| 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 | 53.3 | Low | 83.2 | Confident | 181 Ų | 181 | 87.1 Ų | 87.1 | 89% | 0.892 | 43% | 0.433 | S | S | * | . | 0 | 129 | 0 | -86.4 | 178 | 176.8 | 0 | 0 | 108.4 | R3 Y97 | M1-R3 PolarHBondContact O-N 2.9Å; M1-Y97 WeakPolarHBondContact CE-O 3.45Å | |||
| 2 | P | 56.2 | Low | 84.3 | Confident | 112 Ų | 112 | 82.3 Ų | 82.3 | 73% | 0.727 | 42% | 0.421 | S | S | * | . | trans | -65.8 | 106.3 | 169.5 | 26.1 | -28.8 | 0 | 0 | 0 | 107.7 | T4 | P2-T4 VanDerWaalsContact C-N 3.29Å; P2-T4 HydrophobicContact CB-CG2 4.49Å; P2-T4 PolarHBondContact O-N 2.96Å | ||
| 3 | R | 68.7 | Low | 85.2 | Confident | 200 Ų | 200 | 79 Ų | 79 | 76% | 0.755 | 41% | 0.405 | S | S | * | . | trans | -71.8 | 86.8 | 172.5 | -82.2 | 163.9 | 162.6 | -157 | 8.8 | 107 | M1 Y8 | M1-R3 PolarHBondContact O-N 2.9Å; R3-Y8 HydrophobicContact CB-CE2 3.65Å; R3-Y8 WeakPolarHBondContact CD-OH 3.38Å; R3-Y8 HydrophobicContact CG-CE2 4.24Å; R3-Y8 WeakPolarHBondContact CG-OH 3.25Å; R3-Y8 PolarHBondContact NE-OH 3.23Å; R3-Y8 PolarHBondContact NH1-OH 3.13Å | ||
| 4 | T | 85.1 | Confident | 86.1 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 21% | 0.209 | 38% | 0.377 | C | S | . | . | trans | -77.6 | 148 | 178 | 62.9 | 0 | 0 | 0 | 0 | 110.3 | P2 V6 R7 Y8 E272 | P2-T4 VanDerWaalsContact C-N 3.29Å; P2-T4 HydrophobicContact CB-CG2 4.49Å; P2-T4 PolarHBondContact O-N 2.96Å; T4-V6 PolarHBondContact O-N 3.47Å; T4-R7 PolarHBondContact O-N 2.96Å; T4-R7 WeakPolarHBondContact OG1-CG 3.41Å; T4-R7 PolarHBondContact OG1-N 3.02Å; T4-Y8 WeakPolarHBondContact O-CD2 3.27Å; T4-Y8 PolarHBondContact O-N 3.42Å; T4-E272 WeakPolarHBondContact CB-OE1 3.45Å; T4-E272 WeakPolarHBondContact CB-OE2 3.08Å; T4-E272 WeakPolarHBondContact CG2-OE2 3.26Å; T4-E272 PolarHBondContact OG1-OE1 2.88Å; T4-E272 PolarHBondContact OG1-OE2 2.93Å | ||
| 5 | N | 90.5 | Very high | 86.8 | Confident | 140 Ų | 140 | 71.1 Ų | 71.1 | 75% | 0.749 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.8 | -32.2 | 176.7 | -68.9 | -17.2 | 0 | 0 | 0 | 111.5 | Y8 A9 | N5-Y8 PolarHBondContact O-N 3.11Å; N5-A9 WeakPolarHBondContact O-CB 3.42Å; N5-A9 PolarHBondContact O-N 3.02Å |
| 6 | V | 92.2 | Very high | 87.3 | Confident | 34 Ų | 34 | 73.1 Ų | 73.1 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 178 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | T4 Y8 A9 F10 L268 V269 E272 | T4-V6 PolarHBondContact O-N 3.47Å; V6-Y8 VanDerWaalsContact C-N 3.33Å; V6-Y8 PolarHBondContact O-N 3.45Å; V6-A9 PolarHBondContact O-N 3.29Å; V6-F10 WeakPolarHBondContact O-CB 3.39Å; V6-F10 PolarHBondContact O-N 3.01Å; V6-L268 HydrophobicContact CG1-CB 3.52Å; V6-L268 HydrophobicContact CG1-CD1 4.39Å; V6-V269 HydrophobicContact CG1-CG2 3.71Å; V6-E272 VanDerWaalsContact CG2-OE1 3.24Å; V6-E272 WeakPolarHBondContact CG2-OE1 3.22Å |
| 7 | R | 91.2 | Very high | 87.9 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 15% | 0.151 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 176.9 | -77 | -176.7 | 172.9 | -102.8 | -4.6 | 112.6 | T4 F10 K11 S96 N98 V269 | T4-R7 PolarHBondContact O-N 2.96Å; T4-R7 WeakPolarHBondContact OG1-CG 3.41Å; T4-R7 PolarHBondContact OG1-N 3.02Å; R7-F10 PolarHBondContact O-N 2.97Å; R7-K11 WeakPolarHBondContact O-CB 3.44Å; R7-K11 PolarHBondContact O-N 3.44Å; R7-S96 PolarHBondContact NH1-O 2.82Å; R7-N98 PolarHBondContact NH1-O 3.43Å; R7-N98 PolarHBondContact NH2-O 3.1Å; R7-V269 HydrophobicContact CG-CG1 4.27Å; R7-V269 HydrophobicContact CG-CG2 4.02Å |
| 8 | Y | 92.9 | Very high | 88.4 | Confident | 108 Ų | 108 | 65.7 Ų | 65.7 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 173.7 | -75.3 | -61.4 | 0 | 0 | 0 | 112.3 | R3 T4 N5 V6 K11 G12 | R3-Y8 HydrophobicContact CB-CE2 3.65Å; R3-Y8 WeakPolarHBondContact CD-OH 3.38Å; R3-Y8 HydrophobicContact CG-CE2 4.24Å; R3-Y8 WeakPolarHBondContact CG-OH 3.25Å; R3-Y8 PolarHBondContact NE-OH 3.23Å; R3-Y8 PolarHBondContact NH1-OH 3.13Å; T4-Y8 WeakPolarHBondContact O-CD2 3.27Å; T4-Y8 PolarHBondContact O-N 3.42Å; N5-Y8 PolarHBondContact O-N 3.11Å; V6-Y8 VanDerWaalsContact C-N 3.33Å; V6-Y8 PolarHBondContact O-N 3.45Å; Y8-K11 PolarHBondContact O-N 3.34Å; Y8-G12 PolarHBondContact O-N 3.02Å |
| 9 | A | 94.7 | Very high | 88.8 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | N5 V6 K11 G12 L13 | N5-A9 WeakPolarHBondContact O-CB 3.42Å; N5-A9 PolarHBondContact O-N 3.02Å; V6-A9 PolarHBondContact O-N 3.29Å; A9-K11 PolarHBondContact O-N 3.31Å; A9-G12 PolarHBondContact O-N 3.41Å; A9-L13 WeakPolarHBondContact O-CB 3.33Å; A9-L13 WeakPolarHBondContact O-CG 3.35Å; A9-L13 PolarHBondContact O-N 3.39Å |
| 10 | F | 95.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 67 Ų | 67 | 0% | 0.004 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 176.6 | -178.9 | -104.5 | 0 | 0 | 0 | 112.1 | V6 R7 N14 G92 I95 F104 Y107 C265 C266 V269 | V6-F10 WeakPolarHBondContact O-CB 3.39Å; V6-F10 PolarHBondContact O-N 3.01Å; R7-F10 PolarHBondContact O-N 2.97Å; F10-N14 WeakPolarHBondContact CE2-ND2 3.49Å; F10-N14 WeakPolarHBondContact CZ-ND2 3.36Å; F10-N14 WeakPolarHBondContact O-CB 3.34Å; F10-N14 PolarHBondContact O-N 3.36Å; F10-N14 VanDerWaalsContact O-N 3.09Å; F10-N14 PolarHBondContact O-ND2 3.02Å; F10-G92 VanDerWaalsContact CE1-O 3.28Å; F10-G92 WeakPolarHBondContact CE1-O 3.47Å; F10-I95 HydrophobicContact CE1-CG1 4.3Å; F10-I95 HydrophobicContact CZ-CD1 4.49Å; F10-F104 HydrophobicContact CD1-CE1 4.24Å; F10-F104 HydrophobicContact CE1-CD1 4.45Å; F10-F104 AromaticContact CE1-CE1 3.82Å; F10-F104 HydrophobicContact CE1-CE1 3.82Å; F10-F104 HydrophobicContact CZ-CD1 4.49Å; F10-F104 HydrophobicContact CZ-CE1 4.29Å; F10-Y107 HydrophobicContact CE2-CD1 4.28Å; F10-Y107 AromaticContact CE2-CE1 3.71Å; F10-Y107 HydrophobicContact CE2-CE1 3.71Å; F10-Y107 HydrophobicContact CZ-CD1 4.09Å; F10-Y107 AromaticContact CZ-CE1 3.82Å; F10-Y107 HydrophobicContact CZ-CE1 3.82Å; F10-Y107 HydrophobicContact CZ-CE2 4.31Å; F10-Y107 HydrophobicContact CZ-CG 4.48Å; F10-Y107 AromaticContact CZ-CZ 3.95Å; F10-C265 HydrophobicContact CB-CB 4.12Å; F10-C265 HydrophobicContact CD2-CB 3.93Å; F10-C266 HydrophobicContact CD2-CB 4.43Å; F10-C266 HydrophobicContact CE2-CB 3.89Å; F10-V269 HydrophobicContact CB-CG2 4.27Å |
| 11 | K | 94.9 | Very high | 89.5 | Confident | 64 Ų | 64 | 63.9 Ų | 63.9 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 176.2 | 178.6 | -178.9 | 165.2 | -180 | 0 | 111.7 | R7 Y8 A9 A15 F93 Y97 | R7-K11 WeakPolarHBondContact O-CB 3.44Å; R7-K11 PolarHBondContact O-N 3.44Å; Y8-K11 PolarHBondContact O-N 3.34Å; A9-K11 PolarHBondContact O-N 3.31Å; K11-A15 WeakPolarHBondContact O-CB 3.27Å; K11-A15 PolarHBondContact O-N 3.43Å; K11-F93 HydrophobicContact CD-CE2 4.09Å; K11-F93 HydrophobicContact CG-CD2 3.75Å; K11-F93 HydrophobicContact CG-CE2 3.61Å; K11-Y97 WeakPolarHBondContact CE-OH 3.3Å; K11-Y97 PolarHBondContact NZ-OH 3.05Å |
| 12 | G | 95.5 | Very high | 91.6 | Very high | 29 Ų | 29 | 59.4 Ų | 59.4 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y8 A9 A15 I16 | Y8-G12 PolarHBondContact O-N 3.02Å; A9-G12 PolarHBondContact O-N 3.41Å; G12-A15 PolarHBondContact O-N 3.26Å; G12-I16 VanDerWaalsContact O-CG1 3.32Å; G12-I16 WeakPolarHBondContact O-CG1 3.44Å; G12-I16 PolarHBondContact O-N 2.91Å |
| 13 | L | 96.4 | Very high | 93.5 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 177.6 | -74.5 | 171.4 | 0 | 0 | 0 | 112.2 | A9 A15 T17 L258 M262 C265 | A9-L13 WeakPolarHBondContact O-CB 3.33Å; A9-L13 WeakPolarHBondContact O-CG 3.35Å; A9-L13 PolarHBondContact O-N 3.39Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-T17 VanDerWaalsContact O-CB 3.27Å; L13-T17 WeakPolarHBondContact O-CB 3.13Å; L13-T17 PolarHBondContact O-N 3.03Å; L13-T17 PolarHBondContact O-OG1 3.37Å; L13-L258 HydrophobicContact CD2-CD2 4.47Å; L13-M262 HydrophobicContact CB-CG 3.81Å; L13-C265 HydrophobicContact CD1-CB 4.5Å; L13-C265 VanDerWaalsContact CD1-SG 3.59Å |
| 14 | N | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 175 | -85.9 | -83.5 | 0 | 0 | 0 | 111.8 | F10 G18 C89 F93 Y107 | F10-N14 WeakPolarHBondContact CE2-ND2 3.49Å; F10-N14 WeakPolarHBondContact CZ-ND2 3.36Å; F10-N14 WeakPolarHBondContact O-CB 3.34Å; F10-N14 PolarHBondContact O-N 3.36Å; F10-N14 VanDerWaalsContact O-N 3.09Å; F10-N14 PolarHBondContact O-ND2 3.02Å; N14-G18 WeakPolarHBondContact O-CA 3.4Å; N14-G18 PolarHBondContact O-N 2.94Å; N14-C89 WeakPolarHBondContact OD1-CA 3.46Å; N14-F93 HydrophobicContact CB-CB 4.47Å; N14-Y107 PolarHBondContact OD1-OH 2.75Å; N14-Y107 VanDerWaalsContact OD1-OH 3.1Å |
| 15 | A | 96.6 | Very high | 95.2 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.5 | -49.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K11 G12 L13 G18 V19 F93 | K11-A15 WeakPolarHBondContact O-CB 3.27Å; K11-A15 PolarHBondContact O-N 3.43Å; G12-A15 PolarHBondContact O-N 3.26Å; L13-A15 VanDerWaalsContact C-N 3.35Å; A15-G18 PolarHBondContact O-N 2.86Å; A15-V19 VanDerWaalsContact O-CG2 3.31Å; A15-V19 WeakPolarHBondContact O-CG2 3.31Å; A15-V19 PolarHBondContact O-N 3.22Å; A15-F93 HydrophobicContact CB-CD2 4.12Å; A15-F93 HydrophobicContact CB-CE2 4.2Å |
| 16 | I | 96 | Very high | 95.4 | Very high | 103 Ų | 103 | 46.2 Ų | 46.2 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -50.6 | -179.3 | -67.1 | 166.4 | 0 | 0 | 0 | 110.5 | G12 G18 V19 I20 | G12-I16 VanDerWaalsContact O-CG1 3.32Å; G12-I16 WeakPolarHBondContact O-CG1 3.44Å; G12-I16 PolarHBondContact O-N 2.91Å; I16-G18 VanDerWaalsContact C-N 3.31Å; I16-G18 PolarHBondContact O-N 3.45Å; I16-V19 PolarHBondContact O-N 3.28Å; I16-I20 HydrophobicContact CG2-CD1 4Å; I16-I20 WeakPolarHBondContact O-CG1 3.45Å; I16-I20 PolarHBondContact O-N 3.2Å |
| 17 | T | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 180 | -48.7 | 0 | 0 | 0 | 0 | 110.8 | L13 V19 I20 C21 L258 M262 | L13-T17 VanDerWaalsContact O-CB 3.27Å; L13-T17 WeakPolarHBondContact O-CB 3.13Å; L13-T17 PolarHBondContact O-N 3.03Å; L13-T17 PolarHBondContact O-OG1 3.37Å; T17-V19 VanDerWaalsContact C-N 3.34Å; T17-V19 PolarHBondContact O-N 2.84Å; T17-I20 PolarHBondContact O-N 3.06Å; T17-C21 WeakPolarHBondContact O-CB 3.36Å; T17-C21 PolarHBondContact O-N 2.88Å; T17-C21 PolarHBondContact O-SG 2.77Å; T17-C21 VanDerWaalsContact O-SG 3.35Å; T17-L258 HydrophobicContact CG2-CB 4.2Å; T17-L258 HydrophobicContact CG2-CD1 4.18Å; T17-M262 HydrophobicContact CG2-CE 3.64Å |
| 18 | G | 97.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 47.6 Ų | 47.6 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N14 A15 I16 L22 | N14-G18 WeakPolarHBondContact O-CA 3.4Å; N14-G18 PolarHBondContact O-N 2.94Å; A15-G18 PolarHBondContact O-N 2.86Å; I16-G18 VanDerWaalsContact C-N 3.31Å; I16-G18 PolarHBondContact O-N 3.45Å; G18-L22 WeakPolarHBondContact O-CB 3.36Å; G18-L22 PolarHBondContact O-N 3.37Å |
| 19 | V | 97 | Very high | 95.3 | Very high | 98 Ų | 98 | 43.9 Ų | 43.9 | 59% | 0.594 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.2 | -44.2 | 175.2 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | A15 I16 T17 L22 A23 | A15-V19 VanDerWaalsContact O-CG2 3.31Å; A15-V19 WeakPolarHBondContact O-CG2 3.31Å; A15-V19 PolarHBondContact O-N 3.22Å; I16-V19 PolarHBondContact O-N 3.28Å; T17-V19 VanDerWaalsContact C-N 3.34Å; T17-V19 PolarHBondContact O-N 2.84Å; V19-L22 PolarHBondContact O-N 3.04Å; V19-A23 WeakPolarHBondContact O-CB 3.06Å; V19-A23 PolarHBondContact O-N 3.48Å |
| 20 | I | 95.9 | Very high | 95 | Very high | 59 Ų | 59 | 45.5 Ų | 45.5 | 30% | 0.303 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -51.4 | 177.1 | -64.6 | 167.1 | 0 | 0 | 0 | 110 | I16 T17 L22 A23 T24 I255 L258 | I16-I20 HydrophobicContact CG2-CD1 4Å; I16-I20 WeakPolarHBondContact O-CG1 3.45Å; I16-I20 PolarHBondContact O-N 3.2Å; T17-I20 PolarHBondContact O-N 3.06Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 3.33Å; I20-A23 PolarHBondContact O-N 3.28Å; I20-T24 PolarHBondContact O-N 2.86Å; I20-T24 PolarHBondContact O-OG1 3.39Å; I20-T24 VanDerWaalsContact O-OG1 3.06Å; I20-I255 HydrophobicContact CG2-CD1 3.79Å; I20-L258 HydrophobicContact CD1-CD1 4.1Å |
| 21 | C | 96.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.02 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 179.2 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | T17 T24 L25 T86 | T17-C21 WeakPolarHBondContact O-CB 3.36Å; T17-C21 PolarHBondContact O-N 2.88Å; T17-C21 PolarHBondContact O-SG 2.77Å; T17-C21 VanDerWaalsContact O-SG 3.35Å; C21-T24 PolarHBondContact O-N 3.02Å; C21-L25 VanDerWaalsContact O-CB 3.23Å; C21-L25 WeakPolarHBondContact O-CB 3.25Å; C21-L25 PolarHBondContact O-N 3.15Å; C21-T86 VanDerWaalsContact CB-OG1 3.27Å; C21-T86 WeakPolarHBondContact CB-OG1 3.36Å |
| 22 | L | 96.8 | Very high | 94.1 | Very high | 87 Ų | 87 | 45.2 Ų | 45.2 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 176.1 | -179.2 | 62.9 | 0 | 0 | 0 | 111.6 | G18 V19 I20 L25 V26 T86 | G18-L22 WeakPolarHBondContact O-CB 3.36Å; G18-L22 PolarHBondContact O-N 3.37Å; V19-L22 PolarHBondContact O-N 3.04Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 3.33Å; L22-L25 WeakPolarHBondContact O-CB 3.31Å; L22-L25 PolarHBondContact O-N 2.86Å; L22-V26 HydrophobicContact CD1-CG2 4.41Å; L22-V26 VanDerWaalsContact O-CG2 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.42Å; L22-V26 PolarHBondContact O-N 2.89Å; L22-T86 HydrophobicContact CB-CG2 4.32Å; L22-T86 HydrophobicContact CD1-CG2 4.31Å; L22-T86 PolarHBondContact N-OG1 3.24Å |
| 23 | A | 96.5 | Very high | 93.6 | Very high | 53 Ų | 53 | 52.5 Ų | 52.5 | 44% | 0.438 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | V19 I20 L25 V26 V27 | V19-A23 WeakPolarHBondContact O-CB 3.06Å; V19-A23 PolarHBondContact O-N 3.48Å; I20-A23 PolarHBondContact O-N 3.28Å; A23-L25 PolarHBondContact O-N 3.37Å; A23-V26 PolarHBondContact O-N 3.34Å; A23-V27 WeakPolarHBondContact O-CG2 3.5Å; A23-V27 PolarHBondContact O-N 3.42Å |
| 24 | T | 94.5 | Very high | 92.9 | Very high | 53 Ų | 53 | 52 Ų | 52 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 174.3 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | I20 C21 V26 V27 C28 T78 T82 | I20-T24 PolarHBondContact O-N 2.86Å; I20-T24 PolarHBondContact O-OG1 3.39Å; I20-T24 VanDerWaalsContact O-OG1 3.06Å; C21-T24 PolarHBondContact O-N 3.02Å; T24-V26 PolarHBondContact O-N 2.99Å; T24-V27 PolarHBondContact O-N 2.77Å; T24-C28 WeakPolarHBondContact O-CB 3.38Å; T24-C28 PolarHBondContact O-N 3.45Å; T24-C28 PolarHBondContact O-SG 3.4Å; T24-C28 VanDerWaalsContact O-SG 3.36Å; T24-T78 HydrophobicContact CG2-CG2 4.27Å; T24-T82 HydrophobicContact CG2-CG2 3.77Å |
| 25 | L | 95.2 | Very high | 92.2 | Very high | 31 Ų | 31 | 57.9 Ų | 57.9 | 16% | 0.162 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 176.7 | 174.9 | 58.2 | 0 | 0 | 0 | 111.3 | C21 L22 A23 C28 A29 V79 V83 | C21-L25 VanDerWaalsContact O-CB 3.23Å; C21-L25 WeakPolarHBondContact O-CB 3.25Å; C21-L25 PolarHBondContact O-N 3.15Å; L22-L25 WeakPolarHBondContact O-CB 3.31Å; L22-L25 PolarHBondContact O-N 2.86Å; A23-L25 PolarHBondContact O-N 3.37Å; L25-C28 PolarHBondContact O-N 3.04Å; L25-A29 WeakPolarHBondContact O-CB 3.49Å; L25-A29 PolarHBondContact O-N 3.31Å; L25-V79 HydrophobicContact CD1-CG1 4.12Å; L25-V83 HydrophobicContact CD1-CG2 3.54Å; L25-V83 HydrophobicContact CD2-CG2 3.89Å; L25-V83 HydrophobicContact CG-CG2 4.38Å |
