.49Å; L222-A226 PolarHBondContact O-N 3.17Å; F223-A226 WeakPolarHBondContact O-CB 3.4Å; F223-A226 PolarHBondContact O-N 2.83Å; F224-A226 VanDerWaalsContact C-N 3.31Å; F224-A226 PolarHBondContact O-N 3.05Å; A226-Y228 PolarHBondContact O-N 2.73Å; A226-T229 WeakPolarHBondContact CA-OG1 3.34Å; A226-T229 PolarHBondContact O-N 3.33Å; A226-T229 PolarHBondContact O-OG1 3.29Å; A226-N230 WeakPolarHBondContact O-CB 3.49Å; A226-N230 VanDerWaalsContact O-CG 3.29Å; A226-N230 PolarHBondContact O-N 3.4Å; A226-N230 PolarHBondContact O-ND2 3.31Å |
| 227 | E | 92.8 | Very high | 93.5 | Very high | 32 Ų | 32 | 16.9 Ų | 16.9 | 15% | 0.15 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.4 | -49.4 | 178.4 | -171.9 | -166.2 | 145.8 | 0 | 0 | 111.2 | R195 F223 F224 T229 N230 I231 | R195-E227 WeakPolarHBondContact CD-OE1 3.4Å; R195-E227 IonicContact CZ-OE1 2.79Å; R195-E227 IonicContact NE-OE1 3.1Å; R195-E227 IonicContact NH1-OE1 3.83Å; R195-E227 PolarHBondContact NH1-OE1 2.91Å; F223-E227 PolarHBondContact O-N 3.21Å; F224-E227 PolarHBondContact O-N 2.9Å; E227-T229 PolarHBondContact O-N 3.16Å; E227-N230 WeakPolarHBondContact O-CB 3.42Å; E227-N230 PolarHBondContact O-N 3.36Å; E227-N230 VanDerWaalsContact O-N 3.1Å; E227-I231 WeakPolarHBondContact O-CG1 3.45Å; E227-I231 PolarHBondContact O-N 3.14Å |
| 228 | Y | 93.6 | Very high | 93.9 | Very high | 19 Ų | 19 | 17 Ų | 17 | 8% | 0.075 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66 | -36.9 | 179.4 | -77.7 | -61.2 | 0 | 0 | 0 | 113.1 | L20 M21 E24 F224 M225 A226 N230 I231 I232 | L20-Y228 HydrophobicContact CD2-CD1 3.18Å; L20-Y228 HydrophobicContact CD2-CE1 3.65Å; L20-Y228 HydrophobicContact CD2-CG 4.13Å; M21-Y228 HydrophobicContact CG-CD2 3.73Å; M21-Y228 HydrophobicContact CG-CE2 3.64Å; M21-Y228 HydrophobicContact CG-CG 4.26Å; M21-Y228 HydrophobicContact SD-CD2 4.07Å; M21-Y228 HydrophobicContact SD-CE2 3.97Å; E24-Y228 PolarHBondContact OE1-OH 3.43Å; E24-Y228 WeakPolarHBondContact OE2-CE1 3.45Å; E24-Y228 PolarHBondContact OE2-OH 3.07Å; F224-Y228 HydrophobicContact CD1-CE2 4.01Å; F224-Y228 WeakPolarHBondContact O-CD2 3.33Å; F224-Y228 PolarHBondContact O-N 3.33Å; M225-Y228 PolarHBondContact O-N 3.12Å; A226-Y228 PolarHBondContact O-N 2.73Å; Y228-N230 VanDerWaalsContact C-N 3.3Å; Y228-N230 PolarHBondContact O-N 3.46Å; Y228-I231 HydrophobicContact CD1-CD1 3.8Å; Y228-I231 HydrophobicContact CE1-CD1 4.16Å; Y228-I231 PolarHBondContact O-N 2.9Å; Y228-I232 WeakPolarHBondContact O-CG1 3.34Å; Y228-I232 PolarHBondContact O-N 2.83Å |
| 229 | T | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.4 | -37 | 172.1 | 50.9 | 0 | 0 | 0 | 0 | 111.8 | I13 M17 A82 M225 A226 E227 I232 M233 | I13-T229 HydrophobicContact CG2-CG2 4Å; M17-T229 HydrophobicContact CB-CG2 3.94Å; M17-T229 HydrophobicContact CG-CG2 4.13Å; A82-T229 WeakPolarHBondContact CB-OG1 3.21Å; M225-T229 WeakPolarHBondContact O-CB 2.97Å; M225-T229 VanDerWaalsContact O-CG2 3.29Å; M225-T229 WeakPolarHBondContact O-CG2 3.34Å; M225-T229 PolarHBondContact O-N 3.45Å; M225-T229 PolarHBondContact O-OG1 3.44Å; A226-T229 WeakPolarHBondContact CA-OG1 3.34Å; A226-T229 PolarHBondContact O-N 3.33Å; A226-T229 PolarHBondContact O-OG1 3.29Å; E227-T229 PolarHBondContact O-N 3.16Å; T229-I232 PolarHBondContact O-N 3.2Å; T229-M233 WeakPolarHBondContact O-CB 3.44Å; T229-M233 PolarHBondContact O-N 3.48Å |
| 230 | N | 94.9 | Very high | 94.4 | Very high | 30 Ų | 30 | 14.8 Ų | 14.8 | 16% | 0.16 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.2 | -35.3 | 175.6 | -73.5 | -19 | 0 | 0 | 0 | 112.1 | A82 A226 E227 Y228 M233 M234 | A82-N230 WeakPolarHBondContact CA-OD1 3.39Å; A82-N230 VanDerWaalsContact CB-OD1 3.29Å; A82-N230 WeakPolarHBondContact CB-OD1 3.47Å; A226-N230 WeakPolarHBondContact O-CB 3.49Å; A226-N230 VanDerWaalsContact O-CG 3.29Å; A226-N230 PolarHBondContact O-N 3.4Å; A226-N230 PolarHBondContact O-ND2 3.31Å; E227-N230 WeakPolarHBondContact O-CB 3.42Å; E227-N230 PolarHBondContact O-N 3.36Å; E227-N230 VanDerWaalsContact O-N 3.1Å; Y228-N230 VanDerWaalsContact C-N 3.3Å; Y228-N230 PolarHBondContact O-N 3.46Å; N230-M233 PolarHBondContact O-N 3.19Å; N230-M234 WeakPolarHBondContact O-CB 3.42Å; N230-M234 VanDerWaalsContact O-CG 3.31Å; N230-M234 WeakPolarHBondContact O-CG 3.34Å; N230-M234 PolarHBondContact O-N 3.28Å |
| 231 | I | 95.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 12.1 Ų | 12.1 | 3% | 0.026 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.7 | -48.7 | 174.1 | -66.9 | 167.6 | 0 | 0 | 0 | 111 | T193 R195 E227 Y228 M233 N235 F270 | T193-I231 HydrophobicContact CG2-CG1 4.21Å; R195-I231 HydrophobicContact CG-CD1 3.93Å; R195-I231 HydrophobicContact CG-CG1 4.11Å; E227-I231 WeakPolarHBondContact O-CG1 3.45Å; E227-I231 PolarHBondContact O-N 3.14Å; Y228-I231 HydrophobicContact CD1-CD1 3.8Å; Y228-I231 HydrophobicContact CE1-CD1 4.16Å; Y228-I231 PolarHBondContact O-N 2.9Å; I231-M233 VanDerWaalsContact C-N 3.35Å; I231-N235 WeakPolarHBondContact O-CB 3.48Å; I231-N235 PolarHBondContact O-N 3.11Å; I231-N235 VanDerWaalsContact O-N 3.14Å; I231-N235 PolarHBondContact O-ND2 3.39Å; I231-F270 HydrophobicContact CG2-CD2 3.86Å; I231-F270 HydrophobicContact CG2-CE2 4.42Å |
| 232 | I | 96.1 | Very high | 94.8 | Very high | 19 Ų | 19 | 12.2 Ų | 12.2 | 10% | 0.097 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.3 | -42.8 | 179.8 | -51.7 | 168.7 | 0 | 0 | 0 | 109.3 | A16 M17 L20 W86 Y228 T229 N235 T236 | A16-I232 HydrophobicContact CB-CD1 4.29Å; M17-I232 HydrophobicContact CB-CD1 4.44Å; L20-I232 HydrophobicContact CB-CD1 4.29Å; L20-I232 HydrophobicContact CD1-CD1 3.97Å; L20-I232 HydrophobicContact CD1-CG1 3.57Å; W86-I232 HydrophobicContact CH2-CB 3.93Å; W86-I232 HydrophobicContact CH2-CG2 3.55Å; W86-I232 HydrophobicContact CZ2-CB 3.92Å; W86-I232 HydrophobicContact CZ2-CG2 4.09Å; Y228-I232 WeakPolarHBondContact O-CG1 3.34Å; Y228-I232 PolarHBondContact O-N 2.83Å; T229-I232 PolarHBondContact O-N 3.2Å; I232-N235 PolarHBondContact O-N 2.9Å; I232-T236 HydrophobicContact CG2-CG2 4.16Å; I232-T236 WeakPolarHBondContact O-CG2 3.32Å; I232-T236 PolarHBondContact O-N 2.9Å; I232-T236 PolarHBondContact O-OG1 3.4Å |
| 233 | M | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.6 | -49.4 | 179.6 | -173.7 | -81.4 | -62.3 | 0 | 0 | 111.9 | L85 W86 L89 T229 N230 I231 N235 T236 L237 | L85-M233 HydrophobicContact CB-CE 3.78Å; L85-M233 HydrophobicContact CB-CG 3.86Å; L85-M233 HydrophobicContact CB-SD 3.92Å; L85-M233 HydrophobicContact CD1-CE 3.49Å; L85-M233 VanDerWaalsContact CD1-CE 3.49Å; L85-M233 HydrophobicContact CD2-CE 4.06Å; L85-M233 HydrophobicContact CD2-SD 4.42Å; L85-M233 HydrophobicContact CG-CE 3.97Å; W86-M233 HydrophobicContact CD2-CB 4.43Å; W86-M233 HydrophobicContact CD2-CG 4.39Å; W86-M233 HydrophobicContact CZ2-CB 3.77Å; L89-M233 HydrophobicContact CD1-CG 4.07Å; T229-M233 WeakPolarHBondContact O-CB 3.44Å; T229-M233 PolarHBondContact O-N 3.48Å; N230-M233 PolarHBondContact O-N 3.19Å; I231-M233 VanDerWaalsContact C-N 3.35Å; M233-N235 VanDerWaalsContact C-N 3.33Å; M233-N235 PolarHBondContact O-N 2.91Å; M233-T236 WeakPolarHBondContact CA-OG1 3.46Å; M233-T236 PolarHBondContact O-N 3.46Å; M233-T236 VanDerWaalsContact O-N 3.1Å; M233-T236 PolarHBondContact O-OG1 3.46Å; M233-L237 PolarHBondContact O-N 3.2Å |
| 234 | M | 95.3 | Very high | 94.7 | Very high | 8 Ų | 8 | 11.4 Ų | 11.4 | 4% | 0.039 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | 177.7 | -71.3 | -56 | -179.5 | 0 | 0 | 111.7 | T189 E192 T193 N230 T236 L237 T238 | T189-M234 HydrophobicContact CG2-CB 4.45Å; T189-M234 HydrophobicContact CG2-SD 4.49Å; E192-M234 HydrophobicContact CG-CE 3.81Å; E192-M234 WeakPolarHBondContact OE1-CE 3.44Å; E192-M234 VanDerWaalsContact OE2-CE 3.29Å; E192-M234 WeakPolarHBondContact OE2-CE 3.38Å; T193-M234 HydrophobicContact CG2-CB 4.17Å; T193-M234 HydrophobicContact CG2-CG 3.77Å; N230-M234 WeakPolarHBondContact O-CB 3.42Å; N230-M234 VanDerWaalsContact O-CG 3.31Å; N230-M234 WeakPolarHBondContact O-CG 3.34Å; N230-M234 PolarHBondContact O-N 3.28Å; M234-T236 VanDerWaalsContact C-N 3.34Å; M234-T236 PolarHBondContact O-N 2.97Å; M234-L237 PolarHBondContact O-N 2.95Å; M234-T238 WeakPolarHBondContact O-CG2 3.09Å; M234-T238 PolarHBondContact O-N 3.44Å |