| 26 | V | 94.3 | Very high | 91.5 | Very high | 72 Ų | 72 | 60.8 Ų | 60.8 | 44% | 0.436 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 178.2 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | L22 A23 T24 C28 A29 I30 | L22-V26 HydrophobicContact CD1-CG2 4.41Å; L22-V26 VanDerWaalsContact O-CG2 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.42Å; L22-V26 PolarHBondContact O-N 2.89Å; A23-V26 PolarHBondContact O-N 3.34Å; T24-V26 PolarHBondContact O-N 2.99Å; V26-C28 PolarHBondContact O-N 3.48Å; V26-A29 PolarHBondContact O-N 2.92Å; V26-I30 HydrophobicContact CG1-CD1 3.64Å; V26-I30 HydrophobicContact CG1-CG1 4.41Å; V26-I30 VanDerWaalsContact O-CB 3.28Å; V26-I30 WeakPolarHBondContact O-CB 3.48Å; V26-I30 WeakPolarHBondContact O-CD1 3.47Å; V26-I30 WeakPolarHBondContact O-CG1 3.45Å; V26-I30 PolarHBondContact O-N 2.65Å |
| 27 | V | 92.5 | Very high | 90.8 | Very high | 98 Ų | 98 | 57.2 Ų | 57.2 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.1 | -46.8 | 178.2 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | A23 T24 I30 A31 | A23-V27 WeakPolarHBondContact O-CG2 3.5Å; A23-V27 PolarHBondContact O-N 3.42Å; T24-V27 PolarHBondContact O-N 2.77Å; V27-I30 PolarHBondContact O-N 2.96Å; V27-A31 WeakPolarHBondContact O-CB 3.49Å; V27-A31 PolarHBondContact O-N 3.42Å |
| 28 | C | 91.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.034 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.3 | -40.8 | -179.5 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | T24 L25 V26 A31 F32 L75 T78 V79 | T24-C28 WeakPolarHBondContact O-CB 3.38Å; T24-C28 PolarHBondContact O-N 3.45Å; T24-C28 PolarHBondContact O-SG 3.4Å; T24-C28 VanDerWaalsContact O-SG 3.36Å; L25-C28 PolarHBondContact O-N 3.04Å; V26-C28 PolarHBondContact O-N 3.48Å; C28-A31 PolarHBondContact O-N 3.13Å; C28-F32 WeakPolarHBondContact O-CB 3.38Å; C28-F32 PolarHBondContact O-N 3.03Å; C28-L75 HydrophobicContact CB-CD2 4.38Å; C28-T78 VanDerWaalsContact SG-CG2 3.55Å; C28-V79 HydrophobicContact CB-CG2 3.76Å |
| 29 | A | 89.8 | Confident | 89.7 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L25 V26 F32 W33 | L25-A29 WeakPolarHBondContact O-CB 3.49Å; L25-A29 PolarHBondContact O-N 3.31Å; V26-A29 PolarHBondContact O-N 2.92Å; A29-F32 PolarHBondContact O-N 3.47Å; A29-W33 WeakPolarHBondContact O-CB 3.38Å; A29-W33 VanDerWaalsContact O-CD1 3.25Å; A29-W33 PolarHBondContact O-N 2.65Å |
| 30 | I | 89.6 | Confident | 89.2 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 171.6 | -70.5 | 169.3 | 0 | 0 | 0 | 109.6 | V26 V27 F32 S34 I36 | V26-I30 HydrophobicContact CG1-CD1 3.64Å; V26-I30 HydrophobicContact CG1-CG1 4.41Å; V26-I30 VanDerWaalsContact O-CB 3.28Å; V26-I30 WeakPolarHBondContact O-CB 3.48Å; V26-I30 WeakPolarHBondContact O-CD1 3.47Å; V26-I30 WeakPolarHBondContact O-CG1 3.45Å; V26-I30 PolarHBondContact O-N 2.65Å; V27-I30 PolarHBondContact O-N 2.96Å; I30-F32 VanDerWaalsContact C-N 3.25Å; I30-F32 PolarHBondContact O-N 3.29Å; I30-S34 WeakPolarHBondContact O-CA 3.4Å; I30-S34 WeakPolarHBondContact O-CB 3.35Å; I30-S34 PolarHBondContact O-N 2.89Å; I30-S34 PolarHBondContact O-OG 3.5Å; I30-I36 HydrophobicContact CG2-CD1 3.43Å; I30-I36 VanDerWaalsContact CG2-CD1 3.43Å; I30-I36 HydrophobicContact CG2-CG1 4.44Å |
| 31 | A | 87.1 | Confident | 88.8 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 20% | 0.198 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.5 | -36.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V27 C28 L75 | V27-A31 WeakPolarHBondContact O-CB 3.49Å; V27-A31 PolarHBondContact O-N 3.42Å; C28-A31 PolarHBondContact O-N 3.13Å; A31-L75 HydrophobicContact CB-CD1 4.11Å; A31-L75 HydrophobicContact CB-CD2 4.22Å |
| 32 | F | 85.3 | Confident | 88.3 | Confident | 35 Ų | 35 | 61.9 Ų | 61.9 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -77.7 | -46.1 | -178.3 | -171.4 | -92.8 | 0 | 0 | 0 | 112.9 | C28 A29 I30 R68 N72 L75 | C28-F32 WeakPolarHBondContact O-CB 3.38Å; C28-F32 PolarHBondContact O-N 3.03Å; A29-F32 PolarHBondContact O-N 3.47Å; I30-F32 VanDerWaalsContact C-N 3.25Å; I30-F32 PolarHBondContact O-N 3.29Å; F32-R68 PolarHBondContact O-NE 2.77Å; F32-R68 VanDerWaalsContact O-NE 3.08Å; F32-R68 PolarHBondContact O-NH1 3.03Å; F32-R68 PolarHBondContact O-NH2 2.96Å; F32-N72 VanDerWaalsContact CE2-OD1 3.23Å; F32-N72 WeakPolarHBondContact CE2-OD1 3.28Å; F32-L75 HydrophobicContact CB-CD1 4.18Å; F32-L75 HydrophobicContact CD2-CB 3.88Å; F32-L75 HydrophobicContact CD2-CD1 4.24Å |
| 33 | W | 83.4 | Confident | 87.9 | Confident | 182 Ų | 182 | 61.1 Ų | 61.1 | 69% | 0.689 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -95.3 | -28.9 | -173.6 | -66.4 | 107.8 | 0 | 0 | 0 | 114 | A29 R68 | A29-W33 WeakPolarHBondContact O-CB 3.38Å; A29-W33 VanDerWaalsContact O-CD1 3.25Å; A29-W33 PolarHBondContact O-N 2.65Å; W33-R68 PolarHBondContact O-NH2 3.27Å |
| 34 | S | 83.2 | Confident | 87.6 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -78.8 | 172.4 | 179.3 | 84.7 | 0 | 0 | 0 | 0 | 112 | I30 I36 N64 R68 | I30-S34 WeakPolarHBondContact O-CA 3.4Å; I30-S34 WeakPolarHBondContact O-CB 3.35Å; I30-S34 PolarHBondContact O-N 2.89Å; I30-S34 PolarHBondContact O-OG 3.5Å; S34-I36 WeakPolarHBondContact OG-CB 3.33Å; S34-I36 VanDerWaalsContact OG-CG1 3.28Å; S34-I36 WeakPolarHBondContact OG-CG1 3.38Å; S34-I36 PolarHBondContact OG-N 3.28Å; S34-I36 VanDerWaalsContact OG-N 3.1Å; S34-N64 PolarHBondContact O-OD1 2.94Å; S34-R68 PolarHBondContact O-NH2 2.97Å |
| 35 | R | 81.4 | Confident | 87.4 | Confident | 126 Ų | 126 | 57.6 Ų | 57.6 | 48% | 0.475 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -96.9 | 11.1 | 171.7 | -57.4 | -177.8 | -174.2 | 176 | 3.4 | 112.1 | A38 N39 | R35-A38 WeakPolarHBondContact O-CB 3.24Å; R35-A38 PolarHBondContact O-N 3.24Å; R35-A38 VanDerWaalsContact O-N 3.17Å; R35-N39 VanDerWaalsContact O-CG 3.31Å; R35-N39 PolarHBondContact O-N 2.96Å; R35-N39 PolarHBondContact O-OD1 3.06Å |
| 36 | I | 82.4 | Confident | 87.2 | Confident | 100 Ų | 100 | 62.7 Ų | 62.7 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | -174.7 | -66.5 | 177.7 | 0 | 0 | 0 | 112.3 | I30 S34 A38 N39 F40 | I30-I36 HydrophobicContact CG2-CD1 3.43Å; I30-I36 VanDerWaalsContact CG2-CD1 3.43Å; I30-I36 HydrophobicContact CG2-CG1 4.44Å; S34-I36 WeakPolarHBondContact OG-CB 3.33Å; S34-I36 VanDerWaalsContact OG-CG1 3.28Å; S34-I36 WeakPolarHBondContact OG-CG1 3.38Å; S34-I36 PolarHBondContact OG-N 3.28Å; S34-I36 VanDerWaalsContact OG-N 3.1Å; I36-A38 PolarHBondContact O-N 3.47Å; I36-N39 WeakPolarHBondContact O-CB 3.35Å; I36-N39 PolarHBondContact O-N 3.44Å; I36-F40 PolarHBondContact O-N 3.45Å; I36-F40 VanDerWaalsContact O-N 3.09Å |
| 37 | P | 80.9 | Confident | 87.1 | Confident | 28 Ų | 28 | 63.4 Ų | 63.4 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.4 | -38.9 | 177.1 | -25.3 | 35.6 | 0 | 0 | 0 | 112.5 | N39 F40 L41 I67 L71 | P37-N39 VanDerWaalsContact C-N 3.35Å; P37-N39 PolarHBondContact O-N 3.36Å; P37-F40 PolarHBondContact O-N 3.43Å; P37-L41 PolarHBondContact O-N 3.2Å; P37-L41 VanDerWaalsContact O-N 3.17Å; P37-I67 HydrophobicContact CB-CG2 3.6Å; P37-L71 HydrophobicContact CB-CD1 4.47Å |
| 38 | A | 84.4 | Confident | 87.1 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.5 | -32.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R35 I36 L41 K42 L63 N64 I67 | R35-A38 WeakPolarHBondContact O-CB 3.24Å; R35-A38 PolarHBondContact O-N 3.24Å; R35-A38 VanDerWaalsContact O-N 3.17Å; I36-A38 PolarHBondContact O-N 3.47Å; A38-L41 PolarHBondContact O-N 3.44Å; A38-K42 VanDerWaalsContact O-CB 3.23Å; A38-K42 WeakPolarHBondContact O-CB 3.44Å; A38-K42 PolarHBondContact O-N 3.41Å; A38-L63 HydrophobicContact CB-CB 4.31Å; A38-N64 HydrophobicContact CB-CB 3.81Å; A38-I67 HydrophobicContact CB-CD1 4.18Å |
| 39 | N | 86.6 | Confident | 87.2 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 176 | -69.2 | -15.7 | 0 | 0 | 0 | 112 | R35 I36 P37 K42 S43 Q60 | R35-N39 VanDerWaalsContact O-CG 3.31Å; R35-N39 PolarHBondContact O-N 2.96Å; R35-N39 PolarHBondContact O-OD1 3.06Å; I36-N39 WeakPolarHBondContact O-CB 3.35Å; I36-N39 PolarHBondContact O-N 3.44Å; P37-N39 VanDerWaalsContact C-N 3.35Å; P37-N39 PolarHBondContact O-N 3.36Å; N39-K42 WeakPolarHBondContact O-CB 3.36Å; N39-K42 PolarHBondContact O-N 2.85Å; N39-S43 PolarHBondContact O-N 3.42Å; N39-S43 VanDerWaalsContact O-N 3.16Å; N39-Q60 PolarHBondContact OD1-NE2 2.86Å |
| 40 | F | 86.2 | Confident | 87.3 | Confident | 142 Ų | 142 | 61 Ų | 61 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61 | -50.1 | 172.8 | -178 | -95 | 0 | 0 | 0 | 110.5 | I36 P37 K42 S43 E44 | I36-F40 PolarHBondContact O-N 3.45Å; I36-F40 VanDerWaalsContact O-N 3.09Å; P37-F40 PolarHBondContact O-N 3.43Å; F40-K42 VanDerWaalsContact C-N 3.31Å; F40-K42 PolarHBondContact O-N 3.37Å; F40-S43 VanDerWaalsContact O-CB 3.32Å; F40-S43 WeakPolarHBondContact O-CB 3.38Å; F40-S43 PolarHBondContact O-N 3.43Å; F40-S43 VanDerWaalsContact O-N 3.1Å; F40-E44 HydrophobicContact CE1-CG 4.32Å; F40-E44 PolarHBondContact O-N 2.69Å |
| 41 | L | 86.8 | Confident | 87.3 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.1 | -37 | 177.5 | -176 | 66.3 | 0 | 0 | 0 | 112.6 | P37 A38 S43 E44 V45 L63 I67 L159 W162 | P37-L41 PolarHBondContact O-N 3.2Å; P37-L41 VanDerWaalsContact O-N 3.17Å; A38-L41 PolarHBondContact O-N 3.44Å; L41-S43 PolarHBondContact O-N 2.92Å; L41-E44 PolarHBondContact O-N 3.44Å; L41-E44 VanDerWaalsContact O-N 3.08Å; L41-V45 HydrophobicContact CD1-CG2 4.07Å; L41-V45 HydrophobicContact CG-CG2 3.95Å; L41-V45 WeakPolarHBondContact O-CB 3.44Å; L41-V45 WeakPolarHBondContact O-CG2 3.12Å; L41-V45 PolarHBondContact O-N 2.75Å; L41-L63 HydrophobicContact CD2-CB 4.3Å; L41-L63 HydrophobicContact CD2-CD1 4.3Å; L41-L63 HydrophobicContact CD2-CD2 3.78Å; L41-L63 HydrophobicContact CD2-CG 4.33Å; L41-L63 HydrophobicContact CG-CD1 4.44Å; L41-I67 HydrophobicContact CB-CD1 3.76Å; L41-I67 HydrophobicContact CD2-CD1 3.46Å; L41-I67 VanDerWaalsContact CD2-CD1 3.46Å; L41-I67 HydrophobicContact CD2-CG1 3.92Å; L41-I67 HydrophobicContact CG-CD1 4.27Å; L41-L159 HydrophobicContact CD1-CD1 4.22Å; L41-L159 HydrophobicContact CD2-CD1 3.5Å; L41-L159 HydrophobicContact CD2-CG 4.43Å; L41-W162 HydrophobicContact CD1-CB 4.31Å; L41-W162 HydrophobicContact CD1-CD2 3.44Å; L41-W162 VanDerWaalsContact CD1-CD2 3.44Å; L41-W162 HydrophobicContact CD1-CE3 3.65Å; L41-W162 HydrophobicContact CD1-CG 3.73Å; L41-W162 HydrophobicContact CD1-CZ2 4.38Å; L41-W162 HydrophobicContact CD1-CZ3 4.21Å |
| 42 | K | 87.2 | Confident | 87.4 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.3 | -39.3 | 174.4 | 171.2 | -179.5 | 162.7 | 172.4 | 0 | 111.6 | A38 N39 F40 E44 K46 P54 | A38-K42 VanDerWaalsContact O-CB 3.23Å; A38-K42 WeakPolarHBondContact O-CB 3.44Å; A38-K42 PolarHBondContact O-N 3.41Å; N39-K42 WeakPolarHBondContact O-CB 3.36Å; N39-K42 PolarHBondContact O-N 2.85Å; F40-K42 VanDerWaalsContact C-N 3.31Å; F40-K42 PolarHBondContact O-N 3.37Å; K42-E44 VanDerWaalsContact C-N 3.32Å; K42-K46 WeakPolarHBondContact O-CB 3.44Å; K42-K46 PolarHBondContact O-N 3.43Å; K42-P54 WeakPolarHBondContact CE-O 3.49Å; K42-P54 PolarHBondContact NZ-O 2.99Å |
| 43 | S | 88.1 | Confident | 87.5 | Confident | 71 Ų | 71 | 65.5 Ų | 65.5 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 175.9 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | N39 F40 L41 | N39-S43 PolarHBondContact O-N 3.42Å; N39-S43 VanDerWaalsContact O-N 3.16Å; F40-S43 VanDerWaalsContact O-CB 3.32Å; F40-S43 WeakPolarHBondContact O-CB 3.38Å; F40-S43 PolarHBondContact O-N 3.43Å; F40-S43 VanDerWaalsContact O-N 3.1Å; L41-S43 PolarHBondContact O-N 2.92Å |
| 44 | E | 89.5 | Confident | 87.3 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -73.1 | -45.5 | 178.8 | -66.2 | -57.8 | 121.7 | 0 | 0 | 112.5 | F40 L41 K42 K46 K47 W162 | F40-E44 HydrophobicContact CE1-CG 4.32Å; F40-E44 PolarHBondContact O-N 2.69Å; L41-E44 PolarHBondContact O-N 3.44Å; L41-E44 VanDerWaalsContact O-N 3.08Å; K42-E44 VanDerWaalsContact C-N 3.32Å; E44-K46 PolarHBondContact O-N 3.11Å; E44-K47 VanDerWaalsContact O-CB 3.22Å; E44-K47 WeakPolarHBondContact O-CB 3.47Å; E44-K47 WeakPolarHBondContact O-CG 3.32Å; E44-K47 PolarHBondContact O-N 3.04Å; E44-K47 WeakPolarHBondContact OE1-CE 3.48Å; E44-K47 IonicContact OE1-NZ 2.73Å; E44-K47 PolarHBondContact OE1-NZ 3.39Å; E44-K47 WeakPolarHBondContact OE2-CE 3.37Å; E44-K47 IonicContact OE2-NZ 2.92Å; E44-K47 PolarHBondContact OE2-NZ 3.31Å; E44-W162 VanDerWaalsContact CB-NE1 3.27Å |
| 45 | V | 91 | Very high | 87.4 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -29.2 | 177.5 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | L41 K47 F48 L52 L158 W162 | L41-V45 HydrophobicContact CD1-CG2 4.07Å; L41-V45 HydrophobicContact CG-CG2 3.95Å; L41-V45 WeakPolarHBondContact O-CB 3.44Å; L41-V45 WeakPolarHBondContact O-CG2 3.12Å; L41-V45 PolarHBondContact O-N 2.75Å; V45-K47 PolarHBondContact O-N 3.13Å; V45-F48 HydrophobicContact CB-CD2 4.46Å; V45-F48 HydrophobicContact CG1-CD2 4.16Å; V45-F48 WeakPolarHBondContact O-CB 3.18Å; V45-F48 VanDerWaalsContact O-CD2 3.27Å; V45-F48 WeakPolarHBondContact O-CD2 3.42Å; V45-F48 PolarHBondContact O-N 3.25Å; V45-F48 VanDerWaalsContact O-N 3.12Å; V45-L52 HydrophobicContact CG1-CD2 4.09Å; V45-L158 HydrophobicContact CG1-CB 3.66Å; V45-L158 HydrophobicContact CG1-CD1 3.83Å; V45-L158 HydrophobicContact CG1-CD2 3.92Å; V45-L158 HydrophobicContact CG1-CG 4Å; V45-L158 HydrophobicContact CG2-CB 4.44Å; V45-W162 HydrophobicContact CG2-CB 4.3Å |
| 46 | K | 90.2 | Very high | 87.7 | Confident | 138 Ų | 138 | 59 Ų | 59 | 60% | 0.6 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.9 | 174 | -174.3 | 179.6 | 175.7 | -170.2 | 0 | 112.9 | K42 E44 F48 | K42-K46 WeakPolarHBondContact O-CB 3.44Å; K42-K46 PolarHBondContact O-N 3.43Å; E44-K46 PolarHBondContact O-N 3.11Å; K46-F48 PolarHBondContact O-N 2.99Å |
| 47 | K | 92 | Very high | 88 | Confident | 88 Ų | 88 | 58.9 Ų | 58.9 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.7 | 176.7 | -59 | 177.2 | -176.6 | 168.3 | 0 | 112.1 | E44 V45 K49 Y211 | E44-K47 VanDerWaalsContact O-CB 3.22Å; E44-K47 WeakPolarHBondContact O-CB 3.47Å; E44-K47 WeakPolarHBondContact O-CG 3.32Å; E44-K47 PolarHBondContact O-N 3.04Å; E44-K47 WeakPolarHBondContact OE1-CE 3.48Å; E44-K47 IonicContact OE1-NZ 2.73Å; E44-K47 PolarHBondContact OE1-NZ 3.39Å; E44-K47 WeakPolarHBondContact OE2-CE 3.37Å; E44-K47 IonicContact OE2-NZ 2.92Å; E44-K47 PolarHBondContact OE2-NZ 3.31Å; V45-K47 PolarHBondContact O-N 3.13Å; K47-K49 PolarHBondContact O-N 3.29Å; K47-Y211 HydrophobicContact CB-CD1 3.93Å; K47-Y211 HydrophobicContact CB-CD2 3.55Å; K47-Y211 HydrophobicContact CB-CE1 4.01Å; K47-Y211 HydrophobicContact CB-CE2 3.66Å; K47-Y211 HydrophobicContact CB-CG 3.7Å; K47-Y211 HydrophobicContact CD-CD2 3.97Å; K47-Y211 HydrophobicContact CD-CE2 3.4Å; K47-Y211 HydrophobicContact CG-CD2 4.37Å; K47-Y211 HydrophobicContact CG-CE2 4.17Å; K47-Y211 VanDerWaalsContact O-CB 3.3Å; K47-Y211 WeakPolarHBondContact O-CB 3.3Å |
| 48 | F | 93.5 | Very high | 88.4 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 2% | 0.022 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -61.6 | 136.8 | 172.2 | -71.3 | -58.2 | 0 | 0 | 0 | 111.2 | V45 K46 V50 L150 L158 G161 W162 V165 Y190 L207 Y211 | V45-F48 HydrophobicContact CB-CD2 4.46Å; V45-F48 HydrophobicContact CG1-CD2 4.16Å; V45-F48 WeakPolarHBondContact O-CB 3.18Å; V45-F48 VanDerWaalsContact O-CD2 3.27Å; V45-F48 WeakPolarHBondContact O-CD2 3.42Å; V45-F48 PolarHBondContact O-N 3.25Å; V45-F48 VanDerWaalsContact O-N 3.12Å; K46-F48 PolarHBondContact O-N 2.99Å; F48-V50 HydrophobicContact CB-CG2 4.04Å; F48-V50 PolarHBondContact O-N 3.02Å; F48-L150 HydrophobicContact CD1-CD1 4.13Å; F48-L150 HydrophobicContact CD1-CD2 4.35Å; F48-L150 HydrophobicContact CD2-CD2 4.33Å; F48-L150 HydrophobicContact CE1-CD1 4.44Å; F48-L150 HydrophobicContact CE1-CD2 4.43Å; F48-L150 HydrophobicContact CE2-CD2 4.41Å; F48-L150 HydrophobicContact CG-CD2 4.33Å; F48-L150 HydrophobicContact CZ-CD2 4.47Å; F48-L158 HydrophobicContact CD2-CD2 4.27Å; F48-G161 VanDerWaalsContact CZ-C 3.46Å; F48-W162 HydrophobicContact CE2-CB 4.12Å; F48-W162 HydrophobicContact CZ-CB 4.31Å; F48-V165 HydrophobicContact CE1-CG2 4.19Å; F48-V165 HydrophobicContact CZ-CG2 4.46Å; F48-Y190 HydrophobicContact CB-CE2 4.26Å; F48-Y190 HydrophobicContact CD1-CE2 4.02Å; F48-L207 HydrophobicContact CE1-CD1 4.21Å; F48-Y211 AromaticContact CD1-CD1 3.69Å; F48-Y211 HydrophobicContact CD1-CD1 3.69Å; F48-Y211 HydrophobicContact CD1-CE1 4.17Å; F48-Y211 AromaticContact CE1-CD1 3.68Å; F48-Y211 HydrophobicContact CE1-CD1 3.68Å; F48-Y211 AromaticContact CE1-CE1 3.82Å; F48-Y211 HydrophobicContact CE1-CE1 3.82Å; F48-Y211 HydrophobicContact CG-CD1 4.34Å; F48-Y211 HydrophobicContact CZ-CD1 4.33Å; F48-Y211 HydrophobicContact CZ-CE1 4.01Å |
| 49 | K | 92.8 | Very high | 88.6 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -83.3 | 57.1 | -178.4 | -62 | -161.7 | 171.5 | -166.2 | 0 | 112.9 | K47 Y190 D191 Q212 | K47-K49 PolarHBondContact O-N 3.29Å; K49-Y190 HydrophobicContact CB-CE1 4.12Å; K49-Y190 HydrophobicContact CB-CE2 4.19Å; K49-Y190 PolarHBondContact N-OH 3.37Å; K49-D191 HydrophobicContact CB-CB 3.98Å; K49-D191 HydrophobicContact CD-CB 3.73Å; K49-D191 WeakPolarHBondContact CD-OD1 3.48Å; K49-D191 VanDerWaalsContact CD-OD2 3.3Å; K49-D191 WeakPolarHBondContact CD-OD2 3.44Å; K49-D191 IonicContact NZ-OD1 3.91Å; K49-D191 PolarHBondContact NZ-OD1 3.05Å; K49-D191 IonicContact NZ-OD2 3.87Å; K49-D191 PolarHBondContact NZ-OD2 3.25Å; K49-D191 PolarHBondContact O-N 3.18Å; K49-Q212 HydrophobicContact CD-CG 4.33Å |
| 50 | V | 92.6 | Very high | 88.7 | Confident | 17 Ų | 17 | 61 Ų | 61 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -123.4 | 154.2 | 176.6 | -65.4 | 0 | 0 | 0 | 0 | 109.9 | F48 L52 L150 L153 L158 Y190 | F48-V50 HydrophobicContact CB-CG2 4.04Å; F48-V50 PolarHBondContact O-N 3.02Å; V50-L52 HydrophobicContact CG2-CB 4.35Å; V50-L52 PolarHBondContact O-N 3.49Å; V50-L150 HydrophobicContact CG1-CB 3.89Å; V50-L153 HydrophobicContact CB-CD2 4.15Å; V50-L153 HydrophobicContact CG2-CD2 3.84Å; V50-L158 HydrophobicContact CG2-CD2 4.39Å; V50-Y190 HydrophobicContact CG1-CD2 3.9Å; V50-Y190 HydrophobicContact CG1-CE2 4.36Å |
| 51 | P | 89.4 | Confident | 88.9 | Confident | 111 Ų | 111 | 57 Ų | 57 | 72% | 0.721 | 32% | 0.315 | S | S | * | . | trans | -73.5 | 61.6 | -179 | 31.9 | -36.8 | 0 | 0 | 0 | 112 | ||||
| 52 | L | 88.6 | Confident | 89.1 | Confident | 26 Ų | 26 | 57.3 Ų | 57.3 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | trans | -74.3 | 126.1 | -177.8 | -171.1 | 71.5 | 0 | 0 | 0 | 110.3 | V45 V50 P54 L59 L153 L158 | V45-L52 HydrophobicContact CG1-CD2 4.09Å; V50-L52 HydrophobicContact CG2-CB 4.35Å; V50-L52 PolarHBondContact O-N 3.49Å; L52-P54 WeakPolarHBondContact O-CD 3.39Å; L52-L59 HydrophobicContact CD1-CD2 3.68Å; L52-L59 HydrophobicContact CD2-CD2 4.05Å; L52-L59 HydrophobicContact CG-CD2 4.05Å; L52-L153 HydrophobicContact CB-CD2 4.47Å; L52-L153 HydrophobicContact CD1-CB 4.45Å; L52-L153 HydrophobicContact CD1-CD2 3.92Å; L52-L158 HydrophobicContact CD1-CD1 3.65Å | ||
| 53 | N | 87.9 | Confident | 89.3 | Confident | 96 Ų | 96 | 55.1 Ų | 55.1 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | trans | -81.5 | 103.8 | 160.8 | -179.1 | -3.8 | 0 | 0 | 0 | 109 | N55 S56 | N53-N55 PolarHBondContact O-N 3.41Å; N53-N55 VanDerWaalsContact O-N 3.1Å; N53-N55 PolarHBondContact OD1-N 3.29Å; N53-S56 WeakPolarHBondContact O-CB 3.36Å; N53-S56 PolarHBondContact O-N 2.81Å; N53-S56 VanDerWaalsContact O-N 3.11Å | ||
| 54 | P | 79.3 | Confident | 89.4 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.2 | -177.6 | 28.4 | -36.1 | 0 | 0 | 0 | 112.2 | K42 L52 S56 | K42-P54 WeakPolarHBondContact CE-O 3.49Å; K42-P54 PolarHBondContact NZ-O 2.99Å; L52-P54 WeakPolarHBondContact O-CD 3.39Å; P54-S56 VanDerWaalsContact C-N 3.3Å |
| 55 | N | 84.9 | Confident | 89.5 | Confident | 124 Ų | 124 | 58.2 Ų | 58.2 | 66% | 0.663 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 7 | -178.3 | -61.5 | -24.3 | 0 | 0 | 0 | 113 | N53 V57 | N53-N55 PolarHBondContact O-N 3.41Å; N53-N55 VanDerWaalsContact O-N 3.1Å; N53-N55 PolarHBondContact OD1-N 3.29Å; N55-V57 PolarHBondContact O-N 3.4Å |
| 56 | S | 87.6 | Confident | 89.4 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 28% | 0.28 | 32% | 0.321 | S | S | . | . | trans | -59.3 | 118.5 | 173.2 | 172.4 | 0 | 0 | 0 | 0 | 111 | N53 P54 V58 L59 Q60 | N53-S56 WeakPolarHBondContact O-CB 3.36Å; N53-S56 PolarHBondContact O-N 2.81Å; N53-S56 VanDerWaalsContact O-N 3.11Å; P54-S56 VanDerWaalsContact C-N 3.3Å; S56-V58 VanDerWaalsContact C-N 3.27Å; S56-V58 PolarHBondContact O-N 3.1Å; S56-V58 PolarHBondContact OG-N 2.93Å; S56-L59 PolarHBondContact O-N 3.46Å; S56-L59 PolarHBondContact OG-N 3.43Å; S56-Q60 PolarHBondContact O-N 2.87Å; S56-Q60 VanDerWaalsContact O-N 3.09Å | ||
| 57 | V | 88.1 | Confident | 89.4 | Confident | 98 Ų | 98 | 54.9 Ų | 54.9 | 59% | 0.594 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.2 | -39.6 | 175.4 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | N55 L59 Q60 S61 | N55-V57 PolarHBondContact O-N 3.4Å; V57-L59 PolarHBondContact O-N 2.98Å; V57-Q60 PolarHBondContact O-N 3.31Å; V57-S61 WeakPolarHBondContact O-CB 3.47Å; V57-S61 PolarHBondContact O-N 3.28Å; V57-S61 PolarHBondContact O-OG 3.09Å |
| 58 | V | 89.4 | Confident | 89.2 | Confident | 102 Ų | 102 | 53.4 Ų | 53.4 | 62% | 0.618 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 178.8 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | S56 S61 G62 | S56-V58 VanDerWaalsContact C-N 3.27Å; S56-V58 PolarHBondContact O-N 3.1Å; S56-V58 PolarHBondContact OG-N 2.93Å; V58-S61 WeakPolarHBondContact CA-OG 3.37Å; V58-S61 PolarHBondContact O-OG 2.84Å; V58-S61 VanDerWaalsContact O-OG 3.08Å; V58-G62 PolarHBondContact O-N 3.42Å |
| 59 | L | 89.7 | Confident | 89 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.9 | -53.1 | 174.4 | 178.4 | 65.6 | 0 | 0 | 0 | 110.4 | L52 S56 V57 S61 G62 L63 L158 | L52-L59 HydrophobicContact CD1-CD2 3.68Å; L52-L59 HydrophobicContact CD2-CD2 4.05Å; L52-L59 HydrophobicContact CG-CD2 4.05Å; S56-L59 PolarHBondContact O-N 3.46Å; S56-L59 PolarHBondContact OG-N 3.43Å; V57-L59 PolarHBondContact O-N 2.98Å; L59-S61 PolarHBondContact O-N 2.87Å; L59-G62 PolarHBondContact O-N 3.4Å; L59-L63 HydrophobicContact CD1-CD1 4Å; L59-L63 HydrophobicContact CD1-CD2 4.5Å; L59-L63 HydrophobicContact CD1-CG 4.05Å; L59-L63 HydrophobicContact CG-CD1 4.1Å; L59-L63 HydrophobicContact CG-CG 4.42Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 3.24Å; L59-L158 HydrophobicContact CD1-CD1 3.44Å; L59-L158 VanDerWaalsContact CD1-CD1 3.44Å |
| 60 | Q | 88.4 | Confident | 88.8 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 19% | 0.192 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | -176 | -165.6 | -175 | 26.6 | 0 | 0 | 112 | N39 S56 V57 N64 | N39-Q60 PolarHBondContact OD1-NE2 2.86Å; S56-Q60 PolarHBondContact O-N 2.87Å; S56-Q60 VanDerWaalsContact O-N 3.09Å; V57-Q60 PolarHBondContact O-N 3.31Å; Q60-N64 VanDerWaalsContact O-CB 3.22Å; Q60-N64 WeakPolarHBondContact O-CB 3.3Å; Q60-N64 PolarHBondContact O-N 3.26Å; Q60-N64 VanDerWaalsContact O-N 3.08Å |
| 61 | S | 89.7 | Confident | 88.6 | Confident | 58 Ų | 58 | 54.1 Ų | 54.1 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 179 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | V57 V58 L59 N64 Y65 | V57-S61 WeakPolarHBondContact O-CB 3.47Å; V57-S61 PolarHBondContact O-N 3.28Å; V57-S61 PolarHBondContact O-OG 3.09Å; V58-S61 WeakPolarHBondContact CA-OG 3.37Å; V58-S61 PolarHBondContact O-OG 2.84Å; V58-S61 VanDerWaalsContact O-OG 3.08Å; L59-S61 PolarHBondContact O-N 2.87Å; S61-N64 PolarHBondContact O-N 2.95Å; S61-Y65 PolarHBondContact O-N 2.97Å |
| 62 | G | 91.1 | Very high | 88.6 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | V58 L59 N64 Y65 Y66 | V58-G62 PolarHBondContact O-N 3.42Å; L59-G62 PolarHBondContact O-N 3.4Å; G62-N64 VanDerWaalsContact C-N 3.28Å; G62-N64 PolarHBondContact O-N 2.85Å; G62-Y65 WeakPolarHBondContact O-CB 3.37Å; G62-Y65 PolarHBondContact O-N 3.25Å; G62-Y65 VanDerWaalsContact O-N 3.16Å; G62-Y66 WeakPolarHBondContact O-CD2 3.37Å; G62-Y66 PolarHBondContact O-N 2.9Å; G62-Y66 VanDerWaalsContact O-N 3.13Å |
| 63 | L | 91.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 174.5 | -68.6 | -176.7 | 0 | 0 | 0 | 110.9 | A38 L41 L59 Y65 Y66 I67 P155 L159 | A38-L63 HydrophobicContact CB-CB 4.31Å; L41-L63 HydrophobicContact CD2-CB 4.3Å; L41-L63 HydrophobicContact CD2-CD1 4.3Å; L41-L63 HydrophobicContact CD2-CD2 3.78Å; L41-L63 HydrophobicContact CD2-CG 4.33Å; L41-L63 HydrophobicContact CG-CD1 4.44Å; L59-L63 HydrophobicContact CD1-CD1 4Å; L59-L63 HydrophobicContact CD1-CD2 4.5Å; L59-L63 HydrophobicContact CD1-CG 4.05Å; L59-L63 HydrophobicContact CG-CD1 4.1Å; L59-L63 HydrophobicContact CG-CG 4.42Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 3.24Å; L63-Y65 VanDerWaalsContact C-N 3.33Å; L63-Y65 PolarHBondContact O-N 2.98Å; L63-Y66 PolarHBondContact O-N 2.84Å; L63-I67 WeakPolarHBondContact O-CB 3.31Å; L63-I67 WeakPolarHBondContact O-CD1 3.47Å; L63-I67 VanDerWaalsContact O-CG1 3.25Å; L63-I67 WeakPolarHBondContact O-CG1 3.41Å; L63-I67 PolarHBondContact O-N 3.34Å; L63-P155 HydrophobicContact CD2-CB 4.14Å; L63-P155 HydrophobicContact CG-CB 4.4Å; L63-L159 HydrophobicContact CD2-CB 4.04Å |
| 64 | N | 90.8 | Very high | 88.5 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 176.2 | -175.3 | 63.6 | 0 | 0 | 0 | 112.5 | S34 A38 Q60 S61 G62 R68 | S34-N64 PolarHBondContact O-OD1 2.94Å; A38-N64 HydrophobicContact CB-CB 3.81Å; Q60-N64 VanDerWaalsContact O-CB 3.22Å; Q60-N64 WeakPolarHBondContact O-CB 3.3Å; Q60-N64 PolarHBondContact O-N 3.26Å; Q60-N64 VanDerWaalsContact O-N 3.08Å; S61-N64 PolarHBondContact O-N 2.95Å; G62-N64 VanDerWaalsContact C-N 3.28Å; G62-N64 PolarHBondContact O-N 2.85Å; N64-R68 PolarHBondContact ND2-NE 2.9Å; N64-R68 VanDerWaalsContact ND2-NE 3.14Å; N64-R68 PolarHBondContact ND2-NH2 3.44Å; N64-R68 VanDerWaalsContact O-CB 3.3Å; N64-R68 WeakPolarHBondContact O-CB 3.44Å; N64-R68 WeakPolarHBondContact O-CG 3.5Å; N64-R68 PolarHBondContact O-N 3Å; N64-R68 PolarHBondContact OD1-NE 2.88Å; N64-R68 VanDerWaalsContact OD1-NE 3.13Å |
| 65 | Y | 90.8 | Very high | 89 | Confident | 150 Ų | 150 | 46.7 Ų | 46.7 | 59% | 0.588 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.4 | -49.4 | 176.3 | 171.8 | -96.3 | 0 | 0 | 0 | 112.4 | S61 G62 L63 R68 S69 | S61-Y65 PolarHBondContact O-N 2.97Å; G62-Y65 WeakPolarHBondContact O-CB 3.37Å; G62-Y65 PolarHBondContact O-N 3.25Å; G62-Y65 VanDerWaalsContact O-N 3.16Å; L63-Y65 VanDerWaalsContact C-N 3.33Å; L63-Y65 PolarHBondContact O-N 2.98Å; Y65-R68 PolarHBondContact O-N 3.48Å; Y65-S69 WeakPolarHBondContact O-CB 3.4Å; Y65-S69 PolarHBondContact O-N 3.41Å; Y65-S69 PolarHBondContact O-OG 2.92Å |
| 66 | Y | 89.8 | Confident | 89.2 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 18% | 0.18 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69 | -43.6 | -179 | -70 | -65.6 | 0 | 0 | 0 | 112.6 | G62 L63 R68 S69 F70 L143 P155 L159 | G62-Y66 WeakPolarHBondContact O-CD2 3.37Å; G62-Y66 PolarHBondContact O-N 2.9Å; G62-Y66 VanDerWaalsContact O-N 3.13Å; L63-Y66 PolarHBondContact O-N 2.84Å; Y66-R68 VanDerWaalsContact C-N 3.31Å; Y66-R68 PolarHBondContact O-N 2.95Å; Y66-S69 WeakPolarHBondContact O-CA 3.31Å; Y66-S69 WeakPolarHBondContact O-CB 3.32Å; Y66-S69 PolarHBondContact O-N 3.05Å; Y66-F70 WeakPolarHBondContact O-CD2 3.27Å; Y66-F70 PolarHBondContact O-N 3.35Å; Y66-L143 HydrophobicContact CD1-CD2 3.57Å; Y66-L143 HydrophobicContact CD1-CG 4.15Å; Y66-L143 HydrophobicContact CD2-CD2 4.08Å; Y66-L143 HydrophobicContact CE1-CD2 3.54Å; Y66-L143 HydrophobicContact CE1-CG 4.26Å; Y66-L143 HydrophobicContact CE2-CD2 4.05Å; Y66-L143 HydrophobicContact CG-CD2 3.86Å; Y66-P155 HydrophobicContact CD2-CB 4.43Å; Y66-P155 HydrophobicContact CE2-CB 4.25Å; Y66-L159 HydrophobicContact CD2-CD2 4.19Å; Y66-L159 HydrophobicContact CG-CD2 3.87Å |
| 67 | I | 89.7 | Confident | 89.3 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 177.4 | -67.2 | 166.2 | 0 | 0 | 0 | 110.8 | P37 A38 L41 L63 S69 F70 L71 | P37-I67 HydrophobicContact CB-CG2 3.6Å; A38-I67 HydrophobicContact CB-CD1 4.18Å; L41-I67 HydrophobicContact CB-CD1 3.76Å; L41-I67 HydrophobicContact CD2-CD1 3.46Å; L41-I67 VanDerWaalsContact CD2-CD1 3.46Å; L41-I67 HydrophobicContact CD2-CG1 3.92Å; L41-I67 HydrophobicContact CG-CD1 4.27Å; L63-I67 WeakPolarHBondContact O-CB 3.31Å; L63-I67 WeakPolarHBondContact O-CD1 3.47Å; L63-I67 VanDerWaalsContact O-CG1 3.25Å; L63-I67 WeakPolarHBondContact O-CG1 3.41Å; L63-I67 PolarHBondContact O-N 3.34Å; I67-S69 VanDerWaalsContact C-N 3.32Å; I67-S69 PolarHBondContact O-N 3.45Å; I67-F70 PolarHBondContact O-N 2.89Å; I67-L71 HydrophobicContact CG2-CD1 3.63Å; I67-L71 HydrophobicContact CG2-CG 4.17Å; I67-L71 WeakPolarHBondContact O-CB 3.42Å; I67-L71 WeakPolarHBondContact O-CG 3.43Å; I67-L71 PolarHBondContact O-N 3.4Å |
| 68 | R | 89.1 | Confident | 89.6 | Confident | 56 Ų | 56 | 43.4 Ų | 43.4 | 21% | 0.211 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -42.1 | 173.4 | -75 | 178.3 | -172.7 | -161.1 | -1.6 | 111.4 | F32 W33 S34 N64 Y65 Y66 F70 L71 N72 | F32-R68 PolarHBondContact O-NE 2.77Å; F32-R68 VanDerWaalsContact O-NE 3.08Å; F32-R68 PolarHBondContact O-NH1 3.03Å; F32-R68 PolarHBondContact O-NH2 2.96Å; W33-R68 PolarHBondContact O-NH2 3.27Å; S34-R68 PolarHBondContact O-NH2 2.97Å; N64-R68 PolarHBondContact ND2-NE 2.9Å; N64-R68 VanDerWaalsContact ND2-NE 3.14Å; N64-R68 PolarHBondContact ND2-NH2 3.44Å; N64-R68 VanDerWaalsContact O-CB 3.3Å; N64-R68 WeakPolarHBondContact O-CB 3.44Å; N64-R68 WeakPolarHBondContact O-CG 3.5Å; N64-R68 PolarHBondContact O-N 3Å; N64-R68 PolarHBondContact OD1-NE 2.88Å; N64-R68 VanDerWaalsContact OD1-NE 3.13Å; Y65-R68 PolarHBondContact O-N 3.48Å; Y66-R68 VanDerWaalsContact C-N 3.31Å; Y66-R68 PolarHBondContact O-N 2.95Å; R68-F70 PolarHBondContact O-N 3.49Å; R68-L71 PolarHBondContact O-N 3.44Å; R68-L71 VanDerWaalsContact O-N 3.09Å; R68-N72 WeakPolarHBondContact O-CA 3.33Å; R68-N72 WeakPolarHBondContact O-CB 3.39Å; R68-N72 PolarHBondContact O-N 2.89Å; R68-N72 PolarHBondContact O-ND2 3.46Å; R68-N72 PolarHBondContact O-OD1 3.25Å |