| 235 | N | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.6 | -38.2 | 174.8 | -77.1 | -61.3 | 0 | 0 | 0 | 112 | I231 I232 M233 L237 T238 T239 L266 T267 F270 | I231-N235 WeakPolarHBondContact O-CB 3.48Å; I231-N235 PolarHBondContact O-N 3.11Å; I231-N235 VanDerWaalsContact O-N 3.14Å; I231-N235 PolarHBondContact O-ND2 3.39Å; I232-N235 PolarHBondContact O-N 2.9Å; M233-N235 VanDerWaalsContact C-N 3.33Å; M233-N235 PolarHBondContact O-N 2.91Å; N235-L237 VanDerWaalsContact C-N 3.34Å; N235-L237 PolarHBondContact O-N 2.99Å; N235-T238 WeakPolarHBondContact CA-OG1 3.44Å; N235-T238 PolarHBondContact O-N 2.92Å; N235-T238 PolarHBondContact O-OG1 3.49Å; N235-T239 PolarHBondContact O-N 3.02Å; N235-T239 PolarHBondContact O-OG1 2.78Å; N235-L266 HydrophobicContact CB-CB 4.33Å; N235-T267 HydrophobicContact CB-CG2 3.66Å; N235-T267 WeakPolarHBondContact ND2-CG2 3.17Å; N235-F270 WeakPolarHBondContact ND2-CD2 3.39Å; N235-F270 WeakPolarHBondContact OD1-CD1 3.36Å; N235-F270 VanDerWaalsContact OD1-CE1 3.28Å; N235-F270 WeakPolarHBondContact OD1-CE1 3.23Å |
| 236 | T | 95.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 3% | 0.025 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 173 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | W86 L89 I232 M233 M234 T238 T239 T240 F259 T263 | W86-T236 HydrophobicContact CH2-CG2 3.97Å; W86-T236 HydrophobicContact CZ3-CG2 3.91Å; L89-T236 WeakPolarHBondContact CD1-OG1 3.32Å; I232-T236 HydrophobicContact CG2-CG2 4.16Å; I232-T236 WeakPolarHBondContact O-CG2 3.32Å; I232-T236 PolarHBondContact O-N 2.9Å; I232-T236 PolarHBondContact O-OG1 3.4Å; M233-T236 WeakPolarHBondContact CA-OG1 3.46Å; M233-T236 PolarHBondContact O-N 3.46Å; M233-T236 VanDerWaalsContact O-N 3.1Å; M233-T236 PolarHBondContact O-OG1 3.46Å; M234-T236 VanDerWaalsContact C-N 3.34Å; M234-T236 PolarHBondContact O-N 2.97Å; T236-T238 PolarHBondContact O-N 3.03Å; T236-T239 PolarHBondContact O-N 3.14Å; T236-T239 PolarHBondContact O-OG1 3.47Å; T236-T240 WeakPolarHBondContact O-CG2 3.42Å; T236-T240 PolarHBondContact O-N 3.31Å; T236-F259 HydrophobicContact CG2-CE1 4.37Å; T236-T263 HydrophobicContact CG2-CG2 3.72Å |
| 237 | L | 96.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 176.1 | -171.6 | 139.8 | 0 | 0 | 0 | 111.8 | L89 I105 W185 M233 M234 N235 T239 T240 I241 | L89-L237 HydrophobicContact CD2-CB 4.27Å; L89-L237 HydrophobicContact CD2-CD1 4.4Å; I105-L237 HydrophobicContact CB-CD1 4.31Å; I105-L237 HydrophobicContact CD1-CD1 3.63Å; I105-L237 HydrophobicContact CG1-CD1 4.32Å; I105-L237 HydrophobicContact CG2-CD1 3.56Å; W185-L237 HydrophobicContact CH2-CD2 3.51Å; W185-L237 HydrophobicContact CZ2-CD2 3.09Å; M233-L237 PolarHBondContact O-N 3.2Å; M234-L237 PolarHBondContact O-N 2.95Å; N235-L237 VanDerWaalsContact C-N 3.34Å; N235-L237 PolarHBondContact O-N 2.99Å; L237-T239 VanDerWaalsContact C-N 3.27Å; L237-T239 PolarHBondContact O-N 2.94Å; L237-T240 WeakPolarHBondContact CA-OG1 3.13Å; L237-T240 PolarHBondContact O-N 3.19Å; L237-T240 VanDerWaalsContact O-N 3.09Å; L237-T240 PolarHBondContact O-OG1 2.99Å; L237-I241 HydrophobicContact CD2-CD1 3.39Å; L237-I241 HydrophobicContact CD2-CG1 4.35Å; L237-I241 HydrophobicContact CG-CD1 4.05Å; L237-I241 WeakPolarHBondContact O-CG1 3.47Å; L237-I241 PolarHBondContact O-N 3.13Å |
| 238 | T | 96.8 | Very high | 93.6 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58 | -40.3 | 174.8 | 71.5 | 0 | 0 | 0 | 0 | 111.6 | T189 M234 N235 T236 I241 F242 L266 | T189-T238 HydrophobicContact CG2-CG2 4.11Å; M234-T238 WeakPolarHBondContact O-CG2 3.09Å; M234-T238 PolarHBondContact O-N 3.44Å; N235-T238 WeakPolarHBondContact CA-OG1 3.44Å; N235-T238 PolarHBondContact O-N 2.92Å; N235-T238 PolarHBondContact O-OG1 3.49Å; T236-T238 PolarHBondContact O-N 3.03Å; T238-I241 PolarHBondContact O-N 3.28Å; T238-F242 PolarHBondContact O-N 3.33Å; T238-L266 WeakPolarHBondContact OG1-CD1 3.4Å |
| 239 | T | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.5 | -38.2 | 175.6 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | N235 T236 L237 I241 L243 G244 F259 K262 T263 L266 | N235-T239 PolarHBondContact O-N 3.02Å; N235-T239 PolarHBondContact O-OG1 2.78Å; T236-T239 PolarHBondContact O-N 3.14Å; T236-T239 PolarHBondContact O-OG1 3.47Å; L237-T239 VanDerWaalsContact C-N 3.27Å; L237-T239 PolarHBondContact O-N 2.94Å; T239-I241 VanDerWaalsContact C-N 3.31Å; T239-I241 PolarHBondContact O-N 3.19Å; T239-L243 CarbonylContact O-C 3.44Å; T239-L243 WeakPolarHBondContact O-CA 3.3Å; T239-L243 PolarHBondContact O-N 2.84Å; T239-G244 PolarHBondContact O-N 2.94Å; T239-G244 VanDerWaalsContact O-N 3.16Å; T239-F259 WeakPolarHBondContact OG1-CE2 3.39Å; T239-F259 VanDerWaalsContact OG1-CZ 3.29Å; T239-F259 WeakPolarHBondContact OG1-CZ 3.44Å; T239-K262 HydrophobicContact CG2-CB 3.96Å; T239-T263 HydrophobicContact CG2-CG2 3.55Å; T239-T263 WeakPolarHBondContact OG1-CG2 3.35Å; T239-L266 HydrophobicContact CG2-CD1 3.49Å; T239-L266 VanDerWaalsContact CG2-CD1 3.49Å; T239-L266 HydrophobicContact CG2-CG 4.31Å |
| 240 | T | 95 | Very high | 92.7 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.3 | -38.2 | 176.6 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | P90 Q169 T236 L237 F259 | P90-T240 HydrophobicContact CG-CG2 4.04Å; Q169-T240 PolarHBondContact NE2-O 3.4Å; T236-T240 WeakPolarHBondContact O-CG2 3.42Å; T236-T240 PolarHBondContact O-N 3.31Å; L237-T240 WeakPolarHBondContact CA-OG1 3.13Å; L237-T240 PolarHBondContact O-N 3.19Å; L237-T240 VanDerWaalsContact O-N 3.09Å; L237-T240 PolarHBondContact O-OG1 2.99Å; T240-F259 HydrophobicContact CG2-CE2 3.45Å; T240-F259 VanDerWaalsContact CG2-CE2 3.45Å; T240-F259 HydrophobicContact CG2-CZ 3.58Å |
| 241 | I | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -79.7 | -43.6 | -175.5 | -63.6 | 174.2 | 0 | 0 | 0 | 111.8 | L102 L150 T153 L165 Q169 L174 W185 L237 T238 T239 | L102-I241 HydrophobicContact CD1-CD1 4.31Å; L150-I241 HydrophobicContact CD2-CD1 3.33Å; T153-I241 HydrophobicContact CG2-CG2 4.28Å; L165-I241 HydrophobicContact CD1-CG1 4.24Å; Q169-I241 PolarHBondContact NE2-O 3.02Å; L174-I241 WeakPolarHBondContact CB-O 3.31Å; L174-I241 HydrophobicContact CD2-CG2 4.32Å; L174-I241 VanDerWaalsContact CD2-O 3.23Å; L174-I241 WeakPolarHBondContact CD2-O 3.42Å; W185-I241 HydrophobicContact CH2-CD1 4.46Å; W185-I241 HydrophobicContact CZ2-CD1 4.29Å; L237-I241 HydrophobicContact CD2-CD1 3.39Å; L237-I241 HydrophobicContact CD2-CG1 4.35Å; L237-I241 HydrophobicContact CG-CD1 4.05Å; L237-I241 WeakPolarHBondContact O-CG1 3.47Å; L237-I241 PolarHBondContact O-N 3.13Å; T238-I241 PolarHBondContact O-N 3.28Å; T239-I241 VanDerWaalsContact C-N 3.31Å; T239-I241 PolarHBondContact O-N 3.19Å |
| 242 | F | 95.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -110.5 | -28.3 | -169 | -66.2 | -73.8 | 0 | 0 | 0 | 114.8 | T153 Q169 L174 L175 S178 A182 W185 T238 | T153-F242 HydrophobicContact CG2-CE1 3.68Å; T153-F242 HydrophobicContact CG2-CZ 3.66Å; Q169-F242 VanDerWaalsContact OE1-C 3.3Å; Q169-F242 PolarHBondContact OE1-O 3.26Å; L174-F242 PolarHBondContact N-O 3.33Å; L175-F242 HydrophobicContact CB-CB 4.12Å; L175-F242 WeakPolarHBondContact CB-O 3.28Å; L175-F242 HydrophobicContact CD1-CB 4.43Å; L175-F242 PolarHBondContact N-O 3.11Å; S178-F242 VanDerWaalsContact OG-CE1 3.3Å; S178-F242 WeakPolarHBondContact OG-CE1 3.41Å; A182-F242 HydrophobicContact CB-CD1 3.54Å; A182-F242 HydrophobicContact CB-CD2 4.34Å; A182-F242 HydrophobicContact CB-CE1 3.6Å; A182-F242 HydrophobicContact CB-CE2 4.43Å; A182-F242 HydrophobicContact CB-CG 3.91Å; A182-F242 HydrophobicContact CB-CZ 4.06Å; W185-F242 HydrophobicContact CB-CE2 3.78Å; W185-F242 HydrophobicContact CB-CZ 3.99Å; W185-F242 AromaticContact CD1-CD2 3.89Å; W185-F242 AromaticContact CD1-CE2 3.36Å; W185-F242 HydrophobicContact CD2-CE2 4.01Å; W185-F242 HydrophobicContact CG-CD2 4.34Å; W185-F242 AromaticContact CG-CE2 3.39Å; W185-F242 HydrophobicContact CG-CE2 3.39Å; W185-F242 HydrophobicContact CG-CZ 4.05Å; W185-F242 AromaticContact NE1-CE2 3.92Å; T238-F242 PolarHBondContact O-N 3.33Å |
| 243 | L | 94.6 | Very high | 91.9 | Very high | 30 Ų | 30 | 36.1 Ų | 36.1 | 16% | 0.157 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -126.9 | 42 | -169.4 | -66.5 | 174.9 | 0 | 0 | 0 | 111.8 | W173 L175 T239 K262 L266 | W173-L243 HydrophobicContact CD2-CD2 4.28Å; W173-L243 HydrophobicContact CE3-CD2 4.02Å; L175-L243 HydrophobicContact CB-CD2 4.15Å; L175-L243 HydrophobicContact CD1-CD2 3.96Å; L175-L243 HydrophobicContact CD1-CG 4.25Å; T239-L243 CarbonylContact O-C 3.44Å; T239-L243 WeakPolarHBondContact O-CA 3.3Å; T239-L243 PolarHBondContact O-N 2.84Å; L243-K262 HydrophobicContact CB-CD 4.13Å; L243-K262 VanDerWaalsContact O-CD 3.27Å; L243-K262 WeakPolarHBondContact O-CD 3.39Å; L243-K262 PolarHBondContact O-NZ 2.91Å; L243-L266 HydrophobicContact CD1-CD1 4.24Å |
| 244 | G | 89.3 | Confident | 91.7 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | trans | -50.5 | 151.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W173 T239 K262 | W173-G244 PolarHBondContact NE1-O 3Å; T239-G244 PolarHBondContact O-N 2.94Å; T239-G244 VanDerWaalsContact O-N 3.16Å; G244-K262 PolarHBondContact O-NZ 2.59Å | ||