| 69 | S | 88.8 | Confident | 89.8 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.5 | -38 | 177.8 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | Y65 Y66 I67 | Y65-S69 WeakPolarHBondContact O-CB 3.4Å; Y65-S69 PolarHBondContact O-N 3.41Å; Y65-S69 PolarHBondContact O-OG 2.92Å; Y66-S69 WeakPolarHBondContact O-CA 3.31Å; Y66-S69 WeakPolarHBondContact O-CB 3.32Å; Y66-S69 PolarHBondContact O-N 3.05Å; I67-S69 VanDerWaalsContact C-N 3.32Å; I67-S69 PolarHBondContact O-N 3.45Å |
| 70 | F | 88.3 | Confident | 90 | Very high | 18 Ų | 18 | 43 Ų | 43 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.2 | -45.2 | 171.7 | -69.7 | -59.1 | 0 | 0 | 0 | 113.1 | Y66 I67 R68 P73 V139 L143 L159 I163 F237 F241 | Y66-F70 WeakPolarHBondContact O-CD2 3.27Å; Y66-F70 PolarHBondContact O-N 3.35Å; I67-F70 PolarHBondContact O-N 2.89Å; R68-F70 PolarHBondContact O-N 3.49Å; F70-P73 VanDerWaalsContact O-CD 3.31Å; F70-P73 WeakPolarHBondContact O-CD 3.47Å; F70-V139 HydrophobicContact CD1-CB 3.88Å; F70-V139 HydrophobicContact CD1-CG1 3.74Å; F70-V139 HydrophobicContact CD2-CG1 4.32Å; F70-V139 HydrophobicContact CE1-CB 3.41Å; F70-V139 VanDerWaalsContact CE1-CB 3.41Å; F70-V139 HydrophobicContact CE1-CG1 3.29Å; F70-V139 HydrophobicContact CE2-CG1 3.94Å; F70-V139 HydrophobicContact CG-CG1 4.24Å; F70-V139 HydrophobicContact CZ-CB 4.01Å; F70-V139 HydrophobicContact CZ-CG1 3.42Å; F70-V139 VanDerWaalsContact CZ-CG1 3.42Å; F70-L143 HydrophobicContact CE2-CD1 3.68Å; F70-L143 HydrophobicContact CZ-CD1 3.57Å; F70-L159 HydrophobicContact CE2-CD2 4.2Å; F70-I163 HydrophobicContact CE2-CD1 4.49Å; F70-F237 AromaticContact CD1-CE1 3.74Å; F70-F237 HydrophobicContact CD1-CE1 3.74Å; F70-F237 AromaticContact CD1-CZ 3.51Å; F70-F237 HydrophobicContact CD1-CZ 3.51Å; F70-F237 HydrophobicContact CD2-CZ 4.39Å; F70-F237 AromaticContact CE1-CE1 3.3Å; F70-F237 HydrophobicContact CE1-CE1 3.3Å; F70-F237 HydrophobicContact CE1-CE2 4.33Å; F70-F237 AromaticContact CE1-CZ 3.18Å; F70-F237 HydrophobicContact CE1-CZ 3.18Å; F70-F237 HydrophobicContact CE2-CZ 4.12Å; F70-F237 HydrophobicContact CG-CZ 4.1Å; F70-F237 AromaticContact CZ-CE1 3.98Å; F70-F237 HydrophobicContact CZ-CE1 3.98Å; F70-F237 HydrophobicContact CZ-CE2 4.3Å; F70-F237 AromaticContact CZ-CZ 3.51Å; F70-F237 HydrophobicContact CZ-CZ 3.51Å; F70-F241 HydrophobicContact CB-CE2 4.31Å; F70-F241 WeakPolarHBondContact O-CE2 3.42Å; F70-F241 WeakPolarHBondContact O-CZ 3.37Å |
| 71 | L | 88.7 | Confident | 90.2 | Very high | 50 Ų | 50 | 42.4 Ų | 42.4 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -81.8 | -21.6 | -172.8 | -65.8 | 178.9 | 0 | 0 | 0 | 114.1 | P37 I67 R68 P73 L74 L75 | P37-L71 HydrophobicContact CB-CD1 4.47Å; I67-L71 HydrophobicContact CG2-CD1 3.63Å; I67-L71 HydrophobicContact CG2-CG 4.17Å; I67-L71 WeakPolarHBondContact O-CB 3.42Å; I67-L71 WeakPolarHBondContact O-CG 3.43Å; I67-L71 PolarHBondContact O-N 3.4Å; R68-L71 PolarHBondContact O-N 3.44Å; R68-L71 VanDerWaalsContact O-N 3.09Å; L71-P73 VanDerWaalsContact C-CD 3.44Å; L71-L74 WeakPolarHBondContact O-CB 3.42Å; L71-L74 PolarHBondContact O-N 3.47Å; L71-L75 HydrophobicContact CB-CD1 3.63Å; L71-L75 HydrophobicContact CB-CG 4Å; L71-L75 HydrophobicContact CD1-CD1 4.22Å; L71-L75 WeakPolarHBondContact O-CG 3.36Å; L71-L75 PolarHBondContact O-N 2.91Å |
| 72 | N | 88.9 | Confident | 90.5 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 31% | 0.305 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -54.4 | -44.2 | -174.5 | -81 | -8.3 | 0 | 0 | 0 | 114.3 | F32 R68 L74 L75 F76 | F32-N72 VanDerWaalsContact CE2-OD1 3.23Å; F32-N72 WeakPolarHBondContact CE2-OD1 3.28Å; R68-N72 WeakPolarHBondContact O-CA 3.33Å; R68-N72 WeakPolarHBondContact O-CB 3.39Å; R68-N72 PolarHBondContact O-N 2.89Å; R68-N72 PolarHBondContact O-ND2 3.46Å; R68-N72 PolarHBondContact O-OD1 3.25Å; N72-L74 PolarHBondContact O-N 3.07Å; N72-L74 VanDerWaalsContact O-N 3.15Å; N72-L75 PolarHBondContact O-N 2.99Å; N72-F76 VanDerWaalsContact O-CB 3.32Å; N72-F76 WeakPolarHBondContact O-CB 3.48Å; N72-F76 PolarHBondContact O-N 3.42Å |
| 73 | P | 85.5 | Confident | 90.7 | Very high | 29 Ų | 29 | 42.5 Ų | 42.5 | 19% | 0.188 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.2 | -25.9 | 178.8 | -23.8 | 36.6 | 0 | 0 | 0 | 113.2 | F70 L71 P77 Q135 | F70-P73 VanDerWaalsContact O-CD 3.31Å; F70-P73 WeakPolarHBondContact O-CD 3.47Å; L71-P73 VanDerWaalsContact C-CD 3.44Å; P73-P77 VanDerWaalsContact O-CD 3.24Å; P73-P77 WeakPolarHBondContact O-CD 3.28Å; P73-P77 WeakPolarHBondContact O-CG 3.49Å; P73-Q135 VanDerWaalsContact CB-OE1 3.32Å; P73-Q135 HydrophobicContact CG-CG 4.22Å |
| 74 | L | 87.8 | Confident | 90.9 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -91.3 | -49.6 | 176.3 | 172.9 | 65 | 0 | 0 | 0 | 111.8 | L71 N72 T78 I244 V245 F248 | L71-L74 WeakPolarHBondContact O-CB 3.42Å; L71-L74 PolarHBondContact O-N 3.47Å; N72-L74 PolarHBondContact O-N 3.07Å; N72-L74 VanDerWaalsContact O-N 3.15Å; L74-T78 WeakPolarHBondContact O-CB 3.22Å; L74-T78 PolarHBondContact O-N 3.03Å; L74-T78 PolarHBondContact O-OG1 3.22Å; L74-I244 HydrophobicContact CD2-CG2 4.16Å; L74-V245 HydrophobicContact CB-CG2 4.4Å; L74-V245 HydrophobicContact CD1-CG1 4.09Å; L74-V245 HydrophobicContact CD1-CG2 4.39Å; L74-F248 HydrophobicContact CD1-CB 3.74Å; L74-F248 HydrophobicContact CD1-CD1 4.19Å; L74-F248 HydrophobicContact CD1-CD2 4.2Å; L74-F248 HydrophobicContact CD1-CG 3.79Å; L74-F248 HydrophobicContact CD2-CD2 3.7Å; L74-F248 HydrophobicContact CD2-CE2 3.8Å; L74-F248 HydrophobicContact CD2-CG 4.09Å; L74-F248 HydrophobicContact CD2-CZ 4.26Å; L74-F248 HydrophobicContact CG-CG 4.46Å |
| 75 | L | 89.8 | Confident | 91.2 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.3 | -40.5 | -172.5 | -70.4 | -179.9 | 0 | 0 | 0 | 112.4 | C28 A31 F32 L71 N72 T78 V79 | C28-L75 HydrophobicContact CB-CD2 4.38Å; A31-L75 HydrophobicContact CB-CD1 4.11Å; A31-L75 HydrophobicContact CB-CD2 4.22Å; F32-L75 HydrophobicContact CB-CD1 4.18Å; F32-L75 HydrophobicContact CD2-CB 3.88Å; F32-L75 HydrophobicContact CD2-CD1 4.24Å; L71-L75 HydrophobicContact CB-CD1 3.63Å; L71-L75 HydrophobicContact CB-CG 4Å; L71-L75 HydrophobicContact CD1-CD1 4.22Å; L71-L75 WeakPolarHBondContact O-CG 3.36Å; L71-L75 PolarHBondContact O-N 2.91Å; N72-L75 PolarHBondContact O-N 2.99Å; L75-T78 PolarHBondContact O-N 2.92Å; L75-V79 VanDerWaalsContact O-CG2 3.3Å; L75-V79 WeakPolarHBondContact O-CG2 3.47Å; L75-V79 PolarHBondContact O-N 3.31Å |
| 76 | F | 90.1 | Very high | 91.5 | Very high | 127 Ų | 127 | 37.6 Ų | 37.6 | 56% | 0.557 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -64.4 | -52.3 | -175.2 | 178.5 | -94.5 | 0 | 0 | 0 | 112.4 | N72 T78 V79 V80 | N72-F76 VanDerWaalsContact O-CB 3.32Å; N72-F76 WeakPolarHBondContact O-CB 3.48Å; N72-F76 PolarHBondContact O-N 3.42Å; F76-T78 VanDerWaalsContact C-N 3.26Å; F76-T78 PolarHBondContact O-N 3.31Å; F76-V79 PolarHBondContact O-N 2.81Å; F76-V80 HydrophobicContact CD1-CG2 4.48Å; F76-V80 HydrophobicContact CE1-CG2 4.1Å; F76-V80 HydrophobicContact CE2-CG2 4.32Å; F76-V80 HydrophobicContact CZ-CG2 4.02Å; F76-V80 WeakPolarHBondContact O-CG2 3.49Å; F76-V80 PolarHBondContact O-N 3.35Å |
| 77 | P | 90.7 | Very high | 91.9 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 25% | 0.247 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -36.1 | 174.7 | -23.6 | 35 | 0 | 0 | 0 | 112.9 | P73 V80 T81 L121 | P73-P77 VanDerWaalsContact O-CD 3.24Å; P73-P77 WeakPolarHBondContact O-CD 3.28Å; P73-P77 WeakPolarHBondContact O-CG 3.49Å; P77-V80 PolarHBondContact O-N 3.35Å; P77-T81 VanDerWaalsContact O-CB 3.25Å; P77-T81 WeakPolarHBondContact O-CB 3.23Å; P77-T81 PolarHBondContact O-N 3.46Å; P77-T81 PolarHBondContact O-OG1 3.44Å; P77-L121 HydrophobicContact CB-CD2 3.9Å |
| 78 | T | 92.5 | Very high | 92.2 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 17% | 0.172 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 178.1 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | T24 C28 L74 L75 F76 T81 T82 | T24-T78 HydrophobicContact CG2-CG2 4.27Å; C28-T78 VanDerWaalsContact SG-CG2 3.55Å; L74-T78 WeakPolarHBondContact O-CB 3.22Å; L74-T78 PolarHBondContact O-N 3.03Å; L74-T78 PolarHBondContact O-OG1 3.22Å; L75-T78 PolarHBondContact O-N 2.92Å; F76-T78 VanDerWaalsContact C-N 3.26Å; F76-T78 PolarHBondContact O-N 3.31Å; T78-T81 PolarHBondContact O-N 2.85Å; T78-T82 HydrophobicContact CG2-CG2 4.3Å; T78-T82 WeakPolarHBondContact O-CB 3.46Å; T78-T82 VanDerWaalsContact O-CG2 3.27Å; T78-T82 WeakPolarHBondContact O-CG2 3.4Å; T78-T82 PolarHBondContact O-N 3.22Å; T78-T82 PolarHBondContact O-OG1 3.5Å |
| 79 | V | 93.9 | Very high | 92.7 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 17% | 0.17 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -48 | 176 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | L25 C28 L75 F76 T81 T82 V83 | L25-V79 HydrophobicContact CD1-CG1 4.12Å; C28-V79 HydrophobicContact CB-CG2 3.76Å; L75-V79 VanDerWaalsContact O-CG2 3.3Å; L75-V79 WeakPolarHBondContact O-CG2 3.47Å; L75-V79 PolarHBondContact O-N 3.31Å; F76-V79 PolarHBondContact O-N 2.81Å; V79-T81 VanDerWaalsContact C-N 3.33Å; V79-T81 PolarHBondContact O-N 3.43Å; V79-T82 WeakPolarHBondContact CA-OG1 3.39Å; V79-T82 PolarHBondContact O-N 3.41Å; V79-T82 PolarHBondContact O-OG1 3.01Å; V79-T82 VanDerWaalsContact O-OG1 3.07Å; V79-V83 HydrophobicContact CG1-CG2 4.31Å; V79-V83 WeakPolarHBondContact O-CB 3.27Å; V79-V83 VanDerWaalsContact O-CG2 3.28Å; V79-V83 WeakPolarHBondContact O-CG2 3.47Å; V79-V83 PolarHBondContact O-N 2.91Å |
| 80 | V | 93.7 | Very high | 93 | Very high | 69 Ų | 69 | 38.5 Ų | 38.5 | 42% | 0.418 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 179.2 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | F76 P77 S84 | F76-V80 HydrophobicContact CD1-CG2 4.48Å; F76-V80 HydrophobicContact CE1-CG2 4.1Å; F76-V80 HydrophobicContact CE2-CG2 4.32Å; F76-V80 HydrophobicContact CZ-CG2 4.02Å; F76-V80 WeakPolarHBondContact O-CG2 3.49Å; F76-V80 PolarHBondContact O-N 3.35Å; P77-V80 PolarHBondContact O-N 3.35Å; V80-S84 WeakPolarHBondContact O-CB 3.27Å; V80-S84 PolarHBondContact O-N 2.76Å; V80-S84 VanDerWaalsContact O-N 3.13Å; V80-S84 PolarHBondContact O-OG 3.34Å |
| 81 | T | 93.6 | Very high | 93.5 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.6 | -47 | 179.5 | -57.5 | 0 | 0 | 0 | 0 | 111 | P77 T78 V79 S84 Y85 | P77-T81 VanDerWaalsContact O-CB 3.25Å; P77-T81 WeakPolarHBondContact O-CB 3.23Å; P77-T81 PolarHBondContact O-N 3.46Å; P77-T81 PolarHBondContact O-OG1 3.44Å; T78-T81 PolarHBondContact O-N 2.85Å; V79-T81 VanDerWaalsContact C-N 3.33Å; V79-T81 PolarHBondContact O-N 3.43Å; T81-S84 WeakPolarHBondContact O-CB 3.32Å; T81-S84 PolarHBondContact O-N 3.4Å; T81-Y85 HydrophobicContact CG2-CD2 3.62Å; T81-Y85 HydrophobicContact CG2-CE2 3.48Å; T81-Y85 VanDerWaalsContact CG2-CE2 3.48Å; T81-Y85 WeakPolarHBondContact O-CD2 3.29Å; T81-Y85 PolarHBondContact O-N 2.87Å |
| 82 | T | 95 | Very high | 93.9 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68 | -38.7 | -179.2 | 51.2 | 0 | 0 | 0 | 0 | 113 | T24 T78 V79 S84 Y85 T86 | T24-T82 HydrophobicContact CG2-CG2 3.77Å; T78-T82 HydrophobicContact CG2-CG2 4.3Å; T78-T82 WeakPolarHBondContact O-CB 3.46Å; T78-T82 VanDerWaalsContact O-CG2 3.27Å; T78-T82 WeakPolarHBondContact O-CG2 3.4Å; T78-T82 PolarHBondContact O-N 3.22Å; T78-T82 PolarHBondContact O-OG1 3.5Å; V79-T82 WeakPolarHBondContact CA-OG1 3.39Å; V79-T82 PolarHBondContact O-N 3.41Å; V79-T82 PolarHBondContact O-OG1 3.01Å; V79-T82 VanDerWaalsContact O-OG1 3.07Å; T82-S84 VanDerWaalsContact C-N 3.3Å; T82-S84 PolarHBondContact O-N 2.88Å; T82-Y85 PolarHBondContact O-N 3.22Å; T82-T86 VanDerWaalsContact O-CB 3.31Å; T82-T86 WeakPolarHBondContact O-CB 3.16Å; T82-T86 PolarHBondContact O-N 3.03Å; T82-T86 PolarHBondContact O-OG1 3.42Å |
| 83 | V | 96.2 | Very high | 94.2 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 37% | 0.37 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.4 | -44.5 | 171.6 | 169.8 | 0 | 0 | 0 | 0 | 111 | L25 V79 S87 | L25-V83 HydrophobicContact CD1-CG2 3.54Å; L25-V83 HydrophobicContact CD2-CG2 3.89Å; L25-V83 HydrophobicContact CG-CG2 4.38Å; V79-V83 HydrophobicContact CG1-CG2 4.31Å; V79-V83 WeakPolarHBondContact O-CB 3.27Å; V79-V83 VanDerWaalsContact O-CG2 3.28Å; V79-V83 WeakPolarHBondContact O-CG2 3.47Å; V79-V83 PolarHBondContact O-N 2.91Å; V83-S87 WeakPolarHBondContact O-CB 3.44Å; V83-S87 PolarHBondContact O-N 2.78Å; V83-S87 PolarHBondContact O-OG 2.95Å |
| 84 | S | 96.1 | Very high | 94.6 | Very high | 44 Ų | 44 | 42.3 Ų | 42.3 | 31% | 0.308 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -50.2 | -179.2 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | V80 T81 T82 S87 L88 | V80-S84 WeakPolarHBondContact O-CB 3.27Å; V80-S84 PolarHBondContact O-N 2.76Å; V80-S84 VanDerWaalsContact O-N 3.13Å; V80-S84 PolarHBondContact O-OG 3.34Å; T81-S84 WeakPolarHBondContact O-CB 3.32Å; T81-S84 PolarHBondContact O-N 3.4Å; T82-S84 VanDerWaalsContact C-N 3.3Å; T82-S84 PolarHBondContact O-N 2.88Å; S84-S87 PolarHBondContact O-N 3.45Å; S84-L88 WeakPolarHBondContact O-CG 3.33Å; S84-L88 PolarHBondContact O-N 3.35Å |
| 85 | Y | 97.2 | Very high | 95 | Very high | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 177.6 | -80.5 | -70.6 | 0 | 0 | 0 | 112.9 | T81 T82 S87 L88 C89 F111 L115 H118 I255 | T81-Y85 HydrophobicContact CG2-CD2 3.62Å; T81-Y85 HydrophobicContact CG2-CE2 3.48Å; T81-Y85 VanDerWaalsContact CG2-CE2 3.48Å; T81-Y85 WeakPolarHBondContact O-CD2 3.29Å; T81-Y85 PolarHBondContact O-N 2.87Å; T82-Y85 PolarHBondContact O-N 3.22Å; Y85-S87 VanDerWaalsContact C-N 3.32Å; Y85-S87 PolarHBondContact O-N 3.38Å; Y85-L88 PolarHBondContact O-N 3.23Å; Y85-C89 WeakPolarHBondContact O-CB 3.1Å; Y85-C89 PolarHBondContact O-N 2.85Å; Y85-C89 PolarHBondContact O-SG 3.39Å; Y85-F111 HydrophobicContact CD1-CE1 4.41Å; Y85-F111 AromaticContact CD1-CE2 3.88Å; Y85-F111 HydrophobicContact CD1-CE2 3.88Å; Y85-F111 AromaticContact CD1-CZ 3.6Å; Y85-F111 HydrophobicContact CD1-CZ 3.6Å; Y85-F111 AromaticContact CE1-CE1 3.86Å; Y85-F111 HydrophobicContact CE1-CE1 3.86Å; Y85-F111 HydrophobicContact CE1-CE2 4.16Å; Y85-F111 AromaticContact CE1-CZ 3.48Å; Y85-F111 HydrophobicContact CE1-CZ 3.48Å; Y85-F111 VanDerWaalsContact CE1-CZ 3.48Å; Y85-L115 WeakPolarHBondContact OH-CA 3.46Å; Y85-L115 WeakPolarHBondContact OH-CD1 3.18Å; Y85-H118 HydrophobicContact CE2-CB 4.26Å; Y85-H118 AromaticContact CE2-ND1 3.47Å; Y85-H118 WeakPolarHBondContact CE2-ND1 3.49Å; Y85-H118 AromaticContact CZ-ND1 3.72Å; Y85-H118 WeakPolarHBondContact OH-CB 3.48Å; Y85-H118 PolarHBondContact OH-ND1 3.25Å; Y85-H118 VanDerWaalsContact OH-ND1 3.16Å; Y85-I255 HydrophobicContact CD1-CG2 4.44Å; Y85-I255 HydrophobicContact CD2-CG2 4.19Å; Y85-I255 HydrophobicContact CE1-CG2 4.36Å; Y85-I255 HydrophobicContact CE2-CG2 4.1Å; Y85-I255 HydrophobicContact CG-CG2 4.36Å |