| 245 | T | 88.4 | Confident | 91.6 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | trans | -111.3 | 145.8 | 177.1 | 42.3 | 0 | 0 | 0 | 0 | 108.8 | Y247 Y255 K262 | T245-Y247 PolarHBondContact O-N 3.05Å; T245-Y255 WeakPolarHBondContact O-CD2 3.04Å; T245-Y255 WeakPolarHBondContact O-CE2 3.42Å; T245-Y255 WeakPolarHBondContact OG1-CD2 3.46Å; T245-Y255 WeakPolarHBondContact OG1-CE2 2.89Å; T245-K262 HydrophobicContact CG2-CD 4.02Å | ||
| 246 | T | 84.9 | Confident | 91.4 | Very high | 93 Ų | 93 | 42.1 Ų | 42.1 | 57% | 0.571 | 23% | 0.234 | S | C | * | . | trans | -63.2 | 132 | 176 | 49.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 247 | Y | 88.2 | Confident | 91.3 | Very high | 89 Ų | 89 | 45.5 Ų | 45.5 | 35% | 0.349 | 25% | 0.254 | S | S | . | . | trans | -93.9 | 118.5 | 176.8 | 175.4 | -106.7 | 0 | 0 | 0 | 109.9 | P92 T245 A249 P252 Y255 | P92-Y247 HydrophobicContact CB-CD2 3.56Å; P92-Y247 HydrophobicContact CB-CE2 3.61Å; P92-Y247 HydrophobicContact CG-CD2 4.02Å; P92-Y247 HydrophobicContact CG-CE2 3.65Å; T245-Y247 PolarHBondContact O-N 3.05Å; Y247-A249 HydrophobicContact CE1-CB 4.05Å; Y247-P252 HydrophobicContact CE2-CB 4.38Å; Y247-Y255 HydrophobicContact CD2-CD2 4.49Å | ||
| 248 | D | 85.4 | Confident | 91.2 | Very high | 85 Ų | 85 | 51.7 Ų | 51.7 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | trans | -105 | 122 | 166.7 | -171.1 | -6.9 | 0 | 0 | 0 | 108.7 | L250 S251 | D248-L250 PolarHBondContact O-N 3.46Å; D248-L250 PolarHBondContact OD1-N 2.88Å; D248-S251 CarbonylContact O-C 3.02Å; D248-S251 PolarHBondContact O-N 2.88Å | ||
| 249 | A | 84.7 | Confident | 91.2 | Very high | 73 Ų | 73 | 51.5 Ų | 51.5 | 60% | 0.603 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y247 | Y247-A249 HydrophobicContact CE1-CB 4.05Š|
| 250 | L | 87.2 | Confident | 91.1 | Very high | 161 Ų | 161 | 54.5 Ų | 54.5 | 84% | 0.843 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -24.3 | 179.5 | -68.3 | 170.6 | 0 | 0 | 0 | 112.8 | D248 | D248-L250 PolarHBondContact O-N 3.46Å; D248-L250 PolarHBondContact OD1-N 2.88Å |
| 251 | S | 89.1 | Confident | 91.1 | Very high | 27 Ų | 27 | 58.3 Ų | 58.3 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | trans | -141.5 | 73.4 | -176.2 | 59 | 0 | 0 | 0 | 0 | 111.3 | D248 E253 L254 | D248-S251 CarbonylContact O-C 3.02Å; D248-S251 PolarHBondContact O-N 2.88Å; S251-E253 PolarHBondContact O-N 3.31Å; S251-E253 VanDerWaalsContact O-N 3.15Å; S251-L254 PolarHBondContact O-N 3.22Å; S251-L254 VanDerWaalsContact O-N 3.13Å; S251-L254 WeakPolarHBondContact OG-CD1 3.36Å | ||
| 252 | P | 89 | Confident | 91.1 | Very high | 40 Ų | 40 | 60.2 Ų | 60.2 | 26% | 0.26 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -21 | 179.1 | 26.7 | -35 | 0 | 0 | 0 | 112.8 | P92 Y247 L254 Y255 T256 | P92-P252 HydrophobicContact CG-CB 3.89Å; Y247-P252 HydrophobicContact CE2-CB 4.38Å; P252-L254 VanDerWaalsContact C-N 3.3Å; P252-L254 PolarHBondContact O-N 3.28Å; P252-Y255 WeakPolarHBondContact O-CB 3.29Å; P252-Y255 PolarHBondContact O-N 2.75Å; P252-T256 PolarHBondContact O-N 3.03Å |
| 253 | E | 91.4 | Very high | 91.1 | Very high | 123 Ų | 123 | 60.3 Ų | 60.3 | 58% | 0.575 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.7 | -28.7 | 177.2 | -54.7 | 80.6 | -172 | 0 | 0 | 112.6 | S251 Y255 T256 T257 | S251-E253 PolarHBondContact O-N 3.31Å; S251-E253 VanDerWaalsContact O-N 3.15Å; E253-Y255 VanDerWaalsContact C-N 3.35Å; E253-T256 WeakPolarHBondContact CA-OG1 3.49Å; E253-T256 PolarHBondContact O-N 3.27Å; E253-T256 PolarHBondContact O-OG1 2.85Å; E253-T257 VanDerWaalsContact O-CG2 3.31Å; E253-T257 WeakPolarHBondContact O-CG2 3.3Å; E253-T257 PolarHBondContact O-N 3.28Å; E253-T257 PolarHBondContact O-OG1 3.25Å; E253-T257 VanDerWaalsContact O-OG1 3.05Å |
| 254 | L | 91.3 | Very high | 91.2 | Very high | 89 Ų | 89 | 63.9 Ų | 63.9 | 47% | 0.466 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 175.1 | -67.4 | -176.5 | 0 | 0 | 0 | 110.7 | S251 P252 T256 T257 Y258 | S251-L254 PolarHBondContact O-N 3.22Å; S251-L254 VanDerWaalsContact O-N 3.13Å; S251-L254 WeakPolarHBondContact OG-CD1 3.36Å; P252-L254 VanDerWaalsContact C-N 3.3Å; P252-L254 PolarHBondContact O-N 3.28Å; L254-T256 PolarHBondContact O-N 3.06Å; L254-T257 WeakPolarHBondContact CA-OG1 3.26Å; L254-T257 PolarHBondContact O-N 2.81Å; L254-T257 PolarHBondContact O-OG1 2.63Å; L254-Y258 HydrophobicContact CB-CE2 4.34Å; L254-Y258 WeakPolarHBondContact O-CD2 3.25Å; L254-Y258 PolarHBondContact O-N 2.74Å; L254-Y258 VanDerWaalsContact O-N 3.08Å |
| 255 | Y | 92.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.008 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.5 | -49.8 | 173.8 | 179.2 | -81.3 | 0 | 0 | 0 | 110.7 | P92 I166 T245 Y247 P252 E253 T257 Y258 F259 | P92-Y255 HydrophobicContact CB-CD1 3.53Å; P92-Y255 HydrophobicContact CB-CD2 4.41Å; P92-Y255 HydrophobicContact CB-CE1 3.91Å; P92-Y255 HydrophobicContact CB-CG 3.84Å; P92-Y255 HydrophobicContact CG-CD1 4.14Å; P92-Y255 HydrophobicContact CG-CG 4.44Å; I166-Y255 HydrophobicContact CD1-CE1 4.42Å; I166-Y255 HydrophobicContact CD1-CE2 3.91Å; I166-Y255 VanDerWaalsContact CD1-OH 3.25Å; I166-Y255 WeakPolarHBondContact CD1-OH 3.47Å; I166-Y255 HydrophobicContact CG1-CE2 4.12Å; I166-Y255 WeakPolarHBondContact CG1-OH 3.37Å; I166-Y255 HydrophobicContact CG2-CD2 4.49Å; I166-Y255 HydrophobicContact CG2-CE2 3.75Å; T245-Y255 WeakPolarHBondContact O-CD2 3.04Å; T245-Y255 WeakPolarHBondContact O-CE2 3.42Å; T245-Y255 WeakPolarHBondContact OG1-CD2 3.46Å; T245-Y255 WeakPolarHBondContact OG1-CE2 2.89Å; Y247-Y255 HydrophobicContact CD2-CD2 4.49Å; P252-Y255 WeakPolarHBondContact O-CB 3.29Å; P252-Y255 PolarHBondContact O-N 2.75Å; E253-Y255 VanDerWaalsContact C-N 3.35Å; Y255-T257 VanDerWaalsContact C-N 3.35Å; Y255-T257 PolarHBondContact O-N 3.4Å; Y255-Y258 PolarHBondContact O-N 2.79Å; Y255-F259 HydrophobicContact CD1-CB 4.34Å; Y255-F259 HydrophobicContact CE1-CB 4.07Å; Y255-F259 HydrophobicContact CE1-CD2 4.32Å; Y255-F259 HydrophobicContact CE1-CG 4.2Å; Y255-F259 WeakPolarHBondContact O-CB 3.46Å; Y255-F259 PolarHBondContact O-N 2.69Å |
| 256 | T | 93.3 | Very high | 91.8 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 27% | 0.27 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | -177.2 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | P252 E253 L254 F259 V260 | P252-T256 PolarHBondContact O-N 3.03Å; E253-T256 WeakPolarHBondContact CA-OG1 3.49Å; E253-T256 PolarHBondContact O-N 3.27Å; E253-T256 PolarHBondContact O-OG1 2.85Å; L254-T256 PolarHBondContact O-N 3.06Å; T256-F259 PolarHBondContact O-N 2.81Å; T256-V260 VanDerWaalsContact O-CB 3.3Å; T256-V260 WeakPolarHBondContact O-CB 3.44Å; T256-V260 WeakPolarHBondContact O-CG2 3.26Å; T256-V260 PolarHBondContact O-N 3.11Å |
| 257 | T | 93.3 | Very high | 92.3 | Very high | 74 Ų | 74 | 65.3 Ų | 65.3 | 45% | 0.454 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 178.2 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | E253 L254 Y255 V260 T261 | E253-T257 VanDerWaalsContact O-CG2 3.31Å; E253-T257 WeakPolarHBondContact O-CG2 3.3Å; E253-T257 PolarHBondContact O-N 3.28Å; E253-T257 PolarHBondContact O-OG1 3.25Å; E253-T257 VanDerWaalsContact O-OG1 3.05Å; L254-T257 WeakPolarHBondContact CA-OG1 3.26Å; L254-T257 PolarHBondContact O-N 2.81Å; L254-T257 PolarHBondContact O-OG1 2.63Å; Y255-T257 VanDerWaalsContact C-N 3.35Å; Y255-T257 PolarHBondContact O-N 3.4Å; T257-V260 PolarHBondContact O-N 3.17Å; T257-T261 VanDerWaalsContact O-CG2 3.29Å; T257-T261 WeakPolarHBondContact O-CG2 3.14Å; T257-T261 PolarHBondContact O-N 3.31Å; T257-T261 PolarHBondContact O-OG1 3.12Å |
| 258 | Y | 94.3 | Very high | 92.6 | Very high | 134 Ų | 134 | 63.5 Ų | 63.5 | 53% | 0.525 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 175.4 | -69.3 | -56.9 | 0 | 0 | 0 | 112.2 | L254 Y255 T261 K262 | L254-Y258 HydrophobicContact CB-CE2 4.34Å; L254-Y258 WeakPolarHBondContact O-CD2 3.25Å; L254-Y258 PolarHBondContact O-N 2.74Å; L254-Y258 VanDerWaalsContact O-N 3.08Å; Y255-Y258 PolarHBondContact O-N 2.79Å; Y258-T261 WeakPolarHBondContact CA-OG1 3.08Å; Y258-T261 PolarHBondContact O-N 3.45Å; Y258-T261 PolarHBondContact O-OG1 3.14Å; Y258-K262 WeakPolarHBondContact O-CG 3.45Å; Y258-K262 PolarHBondContact O-N 3.38Å; Y258-K262 VanDerWaalsContact O-N 3.11Å |