| 86 | T | 97.1 | Very high | 95.1 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 177.5 | -65.4 | 0 | 0 | 0 | 0 | 111.1 | C21 L22 T82 L88 C89 V90 | C21-T86 VanDerWaalsContact CB-OG1 3.27Å; C21-T86 WeakPolarHBondContact CB-OG1 3.36Å; L22-T86 HydrophobicContact CB-CG2 4.32Å; L22-T86 HydrophobicContact CD1-CG2 4.31Å; L22-T86 PolarHBondContact N-OG1 3.24Å; T82-T86 VanDerWaalsContact O-CB 3.31Å; T82-T86 WeakPolarHBondContact O-CB 3.16Å; T82-T86 PolarHBondContact O-N 3.03Å; T82-T86 PolarHBondContact O-OG1 3.42Å; T86-L88 PolarHBondContact O-N 3.38Å; T86-C89 PolarHBondContact O-N 2.91Å; T86-V90 WeakPolarHBondContact O-CG2 3.42Å; T86-V90 PolarHBondContact O-N 3.16Å |
| 87 | S | 96.9 | Very high | 95.2 | Very high | 71 Ų | 71 | 41.4 Ų | 41.4 | 50% | 0.497 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 178.3 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | V83 S84 Y85 V90 Y91 | V83-S87 WeakPolarHBondContact O-CB 3.44Å; V83-S87 PolarHBondContact O-N 2.78Å; V83-S87 PolarHBondContact O-OG 2.95Å; S84-S87 PolarHBondContact O-N 3.45Å; Y85-S87 VanDerWaalsContact C-N 3.32Å; Y85-S87 PolarHBondContact O-N 3.38Å; S87-V90 PolarHBondContact O-N 2.89Å; S87-Y91 WeakPolarHBondContact O-CB 3.38Å; S87-Y91 PolarHBondContact O-N 3.49Å |
| 88 | L | 97.3 | Very high | 95.1 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 176.5 | -72 | 172 | 0 | 0 | 0 | 112.5 | S84 Y85 T86 Y91 G92 Y107 L110 F111 C114 | S84-L88 WeakPolarHBondContact O-CG 3.33Å; S84-L88 PolarHBondContact O-N 3.35Å; Y85-L88 PolarHBondContact O-N 3.23Å; T86-L88 PolarHBondContact O-N 3.38Å; L88-Y91 PolarHBondContact O-N 2.73Å; L88-G92 PolarHBondContact O-N 2.86Å; L88-Y107 WeakPolarHBondContact O-CE2 3.28Å; L88-L110 HydrophobicContact CD2-CB 3.78Å; L88-L110 HydrophobicContact CD2-CD1 4.38Å; L88-F111 HydrophobicContact CB-CD2 3.9Å; L88-F111 HydrophobicContact CB-CE2 4.31Å; L88-F111 HydrophobicContact CD1-CB 4.34Å; L88-F111 HydrophobicContact CD1-CD2 3.96Å; L88-F111 HydrophobicContact CD1-CG 4.39Å; L88-C114 HydrophobicContact CD1-CB 3.95Å; L88-C114 VanDerWaalsContact CD1-SG 3.59Å |
| 89 | C | 97.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 177.1 | -73.5 | 0 | 0 | 0 | 0 | 112.3 | N14 Y85 T86 G92 F93 | N14-C89 WeakPolarHBondContact OD1-CA 3.46Å; Y85-C89 WeakPolarHBondContact O-CB 3.1Å; Y85-C89 PolarHBondContact O-N 2.85Å; Y85-C89 PolarHBondContact O-SG 3.39Å; T86-C89 PolarHBondContact O-N 2.91Å; C89-G92 PolarHBondContact O-N 3.31Å; C89-F93 WeakPolarHBondContact O-CB 3.34Å; C89-F93 PolarHBondContact O-N 3.31Å |
| 90 | V | 97 | Very high | 94.8 | Very high | 82 Ų | 82 | 50.4 Ų | 50.4 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 172.2 | 171 | 0 | 0 | 0 | 0 | 110 | T86 S87 G92 F93 L94 | T86-V90 WeakPolarHBondContact O-CG2 3.42Å; T86-V90 PolarHBondContact O-N 3.16Å; S87-V90 PolarHBondContact O-N 2.89Å; V90-G92 PolarHBondContact O-N 2.97Å; V90-F93 PolarHBondContact O-N 2.97Å; V90-L94 HydrophobicContact CG1-CD1 4.09Å; V90-L94 VanDerWaalsContact O-CG 3.31Å; V90-L94 WeakPolarHBondContact O-CG 3.44Å; V90-L94 PolarHBondContact O-N 2.75Å |
| 91 | Y | 97.3 | Very high | 94.8 | Very high | 60 Ų | 60 | 49 Ų | 49 | 24% | 0.235 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 176 | 179.1 | -116.7 | 0 | 0 | 0 | 111.6 | S87 L88 F93 L94 I95 Y103 I106 Y107 | S87-Y91 WeakPolarHBondContact O-CB 3.38Å; S87-Y91 PolarHBondContact O-N 3.49Å; L88-Y91 PolarHBondContact O-N 2.73Å; Y91-F93 PolarHBondContact O-N 3.35Å; Y91-L94 PolarHBondContact O-N 3.38Å; Y91-L94 VanDerWaalsContact O-N 3.13Å; Y91-I95 HydrophobicContact CD2-CG2 3.91Å; Y91-I95 HydrophobicContact CE1-CD1 4.23Å; Y91-I95 HydrophobicContact CE1-CG2 4.15Å; Y91-I95 HydrophobicContact CE2-CG2 3.48Å; Y91-I95 VanDerWaalsContact CE2-CG2 3.48Å; Y91-I95 HydrophobicContact CG-CG2 4.4Å; Y91-I95 WeakPolarHBondContact O-CG1 3.48Å; Y91-I95 WeakPolarHBondContact O-CG2 3.32Å; Y91-I95 PolarHBondContact O-N 2.91Å; Y91-Y103 WeakPolarHBondContact OH-CA 3.24Å; Y91-Y103 WeakPolarHBondContact OH-CD1 3.36Å; Y91-Y103 PolarHBondContact OH-O 3.26Å; Y91-Y103 VanDerWaalsContact OH-O 3.11Å; Y91-I106 HydrophobicContact CE1-CG2 4.41Å; Y91-Y107 AromaticContact CD1-CD2 3.9Å; Y91-Y107 HydrophobicContact CD1-CD2 3.9Å; Y91-Y107 HydrophobicContact CE1-CD2 4.41Å |
| 92 | G | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.3 | -44.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F10 L88 C89 V90 L94 I95 S96 Y107 | F10-G92 VanDerWaalsContact CE1-O 3.28Å; F10-G92 WeakPolarHBondContact CE1-O 3.47Å; L88-G92 PolarHBondContact O-N 2.86Å; C89-G92 PolarHBondContact O-N 3.31Å; V90-G92 PolarHBondContact O-N 2.97Å; G92-L94 PolarHBondContact O-N 3.35Å; G92-I95 WeakPolarHBondContact O-CG1 3.41Å; G92-S96 PolarHBondContact O-N 3.17Å; G92-Y107 VanDerWaalsContact CA-CE2 3.5Å |
| 93 | F | 95.8 | Very high | 94.9 | Very high | 67 Ų | 67 | 55 Ų | 55 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 175.4 | -175.3 | -92 | 0 | 0 | 0 | 112.1 | K11 N14 A15 C89 V90 Y91 S96 Y97 | K11-F93 HydrophobicContact CD-CE2 4.09Å; K11-F93 HydrophobicContact CG-CD2 3.75Å; K11-F93 HydrophobicContact CG-CE2 3.61Å; N14-F93 HydrophobicContact CB-CB 4.47Å; A15-F93 HydrophobicContact CB-CD2 4.12Å; A15-F93 HydrophobicContact CB-CE2 4.2Å; C89-F93 WeakPolarHBondContact O-CB 3.34Å; C89-F93 PolarHBondContact O-N 3.31Å; V90-F93 PolarHBondContact O-N 2.97Å; Y91-F93 PolarHBondContact O-N 3.35Å; F93-S96 WeakPolarHBondContact O-CB 3.23Å; F93-S96 PolarHBondContact O-OG 3.48Å; F93-Y97 HydrophobicContact CD1-CE2 4.27Å; F93-Y97 AromaticContact CE1-CE2 4Å; F93-Y97 HydrophobicContact CE1-CE2 4Å; F93-Y97 HydrophobicContact CZ-CE2 4.48Å; F93-Y97 WeakPolarHBondContact O-CD2 3.47Å; F93-Y97 WeakPolarHBondContact O-CE2 3.4Å |
| 94 | L | 94.9 | Very high | 94.8 | Very high | 107 Ų | 107 | 52.2 Ų | 52.2 | 56% | 0.56 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -70 | -42.9 | -179.4 | -66.8 | 174 | 0 | 0 | 0 | 112.5 | V90 Y91 G92 S96 Y97 | V90-L94 HydrophobicContact CG1-CD1 4.09Å; V90-L94 VanDerWaalsContact O-CG 3.31Å; V90-L94 WeakPolarHBondContact O-CG 3.44Å; V90-L94 PolarHBondContact O-N 2.75Å; Y91-L94 PolarHBondContact O-N 3.38Å; Y91-L94 VanDerWaalsContact O-N 3.13Å; G92-L94 PolarHBondContact O-N 3.35Å; L94-S96 PolarHBondContact O-N 3.48Å; L94-Y97 WeakPolarHBondContact O-CD2 3.48Å; L94-Y97 PolarHBondContact O-N 3.43Å |
| 95 | I | 95 | Very high | 94.8 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.046 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.9 | -17.8 | 179.9 | 68.5 | 173.6 | 0 | 0 | 0 | 112.7 | F10 Y91 G92 Y97 N98 Y103 F104 Y107 | F10-I95 HydrophobicContact CE1-CG1 4.3Å; F10-I95 HydrophobicContact CZ-CD1 4.49Å; Y91-I95 HydrophobicContact CD2-CG2 3.91Å; Y91-I95 HydrophobicContact CE1-CD1 4.23Å; Y91-I95 HydrophobicContact CE1-CG2 4.15Å; Y91-I95 HydrophobicContact CE2-CG2 3.48Å; Y91-I95 VanDerWaalsContact CE2-CG2 3.48Å; Y91-I95 HydrophobicContact CG-CG2 4.4Å; Y91-I95 WeakPolarHBondContact O-CG1 3.48Å; Y91-I95 WeakPolarHBondContact O-CG2 3.32Å; Y91-I95 PolarHBondContact O-N 2.91Å; G92-I95 WeakPolarHBondContact O-CG1 3.41Å; I95-Y97 PolarHBondContact O-N 3.13Å; I95-N98 WeakPolarHBondContact O-CB 3.25Å; I95-N98 PolarHBondContact O-N 3.17Å; I95-Y103 HydrophobicContact CG2-CG 4.39Å; I95-F104 HydrophobicContact CD1-CD1 3.95Å; I95-F104 HydrophobicContact CD1-CE1 4.16Å; I95-F104 HydrophobicContact CD1-CG 4.26Å; I95-F104 HydrophobicContact CG1-CD1 4.47Å; I95-F104 HydrophobicContact CG1-CE1 4.19Å; I95-F104 HydrophobicContact CG1-CZ 4.38Å; I95-F104 VanDerWaalsContact O-CZ 3.27Å; I95-F104 WeakPolarHBondContact O-CZ 3.47Å; I95-Y107 HydrophobicContact CD1-CD2 4.14Å; I95-Y107 HydrophobicContact CD1-CG 3.92Å |
| 96 | S | 92.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.6 | 177.7 | 76.5 | 0 | 0 | 0 | 0 | 113.3 | R7 G92 F93 L94 | R7-S96 PolarHBondContact NH1-O 2.82Å; G92-S96 PolarHBondContact O-N 3.17Å; F93-S96 WeakPolarHBondContact O-CB 3.23Å; F93-S96 PolarHBondContact O-OG 3.48Å; L94-S96 PolarHBondContact O-N 3.48Å |
| 97 | Y | 91.3 | Very high | 94.8 | Very high | 117 Ų | 117 | 56.2 Ų | 56.2 | 46% | 0.459 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -10.4 | 175.4 | -57.3 | -81 | 0 | 0 | 0 | 113.7 | M1 K11 F93 L94 I95 | M1-Y97 WeakPolarHBondContact CE-O 3.45Å; K11-Y97 WeakPolarHBondContact CE-OH 3.3Å; K11-Y97 PolarHBondContact NZ-OH 3.05Å; F93-Y97 HydrophobicContact CD1-CE2 4.27Å; F93-Y97 AromaticContact CE1-CE2 4Å; F93-Y97 HydrophobicContact CE1-CE2 4Å; F93-Y97 HydrophobicContact CZ-CE2 4.48Å; F93-Y97 WeakPolarHBondContact O-CD2 3.47Å; F93-Y97 WeakPolarHBondContact O-CE2 3.4Å; L94-Y97 WeakPolarHBondContact O-CD2 3.48Å; L94-Y97 PolarHBondContact O-N 3.43Å; I95-Y97 PolarHBondContact O-N 3.13Å |
| 98 | N | 89.8 | Confident | 94.8 | Very high | 62 Ų | 62 | 55 Ų | 55 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | trans | -93.2 | 153.7 | -177.1 | -152.2 | -39.8 | 0 | 0 | 0 | 111.6 | R7 I95 N100 Y103 | R7-N98 PolarHBondContact NH1-O 3.43Å; R7-N98 PolarHBondContact NH2-O 3.1Å; I95-N98 WeakPolarHBondContact O-CB 3.25Å; I95-N98 PolarHBondContact O-N 3.17Å; N98-N100 PolarHBondContact OD1-N 2.99Å; N98-Y103 HydrophobicContact CB-CD2 4.42Å; N98-Y103 WeakPolarHBondContact ND2-CD2 3.41Å; N98-Y103 VanDerWaalsContact ND2-CE2 3.27Å; N98-Y103 WeakPolarHBondContact ND2-CE2 3.35Å | ||
| 99 | R | 87.7 | Confident | 94.8 | Very high | 154 Ų | 154 | 59 Ų | 59 | 58% | 0.581 | 29% | 0.29 | S | S | * | . | trans | -100 | -17.6 | 174.2 | -165.4 | 179.3 | 175.1 | -178.6 | -2.5 | 112.6 | T101 L273 A276 | R99-T101 PolarHBondContact O-N 3.33Å; R99-L273 HydrophobicContact CB-CD2 4.45Å; R99-L273 HydrophobicContact CG-CD2 3.57Å; R99-L273 WeakPolarHBondContact O-CD2 3.27Å; R99-A276 PolarHBondContact NH2-O 3.13Å | ||
| 100 | N | 91.5 | Very high | 94.7 | Very high | 67 Ų | 67 | 63 Ų | 63 | 36% | 0.358 | 31% | 0.311 | S | S | . | . | trans | -67.8 | 118 | -177.8 | -177.9 | -5 | 0 | 0 | 0 | 111.1 | N98 T102 Y103 | N98-N100 PolarHBondContact OD1-N 2.99Å; N100-T102 PolarHBondContact O-N 3.43Å; N100-T102 VanDerWaalsContact OD1-CB 3.25Å; N100-T102 WeakPolarHBondContact OD1-CB 3.37Å; N100-T102 PolarHBondContact OD1-N 2.85Å; N100-T102 PolarHBondContact OD1-OG1 3.08Å; N100-Y103 HydrophobicContact CB-CD2 3.76Å; N100-Y103 HydrophobicContact CB-CE2 3.98Å; N100-Y103 PolarHBondContact O-N 3.22Å | ||
| 101 | T | 93 | Very high | 94.7 | Very high | 39 Ų | 39 | 59.1 Ų | 59.1 | 24% | 0.239 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.1 | -30.1 | -179.9 | 48 | 0 | 0 | 0 | 0 | 112.8 | R99 Y103 F104 L105 L270 L273 | R99-T101 PolarHBondContact O-N 3.33Å; T101-Y103 VanDerWaalsContact C-N 3.29Å; T101-Y103 PolarHBondContact O-N 3.26Å; T101-F104 PolarHBondContact O-N 2.81Å; T101-F104 VanDerWaalsContact O-N 3.13Å; T101-L105 PolarHBondContact O-N 2.93Å; T101-L270 HydrophobicContact CG2-CD2 4.43Å; T101-L273 HydrophobicContact CG2-CB 3.7Å; T101-L273 HydrophobicContact CG2-CD1 3.9Å; T101-L273 HydrophobicContact CG2-CG 4.4Å |
| 102 | T | 95 | Very high | 94.7 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.8 | -41.7 | -179.6 | -49.1 | 0 | 0 | 0 | 0 | 112.1 | N100 F104 L105 I106 | N100-T102 PolarHBondContact O-N 3.43Å; N100-T102 VanDerWaalsContact OD1-CB 3.25Å; N100-T102 WeakPolarHBondContact OD1-CB 3.37Å; N100-T102 PolarHBondContact OD1-N 2.85Å; N100-T102 PolarHBondContact OD1-OG1 3.08Å; T102-F104 VanDerWaalsContact C-N 3.34Å; T102-F104 PolarHBondContact O-N 3.27Å; T102-L105 PolarHBondContact O-N 3.13Å; T102-I106 HydrophobicContact CG2-CD1 4.13Å; T102-I106 WeakPolarHBondContact O-CG1 3.35Å; T102-I106 PolarHBondContact O-N 3.14Å |
| 103 | Y | 96 | Very high | 94.7 | Very high | 96 Ų | 96 | 60.6 Ų | 60.6 | 38% | 0.376 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.8 | -36 | -179.5 | -67.2 | -57.6 | 0 | 0 | 0 | 112.7 | Y91 I95 N98 N100 T101 Y107 | Y91-Y103 WeakPolarHBondContact OH-CA 3.24Å; Y91-Y103 WeakPolarHBondContact OH-CD1 3.36Å; Y91-Y103 PolarHBondContact OH-O 3.26Å; Y91-Y103 VanDerWaalsContact OH-O 3.11Å; I95-Y103 HydrophobicContact CG2-CG 4.39Å; N98-Y103 HydrophobicContact CB-CD2 4.42Å; N98-Y103 WeakPolarHBondContact ND2-CD2 3.41Å; N98-Y103 VanDerWaalsContact ND2-CE2 3.27Å; N98-Y103 WeakPolarHBondContact ND2-CE2 3.35Å; N100-Y103 HydrophobicContact CB-CD2 3.76Å; N100-Y103 HydrophobicContact CB-CE2 3.98Å; N100-Y103 PolarHBondContact O-N 3.22Å; T101-Y103 VanDerWaalsContact C-N 3.29Å; T101-Y103 PolarHBondContact O-N 3.26Å; Y103-Y107 WeakPolarHBondContact O-CB 3.39Å; Y103-Y107 PolarHBondContact O-N 3.4Å |
| 104 | F | 95.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70 | -39.8 | 175.9 | -73.8 | -85.2 | 0 | 0 | 0 | 111.6 | F10 I95 T101 T102 Y107 E108 V269 L270 L273 | F10-F104 HydrophobicContact CD1-CE1 4.24Å; F10-F104 HydrophobicContact CE1-CD1 4.45Å; F10-F104 AromaticContact CE1-CE1 3.82Å; F10-F104 HydrophobicContact CE1-CE1 3.82Å; F10-F104 HydrophobicContact CZ-CD1 4.49Å; F10-F104 HydrophobicContact CZ-CE1 4.29Å; I95-F104 HydrophobicContact CD1-CD1 3.95Å; I95-F104 HydrophobicContact CD1-CE1 4.16Å; I95-F104 HydrophobicContact CD1-CG 4.26Å; I95-F104 HydrophobicContact CG1-CD1 4.47Å; I95-F104 HydrophobicContact CG1-CE1 4.19Å; I95-F104 HydrophobicContact CG1-CZ 4.38Å; I95-F104 VanDerWaalsContact O-CZ 3.27Å; I95-F104 WeakPolarHBondContact O-CZ 3.47Å; T101-F104 PolarHBondContact O-N 2.81Å; T101-F104 VanDerWaalsContact O-N 3.13Å; T102-F104 VanDerWaalsContact C-N 3.34Å; T102-F104 PolarHBondContact O-N 3.27Å; F104-Y107 WeakPolarHBondContact O-CB 3.36Å; F104-Y107 PolarHBondContact O-N 2.92Å; F104-E108 WeakPolarHBondContact O-CB 3.18Å; F104-E108 PolarHBondContact O-N 3.45Å; F104-V269 HydrophobicContact CD1-CB 4.47Å; F104-V269 HydrophobicContact CD1-CG1 3.99Å; F104-V269 HydrophobicContact CE1-CB 4.27Å; F104-V269 HydrophobicContact CE1-CG1 3.56Å; F104-V269 HydrophobicContact CE2-CG1 4.26Å; F104-V269 HydrophobicContact CZ-CG1 3.71Å; F104-L270 HydrophobicContact CB-CD1 4.43Å; F104-L270 HydrophobicContact CB-CD2 3.58Å; F104-L270 HydrophobicContact CB-CG 3.91Å; F104-L273 HydrophobicContact CD2-CD1 3.82Å; F104-L273 HydrophobicContact CE2-CD1 3.95Å |
| 105 | L | 96.3 | Very high | 94.8 | Very high | 72 Ų | 72 | 54.8 Ų | 54.8 | 38% | 0.377 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 174.1 | -69.1 | 171.8 | 0 | 0 | 0 | 111.9 | T101 T102 Y107 E108 V109 L270 | T101-L105 PolarHBondContact O-N 2.93Å; T102-L105 PolarHBondContact O-N 3.13Å; L105-Y107 VanDerWaalsContact C-N 3.35Å; L105-Y107 PolarHBondContact O-N 3.36Å; L105-E108 PolarHBondContact O-N 3.06Å; L105-V109 WeakPolarHBondContact O-CG2 3.28Å; L105-V109 PolarHBondContact O-N 3.34Å; L105-L270 HydrophobicContact CD2-CD1 3.89Å; L105-L270 HydrophobicContact CD2-CD2 4.23Å; L105-L270 HydrophobicContact CG-CD2 4.15Å |
| 106 | I | 96.6 | Very high | 94.9 | Very high | 78 Ų | 78 | 59.5 Ų | 59.5 | 40% | 0.4 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 175.2 | -67.5 | 167 | 0 | 0 | 0 | 110.7 | Y91 T102 L110 | Y91-I106 HydrophobicContact CE1-CG2 4.41Å; T102-I106 HydrophobicContact CG2-CD1 4.13Å; T102-I106 WeakPolarHBondContact O-CG1 3.35Å; T102-I106 PolarHBondContact O-N 3.14Å; I106-L110 HydrophobicContact CG2-CD1 3.75Å; I106-L110 HydrophobicContact CG2-CG 4.34Å; I106-L110 WeakPolarHBondContact O-CB 3.37Å; I106-L110 VanDerWaalsContact O-CG 3.31Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 2.84Å |