| 259 | F | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.4 | -50.1 | 176 | -178.1 | -100.5 | 0 | 0 | 0 | 111.1 | M91 T236 T239 T240 Y255 T256 T261 K262 T263 | M91-F259 HydrophobicContact CE-CE1 4.46Å; M91-F259 HydrophobicContact CG-CD1 4.21Å; M91-F259 HydrophobicContact CG-CE1 3.92Å; M91-F259 HydrophobicContact SD-CE1 4.36Å; T236-F259 HydrophobicContact CG2-CE1 4.37Å; T239-F259 WeakPolarHBondContact OG1-CE2 3.39Å; T239-F259 VanDerWaalsContact OG1-CZ 3.29Å; T239-F259 WeakPolarHBondContact OG1-CZ 3.44Å; T240-F259 HydrophobicContact CG2-CE2 3.45Å; T240-F259 VanDerWaalsContact CG2-CE2 3.45Å; T240-F259 HydrophobicContact CG2-CZ 3.58Å; Y255-F259 HydrophobicContact CD1-CB 4.34Å; Y255-F259 HydrophobicContact CE1-CB 4.07Å; Y255-F259 HydrophobicContact CE1-CD2 4.32Å; Y255-F259 HydrophobicContact CE1-CG 4.2Å; Y255-F259 WeakPolarHBondContact O-CB 3.46Å; Y255-F259 PolarHBondContact O-N 2.69Å; T256-F259 PolarHBondContact O-N 2.81Å; F259-T261 PolarHBondContact O-N 3.03Å; F259-K262 PolarHBondContact O-N 3.11Å; F259-T263 HydrophobicContact CD1-CG2 4.29Å; F259-T263 HydrophobicContact CE1-CG2 3.95Å; F259-T263 HydrophobicContact CE2-CG2 4.5Å; F259-T263 HydrophobicContact CZ-CG2 4.06Å; F259-T263 WeakPolarHBondContact O-CG2 3.24Å; F259-T263 PolarHBondContact O-N 3.25Å; F259-T263 PolarHBondContact O-OG1 3.47Å |
| 260 | V | 94.8 | Very high | 93.4 | Very high | 63 Ų | 63 | 58.9 Ų | 58.9 | 38% | 0.382 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 179.6 | 171.5 | 0 | 0 | 0 | 0 | 112.1 | T256 T257 K262 T263 L264 | T256-V260 VanDerWaalsContact O-CB 3.3Å; T256-V260 WeakPolarHBondContact O-CB 3.44Å; T256-V260 WeakPolarHBondContact O-CG2 3.26Å; T256-V260 PolarHBondContact O-N 3.11Å; T257-V260 PolarHBondContact O-N 3.17Å; V260-K262 PolarHBondContact O-N 3.48Å; V260-T263 WeakPolarHBondContact CA-OG1 3.3Å; V260-T263 PolarHBondContact O-N 3.27Å; V260-T263 PolarHBondContact O-OG1 3.13Å; V260-L264 HydrophobicContact CG1-CD1 3.9Å; V260-L264 HydrophobicContact CG1-CG 4.26Å; V260-L264 WeakPolarHBondContact O-CB 3.41Å; V260-L264 VanDerWaalsContact O-CG 3.24Å; V260-L264 WeakPolarHBondContact O-CG 3.43Å; V260-L264 PolarHBondContact O-N 3.28Å |
| 261 | T | 95.1 | Very high | 93.7 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 176.7 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | T257 Y258 F259 L264 L265 | T257-T261 VanDerWaalsContact O-CG2 3.29Å; T257-T261 WeakPolarHBondContact O-CG2 3.14Å; T257-T261 PolarHBondContact O-N 3.31Å; T257-T261 PolarHBondContact O-OG1 3.12Å; Y258-T261 WeakPolarHBondContact CA-OG1 3.08Å; Y258-T261 PolarHBondContact O-N 3.45Å; Y258-T261 PolarHBondContact O-OG1 3.14Å; F259-T261 PolarHBondContact O-N 3.03Å; T261-L264 PolarHBondContact O-N 3.43Å; T261-L265 PolarHBondContact O-N 3.39Å |
| 262 | K | 96 | Very high | 93.9 | Very high | 40 Ų | 40 | 57 Ų | 57 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 174.1 | -69.2 | -179.8 | -175.5 | -171.2 | 0 | 112.2 | T239 L243 G244 T245 Y258 F259 V260 L265 L266 | T239-K262 HydrophobicContact CG2-CB 3.96Å; L243-K262 HydrophobicContact CB-CD 4.13Å; L243-K262 VanDerWaalsContact O-CD 3.27Å; L243-K262 WeakPolarHBondContact O-CD 3.39Å; L243-K262 PolarHBondContact O-NZ 2.91Å; G244-K262 PolarHBondContact O-NZ 2.59Å; T245-K262 HydrophobicContact CG2-CD 4.02Å; Y258-K262 WeakPolarHBondContact O-CG 3.45Å; Y258-K262 PolarHBondContact O-N 3.38Å; Y258-K262 VanDerWaalsContact O-N 3.11Å; F259-K262 PolarHBondContact O-N 3.11Å; V260-K262 PolarHBondContact O-N 3.48Å; K262-L265 PolarHBondContact O-N 3Å; K262-L266 PolarHBondContact O-N 2.87Å |
| 263 | T | 95.8 | Very high | 94.1 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 177.3 | 58.3 | 0 | 0 | 0 | 0 | 111.8 | T236 T239 F259 V260 L265 L266 T267 | T236-T263 HydrophobicContact CG2-CG2 3.72Å; T239-T263 HydrophobicContact CG2-CG2 3.55Å; T239-T263 WeakPolarHBondContact OG1-CG2 3.35Å; F259-T263 HydrophobicContact CD1-CG2 4.29Å; F259-T263 HydrophobicContact CE1-CG2 3.95Å; F259-T263 HydrophobicContact CE2-CG2 4.5Å; F259-T263 HydrophobicContact CZ-CG2 4.06Å; F259-T263 WeakPolarHBondContact O-CG2 3.24Å; F259-T263 PolarHBondContact O-N 3.25Å; F259-T263 PolarHBondContact O-OG1 3.47Å; V260-T263 WeakPolarHBondContact CA-OG1 3.3Å; V260-T263 PolarHBondContact O-N 3.27Å; V260-T263 PolarHBondContact O-OG1 3.13Å; T263-L265 VanDerWaalsContact C-N 3.3Å; T263-L265 PolarHBondContact O-N 3.35Å; T263-L266 PolarHBondContact O-N 2.78Å; T263-T267 WeakPolarHBondContact O-CG2 3.48Å; T263-T267 PolarHBondContact O-N 3.31Å; T263-T267 PolarHBondContact O-OG1 2.97Å; T263-T267 VanDerWaalsContact O-OG1 3.08Å |
| 264 | L | 95.6 | Very high | 94 | Very high | 105 Ų | 105 | 53.6 Ų | 53.6 | 55% | 0.55 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 173.4 | -72.2 | 173 | 0 | 0 | 0 | 112 | V260 T261 T267 S268 | V260-L264 HydrophobicContact CG1-CD1 3.9Å; V260-L264 HydrophobicContact CG1-CG 4.26Å; V260-L264 WeakPolarHBondContact O-CB 3.41Å; V260-L264 VanDerWaalsContact O-CG 3.24Å; V260-L264 WeakPolarHBondContact O-CG 3.43Å; V260-L264 PolarHBondContact O-N 3.28Å; T261-L264 PolarHBondContact O-N 3.43Å; L264-T267 VanDerWaalsContact CA-OG1 3.28Å; L264-T267 WeakPolarHBondContact CA-OG1 3.4Å; L264-T267 PolarHBondContact O-OG1 3.08Å; L264-S268 WeakPolarHBondContact O-CB 3.32Å; L264-S268 PolarHBondContact O-N 3.26Å |
| 265 | L | 96 | Very high | 93.9 | Very high | 103 Ų | 103 | 51.4 Ų | 51.4 | 54% | 0.539 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 174.3 | -173.4 | 146 | 0 | 0 | 0 | 111.5 | T261 K262 T263 S268 L269 | T261-L265 PolarHBondContact O-N 3.39Å; K262-L265 PolarHBondContact O-N 3Å; T263-L265 VanDerWaalsContact C-N 3.3Å; T263-L265 PolarHBondContact O-N 3.35Å; L265-S268 PolarHBondContact O-N 3.12Å; L265-S268 PolarHBondContact O-OG 3.35Å; L265-L269 HydrophobicContact CD2-CD1 3.87Å; L265-L269 PolarHBondContact O-N 2.87Å |
| 266 | L | 95.9 | Very high | 93.8 | Very high | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 177.5 | -70.1 | -176.2 | 0 | 0 | 0 | 113.1 | F186 N235 T238 T239 L243 K262 T263 S268 L269 F270 | F186-L266 HydrophobicContact CE2-CD2 4.23Å; N235-L266 HydrophobicContact CB-CB 4.33Å; T238-L266 WeakPolarHBondContact OG1-CD1 3.4Å; T239-L266 HydrophobicContact CG2-CD1 3.49Å; T239-L266 VanDerWaalsContact CG2-CD1 3.49Å; T239-L266 HydrophobicContact CG2-CG 4.31Å; L243-L266 HydrophobicContact CD1-CD1 4.24Å; K262-L266 PolarHBondContact O-N 2.87Å; T263-L266 PolarHBondContact O-N 2.78Å; L266-S268 VanDerWaalsContact C-N 3.3Å; L266-S268 PolarHBondContact O-N 2.88Å; L266-L269 HydrophobicContact CD2-CD1 4.03Å; L266-L269 WeakPolarHBondContact O-CA 3.46Å; L266-L269 VanDerWaalsContact O-CB 3.26Å; L266-L269 WeakPolarHBondContact O-CB 3.48Å; L266-L269 PolarHBondContact O-N 3.47Å; L266-L269 VanDerWaalsContact O-N 3.12Å; L266-F270 PolarHBondContact O-N 3.16Å |
| 267 | T | 94.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 58.9 Ų | 58.9 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 172.9 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | L20 N235 T263 L264 L269 F270 L271 | L20-T267 HydrophobicContact CD1-CG2 4.39Å; N235-T267 HydrophobicContact CB-CG2 3.66Å; N235-T267 WeakPolarHBondContact ND2-CG2 3.17Å; T263-T267 WeakPolarHBondContact O-CG2 3.48Å; T263-T267 PolarHBondContact O-N 3.31Å; T263-T267 PolarHBondContact O-OG1 2.97Å; T263-T267 VanDerWaalsContact O-OG1 3.08Å; L264-T267 VanDerWaalsContact CA-OG1 3.28Å; L264-T267 WeakPolarHBondContact CA-OG1 3.4Å; L264-T267 PolarHBondContact O-OG1 3.08Å; T267-L269 VanDerWaalsContact C-N 3.31Å; T267-L269 PolarHBondContact O-N 2.98Å; T267-F270 WeakPolarHBondContact O-CB 3.47Å; T267-F270 PolarHBondContact O-N 2.93Å; T267-L271 WeakPolarHBondContact O-CG 3.44Å; T267-L271 PolarHBondContact O-N 3.4Å; T267-L271 VanDerWaalsContact O-N 3.1Å |
| 268 | S | 93.2 | Very high | 93.4 | Very high | 51 Ų | 51 | 60.3 Ų | 60.3 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 172.8 | 79.4 | 0 | 0 | 0 | 0 | 112.7 | L264 L265 L266 L271 W272 | L264-S268 WeakPolarHBondContact O-CB 3.32Å; L264-S268 PolarHBondContact O-N 3.26Å; L265-S268 PolarHBondContact O-N 3.12Å; L265-S268 PolarHBondContact O-OG 3.35Å; L266-S268 VanDerWaalsContact C-N 3.3Å; L266-S268 PolarHBondContact O-N 2.88Å; S268-L271 PolarHBondContact O-N 2.97Å; S268-W272 WeakPolarHBondContact O-CB 3.26Å; S268-W272 PolarHBondContact O-N 2.79Å |