| 107 | Y | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.1 | -49.6 | 175.9 | 173.6 | -85.6 | 0 | 0 | 0 | 111.3 | F10 N14 L88 Y91 G92 I95 Y103 F104 L105 V109 L110 F111 C266 | F10-Y107 HydrophobicContact CE2-CD1 4.28Å; F10-Y107 AromaticContact CE2-CE1 3.71Å; F10-Y107 HydrophobicContact CE2-CE1 3.71Å; F10-Y107 HydrophobicContact CZ-CD1 4.09Å; F10-Y107 AromaticContact CZ-CE1 3.82Å; F10-Y107 HydrophobicContact CZ-CE1 3.82Å; F10-Y107 HydrophobicContact CZ-CE2 4.31Å; F10-Y107 HydrophobicContact CZ-CG 4.48Å; F10-Y107 AromaticContact CZ-CZ 3.95Å; N14-Y107 PolarHBondContact OD1-OH 2.75Å; N14-Y107 VanDerWaalsContact OD1-OH 3.1Å; L88-Y107 WeakPolarHBondContact O-CE2 3.28Å; Y91-Y107 AromaticContact CD1-CD2 3.9Å; Y91-Y107 HydrophobicContact CD1-CD2 3.9Å; Y91-Y107 HydrophobicContact CE1-CD2 4.41Å; G92-Y107 VanDerWaalsContact CA-CE2 3.5Å; I95-Y107 HydrophobicContact CD1-CD2 4.14Å; I95-Y107 HydrophobicContact CD1-CG 3.92Å; Y103-Y107 WeakPolarHBondContact O-CB 3.39Å; Y103-Y107 PolarHBondContact O-N 3.4Å; F104-Y107 WeakPolarHBondContact O-CB 3.36Å; F104-Y107 PolarHBondContact O-N 2.92Å; L105-Y107 VanDerWaalsContact C-N 3.35Å; L105-Y107 PolarHBondContact O-N 3.36Å; Y107-V109 PolarHBondContact O-N 3.1Å; Y107-L110 PolarHBondContact O-N 2.85Å; Y107-F111 HydrophobicContact CD1-CB 4.49Å; Y107-F111 HydrophobicContact CE1-CB 4.18Å; Y107-F111 HydrophobicContact CE1-CD2 4.25Å; Y107-F111 HydrophobicContact CE1-CG 4.29Å; Y107-F111 HydrophobicContact CE2-CD2 4Å; Y107-F111 AromaticContact CZ-CD2 3.61Å; Y107-F111 WeakPolarHBondContact O-CB 3.15Å; Y107-F111 PolarHBondContact O-N 3.47Å; Y107-F111 VanDerWaalsContact OH-CD2 3.3Å; Y107-F111 WeakPolarHBondContact OH-CD2 3.37Å; Y107-C266 HydrophobicContact CD1-CB 4.29Å; Y107-C266 HydrophobicContact CE1-CB 4.3Å |
| 108 | E | 96 | Very high | 95.2 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.3 | -47.5 | -178.2 | -176.7 | -177.3 | -174.1 | 0 | 0 | 111.7 | F104 L105 S112 I267 L270 | F104-E108 WeakPolarHBondContact O-CB 3.18Å; F104-E108 PolarHBondContact O-N 3.45Å; L105-E108 PolarHBondContact O-N 3.06Å; E108-S112 WeakPolarHBondContact O-CB 3.28Å; E108-S112 PolarHBondContact O-N 2.56Å; E108-S112 PolarHBondContact O-OG 3.48Å; E108-I267 WeakPolarHBondContact OE1-CG1 3.34Å; E108-L270 VanDerWaalsContact OE2-CD1 3.25Å; E108-L270 WeakPolarHBondContact OE2-CD1 2.96Å |
| 109 | V | 97.2 | Very high | 95.4 | Very high | 100 Ų | 100 | 57 Ų | 57 | 61% | 0.606 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64 | -50.3 | 179.8 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L105 Y107 S112 A113 | L105-V109 WeakPolarHBondContact O-CG2 3.28Å; L105-V109 PolarHBondContact O-N 3.34Å; Y107-V109 PolarHBondContact O-N 3.1Å; V109-S112 PolarHBondContact O-N 2.8Å; V109-A113 WeakPolarHBondContact O-CB 3.39Å; V109-A113 PolarHBondContact O-N 3.49Å |
| 110 | L | 97.1 | Very high | 95.7 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 45% | 0.45 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | -178.1 | -68.2 | 176.3 | 0 | 0 | 0 | 112.2 | L88 I106 Y107 A113 C114 | L88-L110 HydrophobicContact CD2-CB 3.78Å; L88-L110 HydrophobicContact CD2-CD1 4.38Å; I106-L110 HydrophobicContact CG2-CD1 3.75Å; I106-L110 HydrophobicContact CG2-CG 4.34Å; I106-L110 WeakPolarHBondContact O-CB 3.37Å; I106-L110 VanDerWaalsContact O-CG 3.31Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 2.84Å; Y107-L110 PolarHBondContact O-N 2.85Å; L110-A113 PolarHBondContact O-N 2.85Å; L110-C114 PolarHBondContact O-N 2.98Å; L110-C114 PolarHBondContact O-SG 2.82Å; L110-C114 VanDerWaalsContact O-SG 3.41Å |
| 111 | F | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.5 | -42 | 179.1 | -160.5 | -72.8 | 0 | 0 | 0 | 111.2 | Y85 L88 Y107 C114 L115 G259 M262 I263 | Y85-F111 HydrophobicContact CD1-CE1 4.41Å; Y85-F111 AromaticContact CD1-CE2 3.88Å; Y85-F111 HydrophobicContact CD1-CE2 3.88Å; Y85-F111 AromaticContact CD1-CZ 3.6Å; Y85-F111 HydrophobicContact CD1-CZ 3.6Å; Y85-F111 AromaticContact CE1-CE1 3.86Å; Y85-F111 HydrophobicContact CE1-CE1 3.86Å; Y85-F111 HydrophobicContact CE1-CE2 4.16Å; Y85-F111 AromaticContact CE1-CZ 3.48Å; Y85-F111 HydrophobicContact CE1-CZ 3.48Å; Y85-F111 VanDerWaalsContact CE1-CZ 3.48Å; L88-F111 HydrophobicContact CB-CD2 3.9Å; L88-F111 HydrophobicContact CB-CE2 4.31Å; L88-F111 HydrophobicContact CD1-CB 4.34Å; L88-F111 HydrophobicContact CD1-CD2 3.96Å; L88-F111 HydrophobicContact CD1-CG 4.39Å; Y107-F111 HydrophobicContact CD1-CB 4.49Å; Y107-F111 HydrophobicContact CE1-CB 4.18Å; Y107-F111 HydrophobicContact CE1-CD2 4.25Å; Y107-F111 HydrophobicContact CE1-CG 4.29Å; Y107-F111 HydrophobicContact CE2-CD2 4Å; Y107-F111 AromaticContact CZ-CD2 3.61Å; Y107-F111 WeakPolarHBondContact O-CB 3.15Å; Y107-F111 PolarHBondContact O-N 3.47Å; Y107-F111 VanDerWaalsContact OH-CD2 3.3Å; Y107-F111 WeakPolarHBondContact OH-CD2 3.37Å; F111-C114 PolarHBondContact O-N 3.47Å; F111-L115 WeakPolarHBondContact O-CB 3.5Å; F111-L115 PolarHBondContact O-N 3.3Å; F111-G259 VanDerWaalsContact CE1-CA 3.41Å; F111-M262 HydrophobicContact CE1-CE 4.16Å; F111-M262 HydrophobicContact CE2-CE 3.69Å; F111-M262 HydrophobicContact CE2-SD 4.29Å; F111-M262 HydrophobicContact CZ-CE 3.25Å; F111-M262 HydrophobicContact CZ-SD 4.34Å; F111-I263 HydrophobicContact CD1-CD1 4.01Å; F111-I263 HydrophobicContact CD1-CG1 3.82Å; F111-I263 HydrophobicContact CE1-CG1 4.5Å |
| 112 | S | 96.7 | Very high | 95.7 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 175.1 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | E108 V109 C114 L115 I116 | E108-S112 WeakPolarHBondContact O-CB 3.28Å; E108-S112 PolarHBondContact O-N 2.56Å; E108-S112 PolarHBondContact O-OG 3.48Å; V109-S112 PolarHBondContact O-N 2.8Å; S112-C114 PolarHBondContact O-N 2.8Å; S112-L115 PolarHBondContact O-N 2.88Å; S112-I116 VanDerWaalsContact O-CG1 3.27Å; S112-I116 WeakPolarHBondContact O-CG1 3.48Å; S112-I116 PolarHBondContact O-N 3.5Å |
| 113 | A | 96.8 | Very high | 95.5 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 49% | 0.488 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V109 L110 L115 I116 G117 | V109-A113 WeakPolarHBondContact O-CB 3.39Å; V109-A113 PolarHBondContact O-N 3.49Å; L110-A113 PolarHBondContact O-N 2.85Å; A113-L115 PolarHBondContact O-N 3.3Å; A113-I116 PolarHBondContact O-N 3.01Å; A113-G117 PolarHBondContact O-N 2.92Å |
| 114 | C | 96.3 | Very high | 95.1 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 28% | 0.277 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 175.1 | -73.7 | 0 | 0 | 0 | 0 | 112.1 | L88 L110 F111 S112 G117 H118 | L88-C114 HydrophobicContact CD1-CB 3.95Å; L88-C114 VanDerWaalsContact CD1-SG 3.59Å; L110-C114 PolarHBondContact O-N 2.98Å; L110-C114 PolarHBondContact O-SG 2.82Å; L110-C114 VanDerWaalsContact O-SG 3.41Å; F111-C114 PolarHBondContact O-N 3.47Å; S112-C114 PolarHBondContact O-N 2.8Å; C114-G117 PolarHBondContact O-N 2.8Å; C114-H118 WeakPolarHBondContact O-CB 3.38Å; C114-H118 PolarHBondContact O-N 3.3Å |
| 115 | L | 96.5 | Very high | 94.7 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 178.5 | -174.4 | 65.2 | 0 | 0 | 0 | 112.2 | Y85 F111 S112 A113 H118 L119 I256 I260 I263 | Y85-L115 WeakPolarHBondContact OH-CA 3.46Å; Y85-L115 WeakPolarHBondContact OH-CD1 3.18Å; F111-L115 WeakPolarHBondContact O-CB 3.5Å; F111-L115 PolarHBondContact O-N 3.3Å; S112-L115 PolarHBondContact O-N 2.88Å; A113-L115 PolarHBondContact O-N 3.3Å; L115-H118 PolarHBondContact O-N 3.07Å; L115-L119 HydrophobicContact CG-CD1 4.42Å; L115-L119 WeakPolarHBondContact O-CB 3.32Å; L115-L119 WeakPolarHBondContact O-CG 3.44Å; L115-L119 PolarHBondContact O-N 3.03Å; L115-I256 HydrophobicContact CD1-CB 4.18Å; L115-I256 HydrophobicContact CD1-CG1 4.07Å; L115-I256 HydrophobicContact CD1-CG2 4.06Å; L115-I260 HydrophobicContact CD2-CG1 3.89Å; L115-I263 HydrophobicContact CD2-CD1 3.55Å |
| 116 | I | 96.6 | Very high | 94.3 | Very high | 107 Ų | 107 | 53.1 Ų | 53.1 | 55% | 0.549 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 174.3 | -67.7 | 165.2 | 0 | 0 | 0 | 110 | S112 A113 H118 L119 V120 | S112-I116 VanDerWaalsContact O-CG1 3.27Å; S112-I116 WeakPolarHBondContact O-CG1 3.48Å; S112-I116 PolarHBondContact O-N 3.5Å; A113-I116 PolarHBondContact O-N 3.01Å; I116-H118 VanDerWaalsContact C-N 3.31Å; I116-H118 PolarHBondContact O-N 3.48Å; I116-L119 PolarHBondContact O-N 3.33Å; I116-V120 HydrophobicContact CG2-CG2 4.39Å; I116-V120 WeakPolarHBondContact O-CG2 3.2Å; I116-V120 PolarHBondContact O-N 3.39Å |
| 117 | G | 95.5 | Very high | 93.9 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 44% | 0.443 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.3 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A113 C114 V120 L121 | A113-G117 PolarHBondContact O-N 2.92Å; C114-G117 PolarHBondContact O-N 2.8Å; G117-V120 PolarHBondContact O-N 3.15Å; G117-L121 WeakPolarHBondContact O-CB 3.31Å; G117-L121 PolarHBondContact O-N 3.48Å |
| 118 | H | 95.5 | Very high | 93.4 | Very high | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 176.4 | -172.5 | -168.6 | 0 | 0 | 0 | 112.1 | Y85 C114 L115 I116 V120 L121 V122 S252 | Y85-H118 HydrophobicContact CE2-CB 4.26Å; Y85-H118 AromaticContact CE2-ND1 3.47Å; Y85-H118 WeakPolarHBondContact CE2-ND1 3.49Å; Y85-H118 AromaticContact CZ-ND1 3.72Å; Y85-H118 WeakPolarHBondContact OH-CB 3.48Å; Y85-H118 PolarHBondContact OH-ND1 3.25Å; Y85-H118 VanDerWaalsContact OH-ND1 3.16Å; C114-H118 WeakPolarHBondContact O-CB 3.38Å; C114-H118 PolarHBondContact O-N 3.3Å; L115-H118 PolarHBondContact O-N 3.07Å; I116-H118 VanDerWaalsContact C-N 3.31Å; I116-H118 PolarHBondContact O-N 3.48Å; H118-V120 PolarHBondContact O-N 2.82Å; H118-L121 PolarHBondContact O-N 2.7Å; H118-V122 WeakPolarHBondContact O-CG2 3.48Å; H118-V122 PolarHBondContact O-N 2.93Å; H118-S252 WeakPolarHBondContact NE2-CB 3.43Å; H118-S252 PolarHBondContact NE2-OG 3.09Å; H118-S252 VanDerWaalsContact NE2-OG 3.13Å |
| 119 | L | 94.6 | Very high | 93 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 43% | 0.429 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 174.3 | -80 | 168.1 | 0 | 0 | 0 | 112.2 | L115 I116 V122 G123 I256 | L115-L119 HydrophobicContact CG-CD1 4.42Å; L115-L119 WeakPolarHBondContact O-CB 3.32Å; L115-L119 WeakPolarHBondContact O-CG 3.44Å; L115-L119 PolarHBondContact O-N 3.03Å; I116-L119 PolarHBondContact O-N 3.33Å; L119-V122 PolarHBondContact O-N 2.73Å; L119-G123 PolarHBondContact O-N 3.35Å; L119-I256 HydrophobicContact CD2-CD1 3.88Å; L119-I256 HydrophobicContact CD2-CG1 4.44Å; L119-I256 HydrophobicContact CD2-CG2 3.89Å; L119-I256 HydrophobicContact CG-CD1 4.36Å; L119-I256 HydrophobicContact CG-CG2 4.36Å |
| 120 | V | 93.8 | Very high | 92.5 | Very high | 78 Ų | 78 | 59.1 Ų | 59.1 | 47% | 0.473 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 176 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | I116 G117 H118 V122 G123 M124 | I116-V120 HydrophobicContact CG2-CG2 4.39Å; I116-V120 WeakPolarHBondContact O-CG2 3.2Å; I116-V120 PolarHBondContact O-N 3.39Å; G117-V120 PolarHBondContact O-N 3.15Å; H118-V120 PolarHBondContact O-N 2.82Å; V120-V122 PolarHBondContact O-N 3.03Å; V120-G123 PolarHBondContact O-N 3.35Å; V120-M124 HydrophobicContact CG1-CG 4.22Å; V120-M124 HydrophobicContact CG1-SD 3.9Å; V120-M124 WeakPolarHBondContact O-CB 3.43Å; V120-M124 VanDerWaalsContact O-CG 3.28Å; V120-M124 WeakPolarHBondContact O-CG 3.22Å; V120-M124 PolarHBondContact O-N 3.26Å |
| 121 | L | 91.3 | Very high | 92.1 | Very high | 75 Ų | 75 | 58.7 Ų | 58.7 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 177.3 | -178.9 | 69.7 | 0 | 0 | 0 | 111.7 | P77 G117 H118 M124 F125 | P77-L121 HydrophobicContact CB-CD2 3.9Å; G117-L121 WeakPolarHBondContact O-CB 3.31Å; G117-L121 PolarHBondContact O-N 3.48Å; H118-L121 PolarHBondContact O-N 2.7Å; L121-M124 PolarHBondContact O-N 2.97Å; L121-F125 WeakPolarHBondContact O-CB 3.3Å; L121-F125 PolarHBondContact O-N 3.02Å |
| 122 | V | 92.2 | Very high | 91.6 | Very high | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | H118 L119 V120 F125 L126 S252 L253 I256 | H118-V122 WeakPolarHBondContact O-CG2 3.48Å; H118-V122 PolarHBondContact O-N 2.93Å; L119-V122 PolarHBondContact O-N 2.73Å; V120-V122 PolarHBondContact O-N 3.03Å; V122-F125 PolarHBondContact O-N 3.41Å; V122-L126 HydrophobicContact CG1-CD1 3.72Å; V122-L126 HydrophobicContact CG1-CG 4.22Å; V122-L126 WeakPolarHBondContact O-CB 3.44Å; V122-L126 WeakPolarHBondContact O-CG 3.46Å; V122-L126 PolarHBondContact O-N 3.16Å; V122-S252 WeakPolarHBondContact CG2-OG 3.49Å; V122-L253 HydrophobicContact CG1-CD2 4.45Å; V122-I256 HydrophobicContact CG2-CD1 4.37Å |
| 123 | G | 90.4 | Very high | 91.4 | Very high | 38 Ų | 38 | 62 Ų | 62 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L119 V120 F125 K127 | L119-G123 PolarHBondContact O-N 3.35Å; V120-G123 PolarHBondContact O-N 3.35Å; G123-F125 VanDerWaalsContact C-N 3.34Å; G123-K127 WeakPolarHBondContact O-CB 3.11Å; G123-K127 PolarHBondContact O-N 2.95Å |
| 124 | M | 88.6 | Confident | 91.1 | Very high | 131 Ų | 131 | 65.5 Ų | 65.5 | 65% | 0.645 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.5 | -43.7 | 174.9 | -74.2 | -179.9 | 68.6 | 0 | 0 | 111.2 | V120 L121 D128 | V120-M124 HydrophobicContact CG1-CG 4.22Å; V120-M124 HydrophobicContact CG1-SD 3.9Å; V120-M124 WeakPolarHBondContact O-CB 3.43Å; V120-M124 VanDerWaalsContact O-CG 3.28Å; V120-M124 WeakPolarHBondContact O-CG 3.22Å; V120-M124 PolarHBondContact O-N 3.26Å; L121-M124 PolarHBondContact O-N 2.97Å; M124-D128 PolarHBondContact O-N 3.29Å |
| 125 | F | 86.6 | Confident | 90.8 | Very high | 18 Ų | 18 | 68.1 Ų | 68.1 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.1 | -51.4 | 177.9 | 173.4 | -96.6 | 0 | 0 | 0 | 112.4 | L121 V122 G123 K127 D128 T129 I132 V245 S249 | L121-F125 WeakPolarHBondContact O-CB 3.3Å; L121-F125 PolarHBondContact O-N 3.02Å; V122-F125 PolarHBondContact O-N 3.41Å; G123-F125 VanDerWaalsContact C-N 3.34Å; F125-K127 VanDerWaalsContact C-N 3.31Å; F125-K127 PolarHBondContact O-N 3.21Å; F125-D128 CarbonylContact O-C 3.47Å; F125-T129 HydrophobicContact CE1-CG2 4.39Å; F125-T129 HydrophobicContact CZ-CG2 4.11Å; F125-T129 WeakPolarHBondContact O-CG2 3.47Å; F125-T129 PolarHBondContact O-N 3.39Å; F125-I132 HydrophobicContact CD2-CD1 3.22Å; F125-I132 HydrophobicContact CE2-CB 4.44Å; F125-I132 HydrophobicContact CE2-CD1 3.34Å; F125-I132 HydrophobicContact CE2-CG1 4.49Å; F125-I132 HydrophobicContact CE2-CG2 4.46Å; F125-V245 HydrophobicContact CD1-CG1 4.38Å; F125-V245 HydrophobicContact CD2-CG1 3.58Å; F125-V245 HydrophobicContact CE1-CB 4.34Å; F125-V245 HydrophobicContact CE1-CG1 3.92Å; F125-V245 HydrophobicContact CE2-CB 3.58Å; F125-V245 HydrophobicContact CE2-CG1 3.05Å; F125-V245 HydrophobicContact CG-CG1 4.24Å; F125-V245 HydrophobicContact CZ-CB 3.44Å; F125-V245 VanDerWaalsContact CZ-CB 3.44Å; F125-V245 HydrophobicContact CZ-CG1 3.24Å; F125-S249 WeakPolarHBondContact CD1-OG 3.09Å; F125-S249 WeakPolarHBondContact CE1-OG 3.3Å |
| 126 | L | 87.4 | Confident | 90.6 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 35% | 0.351 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.8 | -29 | -176.7 | -67.7 | 177 | 0 | 0 | 0 | 112.3 | V122 | V122-L126 HydrophobicContact CG1-CD1 3.72Å; V122-L126 HydrophobicContact CG1-CG 4.22Å; V122-L126 WeakPolarHBondContact O-CB 3.44Å; V122-L126 WeakPolarHBondContact O-CG 3.46Å; V122-L126 PolarHBondContact O-N 3.16Å |
| 127 | K | 88.6 | Confident | 90.5 | Very high | 191 Ų | 191 | 62.8 Ų | 62.8 | 83% | 0.83 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -71.6 | -39.6 | 178.1 | -177 | 179.5 | 177.7 | -177.2 | 0 | 112.5 | G123 F125 | G123-K127 WeakPolarHBondContact O-CB 3.11Å; G123-K127 PolarHBondContact O-N 2.95Å; F125-K127 VanDerWaalsContact C-N 3.31Å; F125-K127 PolarHBondContact O-N 3.21Å |
| 128 | D | 86.4 | Confident | 90.5 | Very high | 82 Ų | 82 | 61.8 Ų | 61.8 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | trans | -137.3 | 80.7 | -178.7 | -173.7 | 13.7 | 0 | 0 | 0 | 112.1 | M124 F125 S130 | M124-D128 PolarHBondContact O-N 3.29Å; F125-D128 CarbonylContact O-C 3.47Å; D128-S130 PolarHBondContact O-N 3.49Å; D128-S130 VanDerWaalsContact O-N 3.16Å; D128-S130 WeakPolarHBondContact OD1-CA 3.5Å; D128-S130 WeakPolarHBondContact OD1-CB 3.45Å; D128-S130 PolarHBondContact OD1-N 3.02Å; D128-S130 PolarHBondContact OD1-OG 2.99Å; D128-S130 PolarHBondContact OD2-OG 3.45Å | ||
| 129 | T | 87.5 | Confident | 90.3 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.5 | -11.1 | 172.3 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | F125 S131 R133 V242 | F125-T129 HydrophobicContact CE1-CG2 4.39Å; F125-T129 HydrophobicContact CZ-CG2 4.11Å; F125-T129 WeakPolarHBondContact O-CG2 3.47Å; F125-T129 PolarHBondContact O-N 3.39Å; T129-S131 VanDerWaalsContact C-N 3.34Å; T129-S131 PolarHBondContact O-N 3.33Å; T129-R133 WeakPolarHBondContact O-CB 3.33Å; T129-R133 PolarHBondContact O-N 3.49Å; T129-V242 HydrophobicContact CG2-CG1 3.96Å |
| 130 | S | 88.5 | Confident | 90.4 | Very high | 29 Ų | 29 | 58.4 Ų | 58.4 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.6 | -31.9 | -176.3 | 86.8 | 0 | 0 | 0 | 0 | 112.7 | D128 R133 K134 | D128-S130 PolarHBondContact O-N 3.49Å; D128-S130 VanDerWaalsContact O-N 3.16Å; D128-S130 WeakPolarHBondContact OD1-CA 3.5Å; D128-S130 WeakPolarHBondContact OD1-CB 3.45Å; D128-S130 PolarHBondContact OD1-N 3.02Å; D128-S130 PolarHBondContact OD1-OG 2.99Å; D128-S130 PolarHBondContact OD2-OG 3.45Å; S130-R133 PolarHBondContact O-N 3.4Å; S130-K134 WeakPolarHBondContact O-CB 2.99Å; S130-K134 VanDerWaalsContact O-CG 3.27Å; S130-K134 WeakPolarHBondContact O-CG 3.35Å; S130-K134 PolarHBondContact O-N 3.18Å |
| 131 | S | 86.9 | Confident | 90.5 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 53% | 0.531 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 178.7 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | T129 K134 Q135 | T129-S131 VanDerWaalsContact C-N 3.34Å; T129-S131 PolarHBondContact O-N 3.33Å; S131-K134 PolarHBondContact O-N 3.08Å; S131-Q135 PolarHBondContact O-N 3.02Å |
| 132 | I | 86.7 | Confident | 90.7 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.3 | -38.7 | 178.4 | -84.1 | 159.6 | 0 | 0 | 0 | 111.7 | F125 Q135 A136 F241 V245 | F125-I132 HydrophobicContact CD2-CD1 3.22Å; F125-I132 HydrophobicContact CE2-CB 4.44Å; F125-I132 HydrophobicContact CE2-CD1 3.34Å; F125-I132 HydrophobicContact CE2-CG1 4.49Å; F125-I132 HydrophobicContact CE2-CG2 4.46Å; I132-Q135 PolarHBondContact O-N 3.26Å; I132-A136 WeakPolarHBondContact O-CB 3.47Å; I132-A136 PolarHBondContact O-N 3.45Å; I132-F241 HydrophobicContact CG2-CD1 3.41Å; I132-F241 VanDerWaalsContact CG2-CD1 3.41Å; I132-F241 HydrophobicContact CG2-CE1 3.33Å; I132-V245 HydrophobicContact CD1-CG1 4.35Å; I132-V245 HydrophobicContact CG2-CG2 4.18Å |
| 133 | R | 92.2 | Very high | 90.8 | Very high | 73 Ų | 73 | 61.6 Ų | 61.6 | 28% | 0.275 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.6 | -51.5 | 172.2 | -177.1 | 172.3 | 61.6 | 150.2 | 0.1 | 111 | T129 S130 Q135 A136 E137 E235 V242 | T129-R133 WeakPolarHBondContact O-CB 3.33Å; T129-R133 PolarHBondContact O-N 3.49Å; S130-R133 PolarHBondContact O-N 3.4Å; R133-Q135 VanDerWaalsContact C-N 3.28Å; R133-Q135 PolarHBondContact O-N 2.85Å; R133-A136 PolarHBondContact O-N 3.08Å; R133-A136 VanDerWaalsContact O-N 3.16Å; R133-E137 WeakPolarHBondContact CD-OE1 3.38Å; R133-E137 HydrophobicContact CG-CG 4.25Å; R133-E137 WeakPolarHBondContact CG-OE1 3.43Å; R133-E137 IonicContact NE-OE1 3.73Å; R133-E137 WeakPolarHBondContact O-CB 3.47Å; R133-E137 VanDerWaalsContact O-CG 3.28Å; R133-E137 WeakPolarHBondContact O-CG 3.34Å; R133-E137 PolarHBondContact O-N 3.44Å; R133-E235 IonicContact NH1-OE1 3.08Å; R133-E235 IonicContact NH1-OE2 3.12Å; R133-E235 PolarHBondContact NH1-OE2 3.35Å; R133-E235 VanDerWaalsContact NH1-OE2 3.08Å; R133-V242 HydrophobicContact CB-CG2 3.73Å; R133-V242 HydrophobicContact CG-CG2 4.32Å |
| 134 | K | 91.9 | Very high | 91.1 | Very high | 132 Ų | 132 | 59.8 Ų | 59.8 | 57% | 0.574 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59 | -38.6 | 178.1 | -76.9 | 175.1 | -179.7 | 176.9 | 0 | 112.4 | S130 S131 G138 | S130-K134 WeakPolarHBondContact O-CB 2.99Å; S130-K134 VanDerWaalsContact O-CG 3.27Å; S130-K134 WeakPolarHBondContact O-CG 3.35Å; S130-K134 PolarHBondContact O-N 3.18Å; S131-K134 PolarHBondContact O-N 3.08Å; K134-G138 PolarHBondContact O-N 3.27Å |
| 135 | Q | 89.1 | Confident | 91.5 | Very high | 96 Ų | 96 | 57.6 Ų | 57.6 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 175.9 | -174.5 | 171.3 | 24.8 | 0 | 0 | 111.8 | P73 S131 I132 R133 G138 V139 | P73-Q135 VanDerWaalsContact CB-OE1 3.32Å; P73-Q135 HydrophobicContact CG-CG 4.22Å; S131-Q135 PolarHBondContact O-N 3.02Å; I132-Q135 PolarHBondContact O-N 3.26Å; R133-Q135 VanDerWaalsContact C-N 3.28Å; R133-Q135 PolarHBondContact O-N 2.85Å; Q135-G138 PolarHBondContact O-N 3.09Å; Q135-V139 WeakPolarHBondContact O-CG2 3.49Å; Q135-V139 PolarHBondContact O-N 3.48Å; Q135-V139 VanDerWaalsContact O-N 3.16Å |
| 136 | A | 92.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I132 R133 G138 V139 L140 F237 F241 | I132-A136 WeakPolarHBondContact O-CB 3.47Å; I132-A136 PolarHBondContact O-N 3.45Å; R133-A136 PolarHBondContact O-N 3.08Å; R133-A136 VanDerWaalsContact O-N 3.16Å; A136-G138 PolarHBondContact O-N 3.46Å; A136-V139 PolarHBondContact O-N 3.18Å; A136-L140 PolarHBondContact O-N 3.47Å; A136-F237 HydrophobicContact CB-CD1 4.35Å; A136-F237 HydrophobicContact CB-CE1 3.93Å; A136-F241 HydrophobicContact CB-CB 3.9Å; A136-F241 HydrophobicContact CB-CD1 3.78Å; A136-F241 HydrophobicContact CB-CD2 4.09Å; A136-F241 HydrophobicContact CB-CE1 4.4Å; A136-F241 HydrophobicContact CB-CG 3.61Å |
| 137 | E | 95.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 174.7 | -73.6 | 176.9 | -170.1 | 0 | 0 | 112.2 | R133 V139 L140 E141 Y172 R234 | R133-E137 WeakPolarHBondContact CD-OE1 3.38Å; R133-E137 HydrophobicContact CG-CG 4.25Å; R133-E137 WeakPolarHBondContact CG-OE1 3.43Å; R133-E137 IonicContact NE-OE1 3.73Å; R133-E137 WeakPolarHBondContact O-CB 3.47Å; R133-E137 VanDerWaalsContact O-CG 3.28Å; R133-E137 WeakPolarHBondContact O-CG 3.34Å; R133-E137 PolarHBondContact O-N 3.44Å; E137-V139 VanDerWaalsContact C-N 3.3Å; E137-V139 PolarHBondContact O-N 3.06Å; E137-L140 WeakPolarHBondContact O-CB 2.99Å; E137-L140 PolarHBondContact O-N 3.17Å; E137-L140 VanDerWaalsContact O-N 3.14Å; E137-E141 WeakPolarHBondContact O-CB 3.06Å; E137-E141 PolarHBondContact O-N 2.93Å; E137-Y172 HydrophobicContact CB-CE2 4.06Å; E137-Y172 WeakPolarHBondContact O-CE2 3.47Å; E137-R234 HydrophobicContact CB-CG 4.42Å; E137-R234 VanDerWaalsContact CD-CG 3.49Å; E137-R234 HydrophobicContact CG-CG 3.74Å; E137-R234 IonicContact OE1-NE 3.44Å; E137-R234 IonicContact OE2-CZ 2.75Å; E137-R234 IonicContact OE2-NE 3.83Å; E137-R234 PolarHBondContact OE2-NE 2.93Å; E137-R234 IonicContact OE2-NH2 2.85Å; E137-R234 PolarHBondContact OE2-NH2 3.36Å; E137-R234 VanDerWaalsContact OE2-NH2 3.12Å |
| 138 | G | 94.2 | Very high | 92.7 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.3 | -26.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K134 Q135 A136 K142 | K134-G138 PolarHBondContact O-N 3.27Å; Q135-G138 PolarHBondContact O-N 3.09Å; A136-G138 PolarHBondContact O-N 3.46Å; G138-K142 WeakPolarHBondContact O-CG 3.24Å; G138-K142 PolarHBondContact O-N 2.67Å |
| 139 | V | 93.3 | Very high | 93.2 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.8 | -38.3 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | F70 Q135 A136 E137 K142 L143 | F70-V139 HydrophobicContact CD1-CB 3.88Å; F70-V139 HydrophobicContact CD1-CG1 3.74Å; F70-V139 HydrophobicContact CD2-CG1 4.32Å; F70-V139 HydrophobicContact CE1-CB 3.41Å; F70-V139 VanDerWaalsContact CE1-CB 3.41Å; F70-V139 HydrophobicContact CE1-CG1 3.29Å; F70-V139 HydrophobicContact CE2-CG1 3.94Å; F70-V139 HydrophobicContact CG-CG1 4.24Å; F70-V139 HydrophobicContact CZ-CB 4.01Å; F70-V139 HydrophobicContact CZ-CG1 3.42Å; F70-V139 VanDerWaalsContact CZ-CG1 3.42Å; Q135-V139 WeakPolarHBondContact O-CG2 3.49Å; Q135-V139 PolarHBondContact O-N 3.48Å; Q135-V139 VanDerWaalsContact O-N 3.16Å; A136-V139 PolarHBondContact O-N 3.18Å; E137-V139 VanDerWaalsContact C-N 3.3Å; E137-V139 PolarHBondContact O-N 3.06Å; V139-K142 PolarHBondContact O-N 3.35Å; V139-L143 PolarHBondContact O-N 3.4Å; V139-L143 VanDerWaalsContact O-N 3.14Å |
| 140 | L | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 175 | -179.7 | 65.7 | 0 | 0 | 0 | 111.9 | A136 E137 K142 L143 V144 L160 I163 Y172 C233 F237 | A136-L140 PolarHBondContact O-N 3.47Å; E137-L140 WeakPolarHBondContact O-CB 2.99Å; E137-L140 PolarHBondContact O-N 3.17Å; E137-L140 VanDerWaalsContact O-N 3.14Å; L140-K142 VanDerWaalsContact C-N 3.31Å; L140-K142 PolarHBondContact O-N 2.99Å; L140-L143 WeakPolarHBondContact O-CA 3.16Å; L140-L143 WeakPolarHBondContact O-CB 3.2Å; L140-L143 PolarHBondContact O-N 3.46Å; L140-V144 WeakPolarHBondContact O-CG2 3.44Å; L140-V144 PolarHBondContact O-N 3.32Å; L140-L160 HydrophobicContact CD1-CD1 3.88Å; L140-I163 HydrophobicContact CD1-CD1 4.15Å; L140-I163 HydrophobicContact CD1-CG2 4.19Å; L140-Y172 HydrophobicContact CD2-CD2 4.23Å; L140-Y172 HydrophobicContact CG-CD2 4.33Å; L140-C233 HydrophobicContact CD1-CB 4.46Å; L140-C233 HydrophobicContact CD2-CB 3.69Å; L140-F237 HydrophobicContact CB-CD1 4.17Å; L140-F237 HydrophobicContact CB-CE1 4.41Å; L140-F237 HydrophobicContact CD2-CB 3.67Å; L140-F237 HydrophobicContact CD2-CD1 4.05Å; L140-F237 HydrophobicContact CD2-CG 3.9Å |
| 141 | E | 96 | Very high | 93.9 | Very high | 78 Ų | 78 | 43.3 Ų | 43.3 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -55.6 | -46.8 | 176.4 | -175.9 | 180 | -153.3 | 0 | 0 | 111.2 | E137 L143 V144 F145 Y172 | E137-E141 WeakPolarHBondContact O-CB 3.06Å; E137-E141 PolarHBondContact O-N 2.93Å; E141-L143 VanDerWaalsContact C-N 3.27Å; E141-L143 PolarHBondContact O-N 3.02Å; E141-V144 PolarHBondContact O-N 3.09Å; E141-V144 VanDerWaalsContact O-N 3.13Å; E141-F145 HydrophobicContact CG-CD2 3.78Å; E141-F145 HydrophobicContact CG-CE2 3.69Å; E141-F145 VanDerWaalsContact O-CD2 3.3Å; E141-F145 WeakPolarHBondContact O-CD2 3.42Å; E141-F145 PolarHBondContact O-N 3.11Å; E141-Y172 HydrophobicContact CB-CD1 4.44Å; E141-Y172 HydrophobicContact CB-CD2 3.94Å; E141-Y172 HydrophobicContact CB-CE1 4.43Å; E141-Y172 HydrophobicContact CB-CE2 3.91Å; E141-Y172 HydrophobicContact CB-CG 4.23Å; E141-Y172 HydrophobicContact CG-CD1 4.23Å; E141-Y172 HydrophobicContact CG-CE1 4.33Å; E141-Y172 HydrophobicContact CG-CG 4.38Å |
| 142 | K | 94.7 | Very high | 94.2 | Very high | 153 Ų | 153 | 41.2 Ų | 41.2 | 67% | 0.665 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.1 | -33.7 | 174.9 | -71.6 | 174.9 | -175.7 | 180 | 0 | 113.1 | G138 V139 L140 S146 | G138-K142 WeakPolarHBondContact O-CG 3.24Å; G138-K142 PolarHBondContact O-N 2.67Å; V139-K142 PolarHBondContact O-N 3.35Å; L140-K142 VanDerWaalsContact C-N 3.31Å; L140-K142 PolarHBondContact O-N 2.99Å; K142-S146 VanDerWaalsContact O-CB 3.27Å; K142-S146 WeakPolarHBondContact O-CB 3.47Å; K142-S146 PolarHBondContact O-N 3.18Å; K142-S146 PolarHBondContact O-OG 2.84Å |
| 143 | L | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.4 | -41.5 | 174.3 | -77.7 | 170.9 | 0 | 0 | 0 | 111.7 | Y66 F70 V139 L140 E141 S146 Y147 L159 L160 I163 | Y66-L143 HydrophobicContact CD1-CD2 3.57Å; Y66-L143 HydrophobicContact CD1-CG 4.15Å; Y66-L143 HydrophobicContact CD2-CD2 4.08Å; Y66-L143 HydrophobicContact CE1-CD2 3.54Å; Y66-L143 HydrophobicContact CE1-CG 4.26Å; Y66-L143 HydrophobicContact CE2-CD2 4.05Å; Y66-L143 HydrophobicContact CG-CD2 3.86Å; F70-L143 HydrophobicContact CE2-CD1 3.68Å; F70-L143 HydrophobicContact CZ-CD1 3.57Å; V139-L143 PolarHBondContact O-N 3.4Å; V139-L143 VanDerWaalsContact O-N 3.14Å; L140-L143 WeakPolarHBondContact O-CA 3.16Å; L140-L143 WeakPolarHBondContact O-CB 3.2Å; L140-L143 PolarHBondContact O-N 3.46Å; E141-L143 VanDerWaalsContact C-N 3.27Å; E141-L143 PolarHBondContact O-N 3.02Å; L143-S146 CarbonylContact O-C 3.45Å; L143-S146 PolarHBondContact O-N 2.94Å; L143-S146 PolarHBondContact O-OG 3.27Å; L143-Y147 PolarHBondContact O-N 3.01Å; L143-Y147 VanDerWaalsContact O-N 3.07Å; L143-L159 HydrophobicContact CD1-CD2 3.79Å; L143-L159 HydrophobicContact CD1-CG 4.1Å; L143-L159 HydrophobicContact CD2-CD2 4.13Å; L143-L160 HydrophobicContact CB-CB 4.42Å; L143-L160 HydrophobicContact CB-CD1 4.31Å; L143-I163 HydrophobicContact CD1-CD1 4.12Å |
| 144 | V | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -52 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | L140 E141 S146 Y147 L160 D177 F178 | L140-V144 WeakPolarHBondContact O-CG2 3.44Å; L140-V144 PolarHBondContact O-N 3.32Å; E141-V144 PolarHBondContact O-N 3.09Å; E141-V144 VanDerWaalsContact O-N 3.13Å; V144-S146 PolarHBondContact O-N 2.9Å; V144-Y147 VanDerWaalsContact O-CB 3.29Å; V144-Y147 WeakPolarHBondContact O-CB 3.35Å; V144-Y147 PolarHBondContact O-N 2.89Å; V144-Y147 VanDerWaalsContact O-N 3.16Å; V144-L160 HydrophobicContact CB-CD2 4.31Å; V144-L160 HydrophobicContact CG2-CD1 3.72Å; V144-L160 HydrophobicContact CG2-CD2 3.93Å; V144-L160 HydrophobicContact CG2-CG 4.49Å; V144-D177 HydrophobicContact CG1-CB 4.03Å; V144-F178 HydrophobicContact CG1-CE1 3.93Å; V144-F178 HydrophobicContact CG1-CZ 4.03Å |
| 145 | F | 95.9 | Very high | 94.8 | Very high | 84 Ų | 84 | 38.1 Ų | 38.1 | 37% | 0.368 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -5.1 | 179.9 | -71.7 | -69.1 | 0 | 0 | 0 | 115.1 | E141 D180 A181 S183 | E141-F145 HydrophobicContact CG-CD2 3.78Å; E141-F145 HydrophobicContact CG-CE2 3.69Å; E141-F145 VanDerWaalsContact O-CD2 3.3Å; E141-F145 WeakPolarHBondContact O-CD2 3.42Å; E141-F145 PolarHBondContact O-N 3.11Å; F145-D180 HydrophobicContact CE1-CB 4.38Å; F145-A181 HydrophobicContact CD1-CB 4.11Å; F145-S183 PolarHBondContact O-OG 3.29Å |
| 146 | S | 95.5 | Very high | 95 | Very high | 34 Ų | 34 | 34 Ų | 34 | 24% | 0.238 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 6.3 | 172.4 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | K142 L143 V144 S156 S183 | K142-S146 VanDerWaalsContact O-CB 3.27Å; K142-S146 WeakPolarHBondContact O-CB 3.47Å; K142-S146 PolarHBondContact O-N 3.18Å; K142-S146 PolarHBondContact O-OG 2.84Å; L143-S146 CarbonylContact O-C 3.45Å; L143-S146 PolarHBondContact O-N 2.94Å; L143-S146 PolarHBondContact O-OG 3.27Å; V144-S146 PolarHBondContact O-N 2.9Å; S146-S156 PolarHBondContact O-OG 3.41Å; S146-S156 VanDerWaalsContact O-OG 3.05Å; S146-S156 WeakPolarHBondContact OG-CB 3.25Å; S146-S183 WeakPolarHBondContact CA-OG 3.34Å |