| 269 | L | 94.5 | Very high | 93.1 | Very high | 53 Ų | 53 | 57.9 Ų | 57.9 | 28% | 0.277 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 171.8 | -97.4 | 158.8 | 0 | 0 | 0 | 111.8 | F186 L265 L266 T267 L271 W272 I273 | F186-L269 HydrophobicContact CZ-CB 4.21Å; L265-L269 HydrophobicContact CD2-CD1 3.87Å; L265-L269 PolarHBondContact O-N 2.87Å; L266-L269 HydrophobicContact CD2-CD1 4.03Å; L266-L269 WeakPolarHBondContact O-CA 3.46Å; L266-L269 VanDerWaalsContact O-CB 3.26Å; L266-L269 WeakPolarHBondContact O-CB 3.48Å; L266-L269 PolarHBondContact O-N 3.47Å; L266-L269 VanDerWaalsContact O-N 3.12Å; T267-L269 VanDerWaalsContact C-N 3.31Å; T267-L269 PolarHBondContact O-N 2.98Å; L269-L271 VanDerWaalsContact C-N 3.3Å; L269-L271 PolarHBondContact O-N 2.9Å; L269-W272 HydrophobicContact CD2-CE3 3.75Å; L269-W272 HydrophobicContact CD2-CZ3 4.08Å; L269-W272 PolarHBondContact O-N 3.21Å; L269-I273 VanDerWaalsContact O-CG1 3.29Å; L269-I273 WeakPolarHBondContact O-CG1 3.41Å; L269-I273 PolarHBondContact O-N 3.02Å |
| 270 | F | 93.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.4 | -46.3 | 172.3 | -94.5 | 43.1 | 0 | 0 | 0 | 111.5 | F186 L190 I231 N235 L266 T267 I273 R274 | F186-F270 AromaticContact CD2-CE1 3.93Å; F186-F270 HydrophobicContact CD2-CE1 3.93Å; F186-F270 HydrophobicContact CE1-CD1 4.47Å; F186-F270 HydrophobicContact CE1-CE1 4.35Å; F186-F270 AromaticContact CE2-CD1 3.62Å; F186-F270 HydrophobicContact CE2-CD1 3.62Å; F186-F270 AromaticContact CE2-CE1 3.32Å; F186-F270 HydrophobicContact CE2-CE1 3.32Å; F186-F270 AromaticContact CZ-CD1 3.52Å; F186-F270 HydrophobicContact CZ-CD1 3.52Å; F186-F270 AromaticContact CZ-CE1 3.57Å; F186-F270 HydrophobicContact CZ-CE1 3.57Å; L190-F270 HydrophobicContact CD2-CB 4.49Å; L190-F270 HydrophobicContact CD2-CD1 3.81Å; L190-F270 HydrophobicContact CD2-CD2 3.73Å; L190-F270 HydrophobicContact CD2-CE1 3.84Å; L190-F270 HydrophobicContact CD2-CE2 3.79Å; L190-F270 HydrophobicContact CD2-CG 3.74Å; L190-F270 HydrophobicContact CD2-CZ 3.83Å; L190-F270 HydrophobicContact CG-CD1 4.27Å; L190-F270 HydrophobicContact CG-CE1 3.84Å; L190-F270 HydrophobicContact CG-CE2 4.25Å; L190-F270 HydrophobicContact CG-CZ 3.84Å; I231-F270 HydrophobicContact CG2-CD2 3.86Å; I231-F270 HydrophobicContact CG2-CE2 4.42Å; N235-F270 WeakPolarHBondContact ND2-CD2 3.39Å; N235-F270 WeakPolarHBondContact OD1-CD1 3.36Å; N235-F270 VanDerWaalsContact OD1-CE1 3.28Å; N235-F270 WeakPolarHBondContact OD1-CE1 3.23Å; L266-F270 PolarHBondContact O-N 3.16Å; T267-F270 WeakPolarHBondContact O-CB 3.47Å; T267-F270 PolarHBondContact O-N 2.93Å; F270-I273 PolarHBondContact O-N 3.5Å; F270-R274 PolarHBondContact O-N 3.17Å |
| 271 | L | 92.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 178.9 | -64 | 176.3 | 0 | 0 | 0 | 112.1 | E24 I27 T267 S268 L269 R274 T275 | E24-L271 HydrophobicContact CB-CD1 4.3Å; E24-L271 HydrophobicContact CB-CD2 3.71Å; E24-L271 HydrophobicContact CG-CD2 3.75Å; E24-L271 WeakPolarHBondContact OE2-CD2 3.41Å; I27-L271 HydrophobicContact CD1-CD1 3.64Å; I27-L271 HydrophobicContact CG2-CB 4.24Å; T267-L271 WeakPolarHBondContact O-CG 3.44Å; T267-L271 PolarHBondContact O-N 3.4Å; T267-L271 VanDerWaalsContact O-N 3.1Å; S268-L271 PolarHBondContact O-N 2.97Å; L269-L271 VanDerWaalsContact C-N 3.3Å; L269-L271 PolarHBondContact O-N 2.9Å; L271-R274 PolarHBondContact O-N 2.87Å; L271-T275 PolarHBondContact O-N 3.21Å |
| 272 | W | 93.4 | Very high | 91.8 | Very high | 141 Ų | 141 | 64.8 Ų | 64.8 | 53% | 0.534 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 176.4 | -178.4 | 35.5 | 0 | 0 | 0 | 112 | M31 S268 L269 R274 T275 A276 | M31-W272 HydrophobicContact CE-CB 3.74Å; M31-W272 HydrophobicContact CE-CG 3.73Å; M31-W272 HydrophobicContact SD-CB 4.46Å; M31-W272 HydrophobicContact SD-CG 4.46Å; S268-W272 WeakPolarHBondContact O-CB 3.26Å; S268-W272 PolarHBondContact O-N 2.79Å; L269-W272 HydrophobicContact CD2-CE3 3.75Å; L269-W272 HydrophobicContact CD2-CZ3 4.08Å; L269-W272 PolarHBondContact O-N 3.21Å; W272-R274 VanDerWaalsContact C-N 3.26Å; W272-R274 PolarHBondContact O-N 3.15Å; W272-T275 PolarHBondContact O-N 2.74Å; W272-T275 PolarHBondContact O-OG1 3.39Å; W272-A276 PolarHBondContact O-N 3.16Å; W272-A276 VanDerWaalsContact O-N 3.13Å |
| 273 | I | 93.5 | Very high | 91.4 | Very high | 21 Ų | 21 | 66.7 Ų | 66.7 | 11% | 0.108 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.7 | -41.6 | 178.2 | -73.1 | 167.4 | 0 | 0 | 0 | 111.1 | F186 L190 L269 F270 T275 A276 Y277 | F186-I273 HydrophobicContact CE1-CD1 3.39Å; F186-I273 HydrophobicContact CZ-CD1 3.87Å; L190-I273 HydrophobicContact CD1-CD1 3.98Å; L190-I273 HydrophobicContact CD1-CG2 4.19Å; L269-I273 VanDerWaalsContact O-CG1 3.29Å; L269-I273 WeakPolarHBondContact O-CG1 3.41Å; L269-I273 PolarHBondContact O-N 3.02Å; F270-I273 PolarHBondContact O-N 3.5Å; I273-T275 PolarHBondContact O-N 3.45Å; I273-A276 PolarHBondContact O-N 3.16Å; I273-A276 VanDerWaalsContact O-N 3.12Å; I273-Y277 HydrophobicContact CB-CD2 4.35Å; I273-Y277 HydrophobicContact CG1-CE2 4.33Å; I273-Y277 HydrophobicContact CG2-CD2 3.79Å; I273-Y277 HydrophobicContact CG2-CE2 4.27Å; I273-Y277 WeakPolarHBondContact O-CD2 3.44Å; I273-Y277 PolarHBondContact O-N 3.36Å |
| 274 | R | 89.8 | Confident | 91.2 | Very high | 69 Ų | 69 | 71.3 Ų | 71.3 | 26% | 0.26 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.1 | -34.9 | 174.3 | 171.1 | 168 | -174 | 177.8 | -1.3 | 113.1 | E24 L28 R195 X196 F270 L271 W272 | E24-R274 IonicContact OE1-CZ 3.89Å; E24-R274 IonicContact OE1-NH1 3.93Å; E24-R274 PolarHBondContact OE1-NH1 2.9Å; L28-R274 HydrophobicContact CD2-CG 4.25Å; R195-R274 VanDerWaalsContact NH1-NH1 3.17Å; A196-R274 HydrophobicContact CB-CB 4.3Å; A196-R274 HydrophobicContact CB-CG 3.98Å; F270-R274 PolarHBondContact O-N 3.17Å; L271-R274 PolarHBondContact O-N 2.87Å; W272-R274 VanDerWaalsContact C-N 3.26Å; W272-R274 PolarHBondContact O-N 3.15Å |
| 275 | T | 88.9 | Confident | 90.9 | Very high | 44 Ų | 44 | 66.3 Ų | 66.3 | 27% | 0.27 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -78.9 | -27.1 | 177.7 | 62.1 | 0 | 0 | 0 | 0 | 114.1 | L28 M31 L271 W272 I273 | L28-T275 HydrophobicContact CD2-CG2 3.3Å; L28-T275 HydrophobicContact CG-CG2 4.27Å; M31-T275 HydrophobicContact CB-CG2 3.98Å; M31-T275 HydrophobicContact CG-CG2 4.4Å; M31-T275 HydrophobicContact SD-CG2 3.54Å; M31-T275 VanDerWaalsContact SD-CG2 3.54Å; M31-T275 PolarHBondContact SD-OG1 3.24Å; L271-T275 PolarHBondContact O-N 3.21Å; W272-T275 PolarHBondContact O-N 2.74Å; W272-T275 PolarHBondContact O-OG1 3.39Å; I273-T275 PolarHBondContact O-N 3.45Å |
| 276 | A | 90.4 | Very high | 90.7 | Very high | 56 Ų | 56 | 63.5 Ų | 63.5 | 46% | 0.463 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -90.8 | -33.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113 | W272 I273 | W272-A276 PolarHBondContact O-N 3.16Å; W272-A276 VanDerWaalsContact O-N 3.13Å; I273-A276 PolarHBondContact O-N 3.16Å; I273-A276 VanDerWaalsContact O-N 3.12Å |
| 277 | Y | 90.9 | Very high | 90.5 | Very high | 146 Ų | 146 | 66.5 Ų | 66.5 | 57% | 0.573 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -108.5 | 143.3 | -168.8 | -66.3 | -74.2 | 0 | 0 | 0 | 113.8 | I273 | I273-Y277 HydrophobicContact CB-CD2 4.35Å; I273-Y277 HydrophobicContact CG1-CE2 4.33Å; I273-Y277 HydrophobicContact CG2-CD2 3.79Å; I273-Y277 HydrophobicContact CG2-CE2 4.27Å; I273-Y277 WeakPolarHBondContact O-CD2 3.44Å; I273-Y277 PolarHBondContact O-N 3.36Å |
| 278 | P | 88.1 | Confident | 90.5 | Very high | 104 Ų | 104 | 67.9 Ų | 67.9 | 68% | 0.675 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 158.1 | 168.3 | 32 | -34.5 | 0 | 0 | 0 | 111 | P197 | P197-P278 WeakPolarHBondContact CB-O 3.33Š|
| 279 | R | 87.9 | Confident | 90.4 | Very high | 84 Ų | 84 | 65.6 Ų | 65.6 | 32% | 0.317 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 140.5 | 174.1 | -70.9 | -178.8 | 171.1 | 144.3 | 0.8 | 110.7 | P197 D199 E204 | P197-R279 WeakPolarHBondContact O-CA 3.27Å; D199-R279 IonicContact OD2-CZ 3.29Å; D199-R279 IonicContact OD2-NE 2.99Å; D199-R279 IonicContact OD2-NH2 2.71Å; D199-R279 PolarHBondContact OD2-NH2 3.44Å; E204-R279 IonicContact OE2-CZ 3.54Å; E204-R279 IonicContact OE2-NH1 3.51Å; E204-R279 IonicContact OE2-NH2 3.77Å; E204-R279 PolarHBondContact OE2-NH2 2.99Å |
| 280 | F | 86.4 | Confident | 90.4 | Very high | 78 Ų | 78 | 68.7 Ų | 68.7 | 34% | 0.342 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 152.2 | 169.5 | -81.3 | -80.6 | 0 | 0 | 0 | 110.9 | P197 F198 L200 Q284 | P197-F280 HydrophobicContact CB-CD2 3.64Å; P197-F280 HydrophobicContact CB-CE2 3.92Å; P197-F280 HydrophobicContact CG-CD2 3.79Å; P197-F280 HydrophobicContact CG-CE2 3.75Å; P197-F280 PolarHBondContact O-N 3.09Å; F198-F280 HydrophobicContact CD1-CB 4.33Å; F198-F280 AromaticContact CD1-CD2 3.71Å; F198-F280 HydrophobicContact CD1-CD2 3.71Å; F198-F280 HydrophobicContact CD1-CE2 4.48Å; F198-F280 HydrophobicContact CD1-CG 4.31Å; F198-F280 AromaticContact CE1-CD2 3.32Å; F198-F280 HydrophobicContact CE1-CD2 3.32Å; F198-F280 AromaticContact CE1-CE2 3.7Å; F198-F280 HydrophobicContact CE1-CE2 3.7Å; F198-F280 HydrophobicContact CE1-CG 4.03Å; F198-F280 HydrophobicContact CZ-CD2 4.16Å; F198-F280 HydrophobicContact CZ-CE2 4.13Å; L200-F280 VanDerWaalsContact CD2-O 3.25Å; L200-F280 WeakPolarHBondContact CD2-O 3.41Å; F280-Q284 HydrophobicContact CD1-CB 3.98Å |
| 281 | R | 86.4 | Confident | 90.4 | Very high | 157 Ų | 157 | 74.8 Ų | 74.8 | 59% | 0.592 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 146.5 | 163.2 | -179 | 173.3 | 163.1 | 167.1 | -2.2 | 109.7 | D283 Q284 L285 | R281-D283 VanDerWaalsContact C-N 3.28Å; R281-D283 IonicContact CZ-OD2 2.91Å; R281-D283 IonicContact NE-OD2 3.43Å; R281-D283 PolarHBondContact NE-OD2 3.38Å; R281-D283 IonicContact NH2-OD2 2.74Å; R281-D283 PolarHBondContact NH2-OD2 2.91Å; R281-D283 PolarHBondContact O-N 3.33Å; R281-Q284 HydrophobicContact CB-CG 4.25Å; R281-Q284 WeakPolarHBondContact O-CB 3.37Å; R281-Q284 PolarHBondContact O-N 3.42Å; R281-L285 PolarHBondContact O-N 2.92Å; R281-L285 VanDerWaalsContact O-N 3.14Å |
| 282 | Y | 84.5 | Confident | 90.5 | Very high | 55 Ų | 55 | 78.3 Ų | 78.3 | 22% | 0.216 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -47.3 | -47.1 | 177.1 | 173.9 | -93.2 | 0 | 0 | 0 | 113.4 | R134 A137 L200 Q284 L285 M286 | R134-Y282 HydrophobicContact CG-CD2 4.31Å; A137-Y282 HydrophobicContact CB-CE2 3.95Å; A137-Y282 WeakPolarHBondContact CB-OH 3.33Å; L200-Y282 HydrophobicContact CD1-CD2 4Å; Y282-Q284 VanDerWaalsContact C-N 3.27Å; Y282-Q284 PolarHBondContact O-N 3.18Å; Y282-L285 PolarHBondContact O-N 3.48Å; Y282-M286 HydrophobicContact CD1-CG 4.37Å; Y282-M286 HydrophobicContact CE1-CG 3.89Å; Y282-M286 HydrophobicContact CE2-CG 4.2Å; Y282-M286 HydrophobicContact CE2-SD 4.35Å; Y282-M286 WeakPolarHBondContact O-CG 3.46Å; Y282-M286 PolarHBondContact O-N 3.49Å |
| 283 | D | 87.5 | Confident | 90.6 | Very high | 80 Ų | 80 | 72.4 Ų | 72.4 | 43% | 0.428 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.5 | -33.7 | 179.9 | -54.3 | -35.1 | 0 | 0 | 0 | 113 | R281 H287 | R281-D283 VanDerWaalsContact C-N 3.28Å; R281-D283 IonicContact CZ-OD2 2.91Å; R281-D283 IonicContact NE-OD2 3.43Å; R281-D283 PolarHBondContact NE-OD2 3.38Å; R281-D283 IonicContact NH2-OD2 2.74Å; R281-D283 PolarHBondContact NH2-OD2 2.91Å; R281-D283 PolarHBondContact O-N 3.33Å; D283-H287 WeakPolarHBondContact O-CB 3.26Å; D283-H287 PolarHBondContact O-N 3.29Å |
| 284 | Q | 90.8 | Very high | 90.6 | Very high | 106 Ų | 106 | 73 Ų | 73 | 50% | 0.495 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -73 | -38.4 | 179 | -65.7 | 172.7 | -22.6 | 0 | 0 | 111.4 | F280 R281 Y282 M286 H287 L288 | F280-Q284 HydrophobicContact CD1-CB 3.98Å; R281-Q284 HydrophobicContact CB-CG 4.25Å; R281-Q284 WeakPolarHBondContact O-CB 3.37Å; R281-Q284 PolarHBondContact O-N 3.42Å; Y282-Q284 VanDerWaalsContact C-N 3.27Å; Y282-Q284 PolarHBondContact O-N 3.18Å; Q284-M286 VanDerWaalsContact C-N 3.35Å; Q284-H287 PolarHBondContact O-N 3.4Å; Q284-L288 WeakPolarHBondContact O-CB 3.37Å; Q284-L288 PolarHBondContact O-N 2.91Å |
| 285 | L | 89.4 | Confident | 90.9 | Very high | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 172.4 | 175.8 | 151.7 | 0 | 0 | 0 | 110.4 | Q138 F198 L200 R281 Y282 H287 L288 L289 | Q138-L285 HydrophobicContact CG-CD1 3.81Å; Q138-L285 HydrophobicContact CG-CD2 4.04Å; F198-L285 HydrophobicContact CB-CD1 3.86Å; F198-L285 HydrophobicContact CD1-CD1 3.6Å; F198-L285 HydrophobicContact CD1-CG 4.32Å; F198-L285 HydrophobicContact CE1-CD1 4.4Å; F198-L285 HydrophobicContact CG-CD1 3.95Å; L200-L285 HydrophobicContact CD1-CB 4.25Å; L200-L285 HydrophobicContact CD1-CD1 3.81Å; L200-L285 HydrophobicContact CD1-CG 4.49Å; R281-L285 PolarHBondContact O-N 2.92Å; R281-L285 VanDerWaalsContact O-N 3.14Å; Y282-L285 PolarHBondContact O-N 3.48Å; L285-H287 VanDerWaalsContact C-N 3.31Å; L285-H287 PolarHBondContact O-N 3.35Å; L285-L288 WeakPolarHBondContact O-CB 3.46Å; L285-L288 PolarHBondContact O-N 3.35Å; L285-L288 VanDerWaalsContact O-N 3.17Å; L285-L289 HydrophobicContact CD2-CD1 3.62Å; L285-L289 HydrophobicContact CG-CD1 4.15Å; L285-L289 PolarHBondContact O-N 3.37Å |
| 286 | M | 91.2 | Very high | 91.3 | Very high | 43 Ų | 43 | 75 Ų | 75 | 21% | 0.212 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 178.7 | -64.9 | -59 | -78.4 | 0 | 0 | 111 | Y282 Q284 L288 W290 | Y282-M286 HydrophobicContact CD1-CG 4.37Å; Y282-M286 HydrophobicContact CE1-CG 3.89Å; Y282-M286 HydrophobicContact CE2-CG 4.2Å; Y282-M286 HydrophobicContact CE2-SD 4.35Å; Y282-M286 WeakPolarHBondContact O-CG 3.46Å; Y282-M286 PolarHBondContact O-N 3.49Å; Q284-M286 VanDerWaalsContact C-N 3.35Å; M286-L288 PolarHBondContact O-N 3.49Å; M286-W290 WeakPolarHBondContact O-CB 3.46Å; M286-W290 VanDerWaalsContact O-CD1 3.25Å; M286-W290 PolarHBondContact O-N 3.04Å |
| 287 | H | 93.3 | Very high | 91.5 | Very high | 83 Ų | 83 | 72.3 Ų | 72.3 | 38% | 0.384 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 174.7 | -168.6 | -67.4 | 0 | 0 | 0 | 112.6 | D283 Q284 L285 K291 | D283-H287 WeakPolarHBondContact O-CB 3.26Å; D283-H287 PolarHBondContact O-N 3.29Å; Q284-H287 PolarHBondContact O-N 3.4Å; L285-H287 VanDerWaalsContact C-N 3.31Å; L285-H287 PolarHBondContact O-N 3.35Å; H287-K291 PolarHBondContact CD2-NZ 3.48Å; H287-K291 WeakPolarHBondContact NE2-CD 3.46Å; H287-K291 PolarHBondContact NE2-NZ 2.92Å; H287-K291 WeakPolarHBondContact O-CA 3.33Å; H287-K291 WeakPolarHBondContact O-CB 3.07Å; H287-K291 PolarHBondContact O-N 2.96Å |
| 288 | L | 93.7 | Very high | 91.8 | Very high | 37 Ų | 37 | 69.2 Ų | 69.2 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -59.4 | -51.6 | 178.3 | -178.9 | 72.7 | 0 | 0 | 0 | 110.8 | I187 F198 Q284 L285 M286 N292 F293 | I187-L288 HydrophobicContact CG2-CD2 4.33Å; F198-L288 HydrophobicContact CE1-CD2 4.1Å; F198-L288 HydrophobicContact CZ-CD2 3.98Å; Q284-L288 WeakPolarHBondContact O-CB 3.37Å; Q284-L288 PolarHBondContact O-N 2.91Å; L285-L288 WeakPolarHBondContact O-CB 3.46Å; L285-L288 PolarHBondContact O-N 3.35Å; L285-L288 VanDerWaalsContact O-N 3.17Å; M286-L288 PolarHBondContact O-N 3.49Å; L288-N292 HydrophobicContact CD1-CB 4.49Å; L288-N292 WeakPolarHBondContact O-CA 3.41Å; L288-N292 VanDerWaalsContact O-CB 3.26Å; L288-N292 WeakPolarHBondContact O-CB 3.25Å; L288-N292 PolarHBondContact O-N 3.01Å; L288-N292 VanDerWaalsContact O-N 3.16Å; L288-F293 HydrophobicContact CD1-CE1 4.01Å; L288-F293 HydrophobicContact CD1-CZ 4.26Å; L288-F293 HydrophobicContact CD2-CE2 4.4Å; L288-F293 HydrophobicContact CD2-CZ 4.18Å; L288-F293 HydrophobicContact CG-CE1 4.22Å; L288-F293 HydrophobicContact CG-CE2 4.44Å; L288-F293 HydrophobicContact CG-CZ 4.13Å; L288-F293 PolarHBondContact O-N 3.22Å |
| 289 | L | 92.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -69.8 | -49 | -176.2 | -66.8 | 171.8 | 0 | 0 | 0 | 111.8 | S141 L285 F293 L294 | S141-L289 WeakPolarHBondContact OG-CD1 3.31Å; L285-L289 HydrophobicContact CD2-CD1 3.62Å; L285-L289 HydrophobicContact CG-CD1 4.15Å; L285-L289 PolarHBondContact O-N 3.37Å; L289-F293 HydrophobicContact CD2-CD2 3.63Å; L289-F293 HydrophobicContact CD2-CE2 4.15Å; L289-F293 HydrophobicContact CD2-CG 4.5Å; L289-F293 PolarHBondContact O-N 3.26Å; L289-L294 WeakPolarHBondContact O-CB 3.05Å; L289-L294 PolarHBondContact O-N 2.68Å |
| 290 | W | 94.4 | Very high | 92.6 | Very high | 119 Ų | 119 | 64.3 Ų | 64.3 | 45% | 0.451 | 31% | 0.313 | S | S | . | . | I | π-helix | trans | -79.4 | -37.7 | -173 | -74.1 | 90.7 | 0 | 0 | 0 | 114.2 | M286 L294 | M286-W290 WeakPolarHBondContact O-CB 3.46Å; M286-W290 VanDerWaalsContact O-CD1 3.25Å; M286-W290 PolarHBondContact O-N 3.04Å; W290-L294 HydrophobicContact CE3-CD2 4Å; W290-L294 HydrophobicContact CZ3-CD2 4.26Å; W290-L294 WeakPolarHBondContact O-CB 3.42Å |
| 291 | K | 93.4 | Very high | 93.1 | Very high | 135 Ų | 135 | 62 Ų | 62 | 59% | 0.587 | 30% | 0.304 | S | S | * | . | I | π-helix | trans | -100.3 | -24.8 | -175 | -54.4 | -154.8 | -155.1 | 159.5 | 0 | 113.8 | H287 P295 | H287-K291 PolarHBondContact CD2-NZ 3.48Å; H287-K291 WeakPolarHBondContact NE2-CD 3.46Å; H287-K291 PolarHBondContact NE2-NZ 2.92Å; H287-K291 WeakPolarHBondContact O-CA 3.33Å; H287-K291 WeakPolarHBondContact O-CB 3.07Å; H287-K291 PolarHBondContact O-N 2.96Å; K291-P295 WeakPolarHBondContact O-CG 3.47Å |
| 292 | N | 94.4 | Very high | 93.5 | Very high | 82 Ų | 82 | 61 Ų | 61 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -103.4 | -55.6 | 179.8 | -55.1 | -8.4 | 0 | 0 | 0 | 111.1 | L288 L296 | L288-N292 HydrophobicContact CD1-CB 4.49Å; L288-N292 WeakPolarHBondContact O-CA 3.41Å; L288-N292 VanDerWaalsContact O-CB 3.26Å; L288-N292 WeakPolarHBondContact O-CB 3.25Å; L288-N292 PolarHBondContact O-N 3.01Å; L288-N292 VanDerWaalsContact O-N 3.16Å; N292-L296 WeakPolarHBondContact O-CB 3.33Å |
| 293 | F | 94.2 | Very high | 94.1 | Very high | 17 Ų | 17 | 65.1 Ų | 65.1 | 8% | 0.075 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -74.8 | -44.6 | -174.4 | -71.4 | 2.5 | 0 | 0 | 0 | 112.8 | T145 M184 I187 L288 L289 L296 T297 | T145-F293 HydrophobicContact CG2-CB 4.04Å; M184-F293 HydrophobicContact CG-CD1 4.18Å; M184-F293 HydrophobicContact CG-CE1 4.2Å; M184-F293 HydrophobicContact CG-CG 4.44Å; M184-F293 HydrophobicContact CG-CZ 4.48Å; M184-F293 HydrophobicContact SD-CB 4.47Å; M184-F293 HydrophobicContact SD-CD1 4.19Å; M184-F293 HydrophobicContact SD-CG 4.34Å; I187-F293 HydrophobicContact CB-CE2 3.87Å; I187-F293 HydrophobicContact CB-CZ 3.89Å; I187-F293 HydrophobicContact CD1-CZ 3.73Å; I187-F293 HydrophobicContact CG1-CZ 4.42Å; I187-F293 HydrophobicContact CG2-CE2 3.64Å; I187-F293 HydrophobicContact CG2-CZ 3.69Å; L288-F293 HydrophobicContact CD1-CE1 4.01Å; L288-F293 HydrophobicContact CD1-CZ 4.26Å; L288-F293 HydrophobicContact CD2-CE2 4.4Å; L288-F293 HydrophobicContact CD2-CZ 4.18Å; L288-F293 HydrophobicContact CG-CE1 4.22Å; L288-F293 HydrophobicContact CG-CE2 4.44Å; L288-F293 HydrophobicContact CG-CZ 4.13Å; L288-F293 PolarHBondContact O-N 3.22Å; L289-F293 HydrophobicContact CD2-CD2 3.63Å; L289-F293 HydrophobicContact CD2-CE2 4.15Å; L289-F293 HydrophobicContact CD2-CG 4.5Å; L289-F293 PolarHBondContact O-N 3.26Å; F293-L296 PolarHBondContact O-N 2.82Å; F293-T297 WeakPolarHBondContact O-CB 3.47Å; F293-T297 VanDerWaalsContact O-CG2 3.25Å; F293-T297 WeakPolarHBondContact O-CG2 3.34Å; F293-T297 PolarHBondContact O-N 2.79Å; F293-T297 PolarHBondContact O-OG1 3.25Å |
| 294 | L | 94.3 | Very high | 94.4 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 18% | 0.183 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.5 | -48.7 | -177.1 | -170.9 | 80.2 | 0 | 0 | 0 | 112.7 | V144 T145 I148 L289 W290 L296 T297 L298 | V144-L294 HydrophobicContact CG1-CD1 3.68Å; T145-L294 HydrophobicContact CG2-CD1 4.4Å; I148-L294 HydrophobicContact CD1-CD1 3.97Å; L289-L294 WeakPolarHBondContact O-CB 3.05Å; L289-L294 PolarHBondContact O-N 2.68Å; W290-L294 HydrophobicContact CE3-CD2 4Å; W290-L294 HydrophobicContact CZ3-CD2 4.26Å; W290-L294 WeakPolarHBondContact O-CB 3.42Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 2.81Å; L294-T297 WeakPolarHBondContact CA-OG1 3.49Å; L294-T297 PolarHBondContact O-N 3.32Å; L294-T297 PolarHBondContact O-OG1 2.94Å; L294-L298 HydrophobicContact CG-CD1 4.18Å; L294-L298 WeakPolarHBondContact O-CB 3.39Å; L294-L298 WeakPolarHBondContact O-CG 3.37Å; L294-L298 PolarHBondContact O-N 3.19Å |
| 295 | P | 96.5 | Very high | 94.6 | Very high | 70 Ų | 70 | 59.7 Ų | 59.7 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 178.4 | -23.2 | 36.9 | 0 | 0 | 0 | 112.7 | K291 A299 | K291-P295 WeakPolarHBondContact O-CG 3.47Å; P295-A299 WeakPolarHBondContact O-CB 3.5Å; P295-A299 PolarHBondContact O-N 2.93Å |
| 296 | L | 96.6 | Very high | 94.9 | Very high | 84 Ų | 84 | 62 Ų | 62 | 44% | 0.44 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70 | -42.2 | -179.8 | -175.3 | 61.3 | 0 | 0 | 0 | 112.1 | M184 N292 F293 L294 A299 L300 | M184-L296 HydrophobicContact CE-CD2 4.19Å; M184-L296 HydrophobicContact CE-CG 4.15Å; M184-L296 HydrophobicContact SD-CB 4.19Å; M184-L296 HydrophobicContact SD-CD2 3.63Å; M184-L296 HydrophobicContact SD-CG 3.97Å; N292-L296 WeakPolarHBondContact O-CB 3.33Å; F293-L296 PolarHBondContact O-N 2.82Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 2.81Å; L296-A299 PolarHBondContact O-N 3.45Å; L296-L300 HydrophobicContact CD1-CD1 4.38Å; L296-L300 HydrophobicContact CG-CD1 4.08Å; L296-L300 WeakPolarHBondContact O-CB 3.46Å; L296-L300 VanDerWaalsContact O-CG 3.31Å; L296-L300 WeakPolarHBondContact O-CG 3.22Å; L296-L300 PolarHBondContact O-N 3.47Å |
| 297 | T | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 176.8 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | I149 M184 F293 L294 L300 L301 | I149-T297 HydrophobicContact CD1-CG2 3.84Å; I149-T297 HydrophobicContact CG1-CG2 3.49Å; I149-T297 VanDerWaalsContact CG1-CG2 3.49Å; M184-T297 HydrophobicContact CE-CG2 3.55Å; M184-T297 HydrophobicContact SD-CG2 3.71Å; F293-T297 WeakPolarHBondContact O-CB 3.47Å; F293-T297 VanDerWaalsContact O-CG2 3.25Å; F293-T297 WeakPolarHBondContact O-CG2 3.34Å; F293-T297 PolarHBondContact O-N 2.79Å; F293-T297 PolarHBondContact O-OG1 3.25Å; L294-T297 WeakPolarHBondContact CA-OG1 3.49Å; L294-T297 PolarHBondContact O-N 3.32Å; L294-T297 PolarHBondContact O-OG1 2.94Å; T297-L300 PolarHBondContact O-N 2.89Å; T297-L301 WeakPolarHBondContact O-CB 3.38Å; T297-L301 PolarHBondContact O-N 3.4Å |
| 298 | L | 95.9 | Very high | 95 | Very high | 81 Ų | 81 | 58.3 Ų | 58.3 | 42% | 0.424 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 172.4 | -73.2 | 170.6 | 0 | 0 | 0 | 112.2 | I148 L294 L300 L301 M302 | I148-L298 HydrophobicContact CD1-CD2 4.16Å; L294-L298 HydrophobicContact CG-CD1 4.18Å; L294-L298 WeakPolarHBondContact O-CB 3.39Å; L294-L298 WeakPolarHBondContact O-CG 3.37Å; L294-L298 PolarHBondContact O-N 3.19Å; L298-L300 VanDerWaalsContact C-N 3.31Å; L298-L300 PolarHBondContact O-N 2.85Å; L298-L301 WeakPolarHBondContact O-CB 3.46Å; L298-L301 PolarHBondContact O-N 3.03Å; L298-M302 WeakPolarHBondContact O-CG 3.47Å; L298-M302 PolarHBondContact O-N 3.3Å; L298-M302 VanDerWaalsContact O-N 3.11Å |
| 299 | A | 96.8 | Very high | 95.1 | Very high | 61 Ų | 61 | 61.7 Ų | 61.7 | 50% | 0.504 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P295 L296 M302 W303 | P295-A299 WeakPolarHBondContact O-CB 3.5Å; P295-A299 PolarHBondContact O-N 2.93Å; L296-A299 PolarHBondContact O-N 3.45Å; A299-M302 PolarHBondContact O-N 3.26Å; A299-W303 PolarHBondContact O-N 3.27Å; A299-W303 VanDerWaalsContact O-N 3.11Å |
| 300 | L | 95.9 | Very high | 95.2 | Very high | 24 Ų | 24 | 66.9 Ų | 66.9 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 175.9 | -71.9 | 168 | 0 | 0 | 0 | 111.8 | P180 L181 M184 L296 T297 L298 M302 W303 Y304 | P180-L300 HydrophobicContact CB-CD1 3.95Å; L181-L300 HydrophobicContact CD2-CB 3.95Å; L181-L300 HydrophobicContact CD2-CD1 3.74Å; L181-L300 HydrophobicContact CD2-CG 4.48Å; L181-L300 HydrophobicContact CG-CD1 4.14Å; M184-L300 HydrophobicContact CE-CD1 3.39Å; L296-L300 HydrophobicContact CD1-CD1 4.38Å; L296-L300 HydrophobicContact CG-CD1 4.08Å; L296-L300 WeakPolarHBondContact O-CB 3.46Å; L296-L300 VanDerWaalsContact O-CG 3.31Å; L296-L300 WeakPolarHBondContact O-CG 3.22Å; L296-L300 PolarHBondContact O-N 3.47Å; T297-L300 PolarHBondContact O-N 2.89Å; L298-L300 VanDerWaalsContact C-N 3.31Å; L298-L300 PolarHBondContact O-N 2.85Å; L300-M302 VanDerWaalsContact C-N 3.3Å; L300-M302 PolarHBondContact O-N 3.07Å; L300-W303 CarbonylContact O-C 3.57Å; L300-W303 WeakPolarHBondContact O-CA 3.48Å; L300-W303 VanDerWaalsContact O-CB 3.32Å; L300-W303 WeakPolarHBondContact O-CB 2.98Å; L300-W303 PolarHBondContact O-N 2.83Å; L300-Y304 HydrophobicContact CB-CD2 4.25Å; L300-Y304 HydrophobicContact CB-CE2 4.13Å; L300-Y304 HydrophobicContact CD2-CE2 4.15Å; L300-Y304 WeakPolarHBondContact O-CD2 3.28Å; L300-Y304 PolarHBondContact O-N 3.36Å |
| 301 | L | 96.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 66 Ų | 66 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.6 | -47.6 | 174.2 | -177.4 | 73.4 | 0 | 0 | 0 | 110.8 | I148 L151 L155 T297 L298 W303 Y304 V305 | I148-L301 HydrophobicContact CG2-CB 4.15Å; I148-L301 HydrophobicContact CG2-CD2 4.28Å; L151-L301 HydrophobicContact CB-CD1 4.41Å; L151-L301 HydrophobicContact CD2-CD1 3.82Å; L151-L301 HydrophobicContact CD2-CD2 4.5Å; L151-L301 HydrophobicContact CG-CD1 4.05Å; L155-L301 HydrophobicContact CD1-CD1 4.34Å; T297-L301 WeakPolarHBondContact O-CB 3.38Å; T297-L301 PolarHBondContact O-N 3.4Å; L298-L301 WeakPolarHBondContact O-CB 3.46Å; L298-L301 PolarHBondContact O-N 3.03Å; L301-W303 VanDerWaalsContact C-N 3.27Å; L301-W303 PolarHBondContact O-N 3.23Å; L301-Y304 PolarHBondContact O-N 3.06Å; L301-V305 VanDerWaalsContact O-CG2 3.3Å; L301-V305 WeakPolarHBondContact O-CG2 3.32Å; L301-V305 PolarHBondContact O-N 3.35Å |
| 302 | M | 96.3 | Very high | 95.2 | Very high | 134 Ų | 134 | 65 Ų | 65 | 66% | 0.66 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.5 | -37 | 176.8 | -64.8 | -60 | -70.6 | 0 | 0 | 112.3 | L298 A299 L300 S306 | L298-M302 WeakPolarHBondContact O-CG 3.47Å; L298-M302 PolarHBondContact O-N 3.3Å; L298-M302 VanDerWaalsContact O-N 3.11Å; A299-M302 PolarHBondContact O-N 3.26Å; L300-M302 VanDerWaalsContact C-N 3.3Å; L300-M302 PolarHBondContact O-N 3.07Å; M302-S306 WeakPolarHBondContact O-CB 3.44Å; M302-S306 PolarHBondContact O-N 3.26Å; M302-S306 VanDerWaalsContact O-N 3.09Å; M302-S306 PolarHBondContact O-OG 3.45Å |
| 303 | W | 95.4 | Very high | 95.1 | Very high | 143 Ų | 143 | 64 Ų | 64 | 54% | 0.542 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 173.3 | 176.7 | -97.1 | 0 | 0 | 0 | 112.2 | A299 L300 L301 V305 S306 M307 | A299-W303 PolarHBondContact O-N 3.27Å; A299-W303 VanDerWaalsContact O-N 3.11Å; L300-W303 CarbonylContact O-C 3.57Å; L300-W303 WeakPolarHBondContact O-CA 3.48Å; L300-W303 VanDerWaalsContact O-CB 3.32Å; L300-W303 WeakPolarHBondContact O-CB 2.98Å; L300-W303 PolarHBondContact O-N 2.83Å; L301-W303 VanDerWaalsContact C-N 3.27Å; L301-W303 PolarHBondContact O-N 3.23Å; W303-V305 VanDerWaalsContact C-N 3.28Å; W303-V305 PolarHBondContact O-N 2.82Å; W303-S306 PolarHBondContact O-N 3.12Å; W303-S306 PolarHBondContact O-OG 3.18Å; W303-S306 VanDerWaalsContact O-OG 3.12Å; W303-M307 HydrophobicContact CZ2-CB 4.43Å; W303-M307 HydrophobicContact CZ2-CG 4.21Å; W303-M307 VanDerWaalsContact O-CB 3.25Å; W303-M307 WeakPolarHBondContact O-CB 3.3Å; W303-M307 PolarHBondContact O-N 3.39Å |
| 304 | Y | 94.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 68.7 Ų | 68.7 | 2% | 0.02 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.1 | -19.9 | -179.6 | -73 | -73.7 | 0 | 0 | 0 | 113.9 | M156 P177 S178 L181 L300 L301 P308 | M156-Y304 HydrophobicContact CG-CD1 4.14Å; M156-Y304 HydrophobicContact SD-CD1 3.99Å; M156-Y304 HydrophobicContact SD-CE1 3.75Å; P177-Y304 PolarHBondContact O-OH 3.11Å; S178-Y304 VanDerWaalsContact CA-OH 3.26Å; S178-Y304 WeakPolarHBondContact CA-OH 3.49Å; L181-Y304 HydrophobicContact CD1-CD2 3.57Å; L181-Y304 HydrophobicContact CD1-CE1 4.47Å; L181-Y304 HydrophobicContact CD1-CE2 3.15Å; L181-Y304 HydrophobicContact CD1-CG 4.44Å; L181-Y304 HydrophobicContact CG-CD2 4.48Å; L181-Y304 HydrophobicContact CG-CE2 3.81Å; L300-Y304 HydrophobicContact CB-CD2 4.25Å; L300-Y304 HydrophobicContact CB-CE2 4.13Å; L300-Y304 HydrophobicContact CD2-CE2 4.15Å; L300-Y304 WeakPolarHBondContact O-CD2 3.28Å; L300-Y304 PolarHBondContact O-N 3.36Å; L301-Y304 PolarHBondContact O-N 3.06Å; Y304-P308 WeakPolarHBondContact O-CD 3.48Å; Y304-P308 VanDerWaalsContact O-CG 3.28Å; Y304-P308 WeakPolarHBondContact O-CG 3.44Å |
| 305 | V | 95.3 | Very high | 95 | Very high | 67 Ų | 67 | 68.2 Ų | 68.2 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -73.7 | -46 | 167.7 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | L155 L301 W303 I309 | L155-V305 HydrophobicContact CD1-CB 4.38Å; L155-V305 HydrophobicContact CD1-CG2 3.48Å; L155-V305 VanDerWaalsContact CD1-CG2 3.48Å; L301-V305 VanDerWaalsContact O-CG2 3.3Å; L301-V305 WeakPolarHBondContact O-CG2 3.32Å; L301-V305 PolarHBondContact O-N 3.35Å; W303-V305 VanDerWaalsContact C-N 3.28Å; W303-V305 PolarHBondContact O-N 2.82Å; V305-I309 VanDerWaalsContact O-CD1 3.27Å; V305-I309 WeakPolarHBondContact O-CD1 3.25Å; V305-I309 WeakPolarHBondContact O-CG1 3.48Å |
| 306 | S | 95.7 | Very high | 94.8 | Very high | 50 Ų | 50 | 69.4 Ų | 69.4 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -79 | -37.8 | -173.5 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | M302 W303 I309 T310 | M302-S306 WeakPolarHBondContact O-CB 3.44Å; M302-S306 PolarHBondContact O-N 3.26Å; M302-S306 VanDerWaalsContact O-N 3.09Å; M302-S306 PolarHBondContact O-OG 3.45Å; W303-S306 PolarHBondContact O-N 3.12Å; W303-S306 PolarHBondContact O-OG 3.18Å; W303-S306 VanDerWaalsContact O-OG 3.12Å; S306-I309 WeakPolarHBondContact O-CB 3.44Å; S306-I309 PolarHBondContact O-N 3.36Å; S306-T310 WeakPolarHBondContact O-CG2 3.48Å; S306-T310 PolarHBondContact O-N 3.32Å; S306-T310 PolarHBondContact O-OG1 3.18Å |
| 307 | M | 94 | Very high | 94.3 | Very high | 37 Ų | 37 | 73.4 Ų | 73.4 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.9 | -46.4 | -173 | -178.4 | -84.8 | -104.4 | 0 | 0 | 113.9 | W303 I309 T310 I311 | W303-M307 HydrophobicContact CZ2-CB 4.43Å; W303-M307 HydrophobicContact CZ2-CG 4.21Å; W303-M307 VanDerWaalsContact O-CB 3.25Å; W303-M307 WeakPolarHBondContact O-CB 3.3Å; W303-M307 PolarHBondContact O-N 3.39Å; M307-I309 PolarHBondContact O-N 3Å; M307-T310 PolarHBondContact O-N 3.09Å; M307-T310 PolarHBondContact O-OG1 2.92Å; M307-I311 HydrophobicContact CG-CD1 3.75Å; M307-I311 HydrophobicContact CG-CG1 4.49Å; M307-I311 WeakPolarHBondContact O-CG1 3.27Å; M307-I311 PolarHBondContact O-N 3.11Å; M307-I311 HydrophobicContact SD-CD1 3.71Å |
| 308 | P | 92.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 82 Ų | 82 | 7% | 0.065 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.3 | -31.1 | 176.1 | -23.7 | 35.1 | 0 | 0 | 0 | 113.1 | Y304 S312 S313 I314 | Y304-P308 WeakPolarHBondContact O-CD 3.48Å; Y304-P308 VanDerWaalsContact O-CG 3.28Å; Y304-P308 WeakPolarHBondContact O-CG 3.44Å; P308-S312 CarbonylContact O-C 3.56Å; P308-S312 WeakPolarHBondContact O-CA 3.46Å; P308-S312 PolarHBondContact O-N 3.4Å; P308-S313 PolarHBondContact O-N 3.17Å; P308-I314 HydrophobicContact CB-CG1 4.3Å |
| 309 | I | 94.9 | Very high | 93.3 | Very high | 109 Ų | 109 | 82 Ų | 82 | 56% | 0.559 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -72 | -45.8 | 178.3 | -58.3 | 171.2 | 0 | 0 | 0 | 110.3 | V305 S306 M307 S312 I314 | V305-I309 VanDerWaalsContact O-CD1 3.27Å; V305-I309 WeakPolarHBondContact O-CD1 3.25Å; V305-I309 WeakPolarHBondContact O-CG1 3.48Å; S306-I309 WeakPolarHBondContact O-CB 3.44Å; S306-I309 PolarHBondContact O-N 3.36Å; M307-I309 PolarHBondContact O-N 3Å; I309-S312 PolarHBondContact O-N 2.99Å; I309-I314 HydrophobicContact CG1-CD1 4.29Å |
| 310 | T | 95.3 | Very high | 93.1 | Very high | 111 Ų | 111 | 83.1 Ų | 83.1 | 68% | 0.681 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.9 | -33.8 | -177.5 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | S306 M307 S312 | S306-T310 WeakPolarHBondContact O-CG2 3.48Å; S306-T310 PolarHBondContact O-N 3.32Å; S306-T310 PolarHBondContact O-OG1 3.18Å; M307-T310 PolarHBondContact O-N 3.09Å; M307-T310 PolarHBondContact O-OG1 2.92Å; T310-S312 VanDerWaalsContact C-N 3.32Å |
| 311 | I | 94.3 | Very high | 93 | Very high | 102 Ų | 102 | 86.4 Ų | 86.4 | 52% | 0.523 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -0.4 | 179.5 | -55.5 | 178.6 | 0 | 0 | 0 | 111.3 | M307 S313 | M307-I311 HydrophobicContact CG-CD1 3.75Å; M307-I311 HydrophobicContact CG-CG1 4.49Å; M307-I311 WeakPolarHBondContact O-CG1 3.27Å; M307-I311 PolarHBondContact O-N 3.11Å; M307-I311 HydrophobicContact SD-CD1 3.71Å; I311-S313 PolarHBondContact O-N 2.83Å |
| 312 | S | 92.8 | Very high | 92.8 | Very high | 113 Ų | 113 | 89.7 Ų | 89.7 | 79% | 0.79 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 33.5 | -173.8 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | P308 I309 T310 | P308-S312 CarbonylContact O-C 3.56Å; P308-S312 WeakPolarHBondContact O-CA 3.46Å; P308-S312 PolarHBondContact O-N 3.4Å; I309-S312 PolarHBondContact O-N 2.99Å; T310-S312 VanDerWaalsContact C-N 3.32Å |
| 313 | S | 92.8 | Very high | 92.5 | Very high | 60 Ų | 60 | 86.9 Ų | 86.9 | 42% | 0.42 | 49% | 0.487 | S | S | . | . | trans | -109.7 | 38.9 | -177.5 | 69.7 | 0 | 0 | 0 | 0 | 111.8 | P308 I311 | P308-S313 PolarHBondContact O-N 3.17Å; I311-S313 PolarHBondContact O-N 2.83Å | ||
| 314 | I | 93.4 | Very high | 92.3 | Very high | 117 Ų | 117 | 83.2 Ų | 83.2 | 60% | 0.6 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 122.8 | 177.1 | -59.4 | 174 | 0 | 0 | 0 | 108.1 | P308 I309 | P308-I314 HydrophobicContact CB-CG1 4.3Å; I309-I314 HydrophobicContact CG1-CD1 4.29Å |
| 315 | P | 92.6 | Very high | 92.2 | Very high | 25 Ų | 25 | 88.8 Ų | 88.8 | 16% | 0.162 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 152.8 | -179.6 | 29.8 | -36.9 | 0 | 0 | 0 | 111.6 | L155 M156 | L155-P315 WeakPolarHBondContact O-CD 3.46Å; L155-P315 VanDerWaalsContact O-CG 3.22Å; L155-P315 WeakPolarHBondContact O-CG 3.46Å; M156-P315 WeakPolarHBondContact O-CB 3.15Å |
| 316 | P | 92.1 | Very high | 91.9 | Very high | 94 Ų | 94 | 90.5 Ų | 90.5 | 61% | 0.61 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 150.7 | 175.5 | 30.4 | -35 | 0 | 0 | 0 | 111.3 | ||
| 317 | Q | 86.3 | Confident | 91.6 | Very high | 169 Ų | 169 | 93.8 Ų | 93.8 | 79% | 0.79 | 54% | 0.54 | S | S | * | . | trans | -82.8 | -18 | 174.2 | -68.9 | -177.6 | -10 | 0 | 0 | 113.1 | ||||
| 318 | T | 78.1 | Confident | 91.4 | Very high | 179 Ų | 179 | 99 Ų | 99 | 100% | 1.098 | 57% | 0.573 | S | S | * | * | trans | -127.1 | 0 | -174.7 | 56.5 | 0 | 0 | 0 | 0 | 111.2 |
Retrieved 318 of 318 residues in 195.2 ms
(Link to these results)