| 147 | Y | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -71.1 | 134.6 | 172.5 | -176.8 | -84.5 | 0 | 0 | 0 | 109.5 | L143 V144 L150 S157 L160 M164 F178 S183 F184 P201 P203 | L143-Y147 PolarHBondContact O-N 3.01Å; L143-Y147 VanDerWaalsContact O-N 3.07Å; V144-Y147 VanDerWaalsContact O-CB 3.29Å; V144-Y147 WeakPolarHBondContact O-CB 3.35Å; V144-Y147 PolarHBondContact O-N 2.89Å; V144-Y147 VanDerWaalsContact O-N 3.16Å; Y147-L150 PolarHBondContact OH-N 3.07Å; Y147-S157 VanDerWaalsContact CD2-CA 3.49Å; Y147-S157 VanDerWaalsContact CE2-O 3.32Å; Y147-S157 WeakPolarHBondContact CE2-O 3.36Å; Y147-L160 HydrophobicContact CD2-CB 4.12Å; Y147-L160 HydrophobicContact CD2-CD2 3.64Å; Y147-L160 HydrophobicContact CD2-CG 4.31Å; Y147-L160 HydrophobicContact CG-CD2 3.91Å; Y147-M164 HydrophobicContact CE2-CE 4.3Å; Y147-F178 HydrophobicContact CD1-CD1 4.27Å; Y147-F178 HydrophobicContact CD1-CE1 4.03Å; Y147-F178 HydrophobicContact CG-CE1 4.02Å; Y147-S183 CarbonylContact O-C 3.5Å; Y147-S183 WeakPolarHBondContact O-CB 3.27Å; Y147-S183 PolarHBondContact O-OG 2.95Å; Y147-F184 AromaticContact CD1-CD2 3.86Å; Y147-F184 HydrophobicContact CD1-CD2 3.86Å; Y147-F184 HydrophobicContact CD1-CE2 4.36Å; Y147-F184 AromaticContact CE1-CD2 3.97Å; Y147-F184 HydrophobicContact CE1-CD2 3.97Å; Y147-F184 HydrophobicContact CE1-CE2 4.04Å; Y147-F184 PolarHBondContact O-N 2.99Å; Y147-P201 HydrophobicContact CD1-CB 4.46Å; Y147-P201 HydrophobicContact CD1-CG 4Å; Y147-P201 HydrophobicContact CE1-CB 3.69Å; Y147-P201 HydrophobicContact CE1-CG 3.68Å; Y147-P201 HydrophobicContact CE2-CB 4.45Å; Y147-P203 HydrophobicContact CE2-CG 4.45Å | ||
| 148 | E | 96.8 | Very high | 95.3 | Very high | 58 Ų | 58 | 33.7 Ų | 33.7 | 27% | 0.271 | 18% | 0.176 | S | C | . | . | trans | -114.4 | -64.9 | 175.8 | 177.3 | 173.9 | 162.1 | 0 | 0 | 110.9 | K154 S157 S183 S185 | E148-K154 WeakPolarHBondContact OE2-CD 2.93Å; E148-K154 WeakPolarHBondContact OE2-CE 3.27Å; E148-K154 IonicContact OE2-NZ 2.59Å; E148-K154 PolarHBondContact OE2-NZ 3.39Å; E148-S157 PolarHBondContact N-OG 3.39Å; E148-S183 VanDerWaalsContact CA-O 3.22Å; E148-S183 WeakPolarHBondContact CA-O 3.41Å; E148-S183 WeakPolarHBondContact CB-O 3.42Å; E148-S183 WeakPolarHBondContact CG-O 3.35Å; E148-S185 WeakPolarHBondContact O-CB 3.5Å; E148-S185 PolarHBondContact O-N 3.33Å | ||
| 149 | S | 96.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | trans | -168.6 | 162.7 | 178.3 | 68.7 | 0 | 0 | 0 | 0 | 108.8 | S151 S152 S157 D188 | S149-S151 VanDerWaalsContact C-N 3.31Å; S149-S151 PolarHBondContact OG-OG 3.04Å; S149-S151 VanDerWaalsContact OG-OG 3.13Å; S149-S152 PolarHBondContact O-N 3.12Å; S149-S152 PolarHBondContact O-OG 3.44Å; S149-S152 WeakPolarHBondContact OG-CB 3.11Å; S149-S152 PolarHBondContact OG-N 2.96Å; S149-S157 WeakPolarHBondContact O-CB 3.32Å; S149-S157 PolarHBondContact O-OG 2.81Å; S149-D188 WeakPolarHBondContact CB-OD1 3.23Å | ||
| 150 | L | 95.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -66.2 | -37.5 | 172 | -74.2 | 176.4 | 0 | 0 | 0 | 111.3 | F48 V50 Y147 S152 L153 L158 D188 Y190 I202 P203 | F48-L150 HydrophobicContact CD1-CD1 4.13Å; F48-L150 HydrophobicContact CD1-CD2 4.35Å; F48-L150 HydrophobicContact CD2-CD2 4.33Å; F48-L150 HydrophobicContact CE1-CD1 4.44Å; F48-L150 HydrophobicContact CE1-CD2 4.43Å; F48-L150 HydrophobicContact CE2-CD2 4.41Å; F48-L150 HydrophobicContact CG-CD2 4.33Å; F48-L150 HydrophobicContact CZ-CD2 4.47Å; V50-L150 HydrophobicContact CG1-CB 3.89Å; Y147-L150 PolarHBondContact OH-N 3.07Å; L150-S152 VanDerWaalsContact C-N 3.27Å; L150-S152 PolarHBondContact O-N 2.94Å; L150-L153 PolarHBondContact O-N 3.25Å; L150-L158 HydrophobicContact CD2-CD2 4.08Å; L150-D188 PolarHBondContact N-OD1 3.47Å; L150-D188 PolarHBondContact N-OD2 2.89Å; L150-Y190 HydrophobicContact CD1-CD2 3.52Å; L150-Y190 HydrophobicContact CD1-CE2 3.54Å; L150-I202 HydrophobicContact CD1-CB 4.37Å; L150-I202 HydrophobicContact CD1-CG2 4.35Å; L150-P203 HydrophobicContact CD1-CG 3.85Å; L150-P203 HydrophobicContact CD2-CG 4.02Å; L150-P203 HydrophobicContact CG-CG 3.93Å |
| 151 | S | 95 | Very high | 95.5 | Very high | 39 Ų | 39 | 31.7 Ų | 31.7 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18 | 178 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | S149 L153 D188 | S149-S151 VanDerWaalsContact C-N 3.31Å; S149-S151 PolarHBondContact OG-OG 3.04Å; S149-S151 VanDerWaalsContact OG-OG 3.13Å; S151-L153 PolarHBondContact O-N 3.48Å; S151-D188 WeakPolarHBondContact CB-OD1 3.36Å; S151-D188 PolarHBondContact N-OD1 3.4Å; S151-D188 PolarHBondContact OG-OD1 3.32Å |
| 152 | S | 94.1 | Very high | 95.5 | Very high | 32 Ų | 32 | 31 Ų | 31 | 22% | 0.224 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.1 | 171.6 | 70.7 | 0 | 0 | 0 | 0 | 112.9 | S149 L150 K154 S157 | S149-S152 PolarHBondContact O-N 3.12Å; S149-S152 PolarHBondContact O-OG 3.44Å; S149-S152 WeakPolarHBondContact OG-CB 3.11Å; S149-S152 PolarHBondContact OG-N 2.96Å; L150-S152 VanDerWaalsContact C-N 3.27Å; L150-S152 PolarHBondContact O-N 2.94Å; S152-K154 PolarHBondContact O-N 3.13Å; S152-K154 PolarHBondContact OG-N 3.42Å; S152-S157 PolarHBondContact OG-OG 3.47Å |
| 153 | L | 93.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 23.7 Ų | 23.7 | 29% | 0.288 | 12% | 0.122 | S | C | . | . | trans | 55.1 | 16.9 | -175.5 | -50.3 | 179.2 | 0 | 0 | 0 | 113.9 | V50 L52 L150 S151 | V50-L153 HydrophobicContact CB-CD2 4.15Å; V50-L153 HydrophobicContact CG2-CD2 3.84Å; L52-L153 HydrophobicContact CB-CD2 4.47Å; L52-L153 HydrophobicContact CD1-CB 4.45Å; L52-L153 HydrophobicContact CD1-CD2 3.92Å; L150-L153 PolarHBondContact O-N 3.25Å; S151-L153 PolarHBondContact O-N 3.48Å | ||
| 154 | K | 94.4 | Very high | 95.6 | Very high | 95 Ų | 95 | 23.7 Ų | 23.7 | 41% | 0.413 | 12% | 0.122 | S | C | . | . | trans | -68.6 | 140.1 | 177.5 | -75.2 | -176.8 | 175 | 174.8 | 0 | 110.1 | E148 S152 S156 S157 L158 | E148-K154 WeakPolarHBondContact OE2-CD 2.93Å; E148-K154 WeakPolarHBondContact OE2-CE 3.27Å; E148-K154 IonicContact OE2-NZ 2.59Å; E148-K154 PolarHBondContact OE2-NZ 3.39Å; S152-K154 PolarHBondContact O-N 3.13Å; S152-K154 PolarHBondContact OG-N 3.42Å; K154-S156 PolarHBondContact O-N 3Å; K154-S157 PolarHBondContact O-N 3.5Å; K154-L158 WeakPolarHBondContact O-CG 3.46Å; K154-L158 PolarHBondContact O-N 3.32Å | ||
| 155 | P | 93.5 | Very high | 95.6 | Very high | 19 Ų | 19 | 24.5 Ų | 24.5 | 12% | 0.123 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.9 | -36.6 | 177.4 | -19.8 | 26 | 0 | 0 | 0 | 113.5 | L63 Y66 L159 | L63-P155 HydrophobicContact CD2-CB 4.14Å; L63-P155 HydrophobicContact CG-CB 4.4Å; Y66-P155 HydrophobicContact CD2-CB 4.43Å; Y66-P155 HydrophobicContact CE2-CB 4.25Å; P155-L159 WeakPolarHBondContact O-CB 3.35Å; P155-L159 PolarHBondContact O-N 3.1Å |
| 156 | S | 94.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 24 Ų | 24 | 6% | 0.056 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.3 | -51 | 175.9 | 46.8 | 0 | 0 | 0 | 0 | 111.4 | S146 K154 L158 L159 L160 | S146-S156 PolarHBondContact O-OG 3.41Å; S146-S156 VanDerWaalsContact O-OG 3.05Å; S146-S156 WeakPolarHBondContact OG-CB 3.25Å; K154-S156 PolarHBondContact O-N 3Å; S156-L158 VanDerWaalsContact C-N 3.34Å; S156-L158 PolarHBondContact O-N 2.78Å; S156-L159 PolarHBondContact O-N 2.94Å; S156-L160 WeakPolarHBondContact O-CB 3.37Å; S156-L160 PolarHBondContact O-N 3.17Å |
| 157 | S | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | -179 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | Y147 E148 S149 S152 K154 G161 | Y147-S157 VanDerWaalsContact CD2-CA 3.49Å; Y147-S157 VanDerWaalsContact CE2-O 3.32Å; Y147-S157 WeakPolarHBondContact CE2-O 3.36Å; E148-S157 PolarHBondContact N-OG 3.39Å; S149-S157 WeakPolarHBondContact O-CB 3.32Å; S149-S157 PolarHBondContact O-OG 2.81Å; S152-S157 PolarHBondContact OG-OG 3.47Å; K154-S157 PolarHBondContact O-N 3.5Å; S157-G161 PolarHBondContact O-N 3.37Å |
| 158 | L | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.6 | -41.9 | -179.5 | -68.9 | 171.3 | 0 | 0 | 0 | 112.6 | V45 F48 V50 L52 L59 L150 K154 S156 G161 W162 | V45-L158 HydrophobicContact CG1-CB 3.66Å; V45-L158 HydrophobicContact CG1-CD1 3.83Å; V45-L158 HydrophobicContact CG1-CD2 3.92Å; V45-L158 HydrophobicContact CG1-CG 4Å; V45-L158 HydrophobicContact CG2-CB 4.44Å; F48-L158 HydrophobicContact CD2-CD2 4.27Å; V50-L158 HydrophobicContact CG2-CD2 4.39Å; L52-L158 HydrophobicContact CD1-CD1 3.65Å; L59-L158 HydrophobicContact CD1-CD1 3.44Å; L59-L158 VanDerWaalsContact CD1-CD1 3.44Å; L150-L158 HydrophobicContact CD2-CD2 4.08Å; K154-L158 WeakPolarHBondContact O-CG 3.46Å; K154-L158 PolarHBondContact O-N 3.32Å; S156-L158 VanDerWaalsContact C-N 3.34Å; S156-L158 PolarHBondContact O-N 2.78Å; L158-G161 PolarHBondContact O-N 2.84Å; L158-W162 WeakPolarHBondContact O-CB 3.05Å; L158-W162 PolarHBondContact O-N 3.41Å |
| 159 | L | 95.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.9 | -46.5 | 176.6 | 171.2 | 59.3 | 0 | 0 | 0 | 111.2 | L41 L63 Y66 F70 L143 P155 S156 G161 W162 I163 | L41-L159 HydrophobicContact CD1-CD1 4.22Å; L41-L159 HydrophobicContact CD2-CD1 3.5Å; L41-L159 HydrophobicContact CD2-CG 4.43Å; L63-L159 HydrophobicContact CD2-CB 4.04Å; Y66-L159 HydrophobicContact CD2-CD2 4.19Å; Y66-L159 HydrophobicContact CG-CD2 3.87Å; F70-L159 HydrophobicContact CE2-CD2 4.2Å; L143-L159 HydrophobicContact CD1-CD2 3.79Å; L143-L159 HydrophobicContact CD1-CG 4.1Å; L143-L159 HydrophobicContact CD2-CD2 4.13Å; P155-L159 WeakPolarHBondContact O-CB 3.35Å; P155-L159 PolarHBondContact O-N 3.1Å; S156-L159 PolarHBondContact O-N 2.94Å; L159-G161 VanDerWaalsContact C-N 3.32Å; L159-G161 PolarHBondContact O-N 3.43Å; L159-W162 HydrophobicContact CD1-CE3 4.21Å; L159-W162 WeakPolarHBondContact O-CB 3.4Å; L159-W162 PolarHBondContact O-N 2.99Å; L159-I163 HydrophobicContact CD1-CD1 4.04Å; L159-I163 HydrophobicContact CD1-CG1 4.19Å; L159-I163 HydrophobicContact CG-CD1 4.09Å; L159-I163 WeakPolarHBondContact O-CG1 3.42Å; L159-I163 PolarHBondContact O-N 3.16Å |
| 160 | L | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.7 | -177.2 | 68.9 | 0 | 0 | 0 | 111.1 | L140 L143 V144 Y147 S156 W162 I163 M164 F178 | L140-L160 HydrophobicContact CD1-CD1 3.88Å; L143-L160 HydrophobicContact CB-CB 4.42Å; L143-L160 HydrophobicContact CB-CD1 4.31Å; V144-L160 HydrophobicContact CB-CD2 4.31Å; V144-L160 HydrophobicContact CG2-CD1 3.72Å; V144-L160 HydrophobicContact CG2-CD2 3.93Å; V144-L160 HydrophobicContact CG2-CG 4.49Å; Y147-L160 HydrophobicContact CD2-CB 4.12Å; Y147-L160 HydrophobicContact CD2-CD2 3.64Å; Y147-L160 HydrophobicContact CD2-CG 4.31Å; Y147-L160 HydrophobicContact CG-CD2 3.91Å; S156-L160 WeakPolarHBondContact O-CB 3.37Å; S156-L160 PolarHBondContact O-N 3.17Å; L160-W162 VanDerWaalsContact C-N 3.27Å; L160-W162 PolarHBondContact O-N 2.96Å; L160-I163 WeakPolarHBondContact O-CB 3.4Å; L160-I163 PolarHBondContact O-N 3.1Å; L160-I163 VanDerWaalsContact O-N 3.12Å; L160-M164 HydrophobicContact CD1-CG 4.39Å; L160-M164 HydrophobicContact CD2-CE 4.17Å; L160-M164 HydrophobicContact CD2-SD 4.4Å; L160-M164 HydrophobicContact CG-CE 3.95Å; L160-M164 HydrophobicContact CG-CG 4.29Å; L160-M164 HydrophobicContact CG-SD 4.18Å; L160-M164 WeakPolarHBondContact O-CG 3.48Å; L160-M164 PolarHBondContact O-N 3.45Å; L160-F178 HydrophobicContact CD2-CE1 4.05Å; L160-F178 HydrophobicContact CD2-CZ 4.03Å |
| 161 | G | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.1 | -43.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | F48 S157 L158 L159 M164 V165 | F48-G161 VanDerWaalsContact CZ-C 3.46Å; S157-G161 PolarHBondContact O-N 3.37Å; L158-G161 PolarHBondContact O-N 2.84Å; L159-G161 VanDerWaalsContact C-N 3.32Å; L159-G161 PolarHBondContact O-N 3.43Å; G161-M164 PolarHBondContact O-N 2.83Å; G161-V165 VanDerWaalsContact O-CG2 3.28Å; G161-V165 WeakPolarHBondContact O-CG2 3.48Å; G161-V165 PolarHBondContact O-N 2.54Å; G161-V165 VanDerWaalsContact O-N 3.12Å |
| 162 | W | 95.4 | Very high | 95.4 | Very high | 62 Ų | 62 | 26.6 Ų | 26.6 | 24% | 0.235 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 175.6 | 177.7 | 83 | 0 | 0 | 0 | 112.1 | L41 E44 V45 F48 L158 L159 L160 N166 | L41-W162 HydrophobicContact CD1-CB 4.31Å; L41-W162 HydrophobicContact CD1-CD2 3.44Å; L41-W162 VanDerWaalsContact CD1-CD2 3.44Å; L41-W162 HydrophobicContact CD1-CE3 3.65Å; L41-W162 HydrophobicContact CD1-CG 3.73Å; L41-W162 HydrophobicContact CD1-CZ2 4.38Å; L41-W162 HydrophobicContact CD1-CZ3 4.21Å; E44-W162 VanDerWaalsContact CB-NE1 3.27Å; V45-W162 HydrophobicContact CG2-CB 4.3Å; F48-W162 HydrophobicContact CE2-CB 4.12Å; F48-W162 HydrophobicContact CZ-CB 4.31Å; L158-W162 WeakPolarHBondContact O-CB 3.05Å; L158-W162 PolarHBondContact O-N 3.41Å; L159-W162 HydrophobicContact CD1-CE3 4.21Å; L159-W162 WeakPolarHBondContact O-CB 3.4Å; L159-W162 PolarHBondContact O-N 2.99Å; L160-W162 VanDerWaalsContact C-N 3.27Å; L160-W162 PolarHBondContact O-N 2.96Å; W162-N166 PolarHBondContact NE1-ND2 3.16Å; W162-N166 WeakPolarHBondContact O-CB 3.28Å; W162-N166 PolarHBondContact O-N 3.16Å; W162-N166 PolarHBondContact O-ND2 3.39Å |
| 163 | I | 96 | Very high | 95.5 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.3 | -51.3 | 175.9 | -68.5 | 169.8 | 0 | 0 | 0 | 110.4 | F70 L140 L143 L159 L160 V165 N166 L167 F237 | F70-I163 HydrophobicContact CE2-CD1 4.49Å; L140-I163 HydrophobicContact CD1-CD1 4.15Å; L140-I163 HydrophobicContact CD1-CG2 4.19Å; L143-I163 HydrophobicContact CD1-CD1 4.12Å; L159-I163 HydrophobicContact CD1-CD1 4.04Å; L159-I163 HydrophobicContact CD1-CG1 4.19Å; L159-I163 HydrophobicContact CG-CD1 4.09Å; L159-I163 WeakPolarHBondContact O-CG1 3.42Å; L159-I163 PolarHBondContact O-N 3.16Å; L160-I163 WeakPolarHBondContact O-CB 3.4Å; L160-I163 PolarHBondContact O-N 3.1Å; L160-I163 VanDerWaalsContact O-N 3.12Å; I163-V165 VanDerWaalsContact C-N 3.34Å; I163-V165 PolarHBondContact O-N 3.39Å; I163-N166 PolarHBondContact O-N 3.38Å; I163-L167 HydrophobicContact CG2-CD1 3.86Å; I163-L167 HydrophobicContact CG2-CG 4.26Å; I163-L167 VanDerWaalsContact O-CB 3.24Å; I163-L167 WeakPolarHBondContact O-CB 3.4Å; I163-L167 WeakPolarHBondContact O-CG 3.34Å; I163-L167 PolarHBondContact O-N 3.43Å; I163-F237 HydrophobicContact CD1-CE2 4.06Å; I163-F237 HydrophobicContact CG2-CD2 4.09Å |
| 164 | M | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.4 | -44.9 | -177.4 | -73.3 | -171.6 | -59.4 | 0 | 0 | 112 | Y147 L160 G161 K168 C169 F178 P201 P203 C204 | Y147-M164 HydrophobicContact CE2-CE 4.3Å; L160-M164 HydrophobicContact CD1-CG 4.39Å; L160-M164 HydrophobicContact CD2-CE 4.17Å; L160-M164 HydrophobicContact CD2-SD 4.4Å; L160-M164 HydrophobicContact CG-CE 3.95Å; L160-M164 HydrophobicContact CG-CG 4.29Å; L160-M164 HydrophobicContact CG-SD 4.18Å; L160-M164 WeakPolarHBondContact O-CG 3.48Å; L160-M164 PolarHBondContact O-N 3.45Å; G161-M164 PolarHBondContact O-N 2.83Å; M164-K168 VanDerWaalsContact O-CA 3.31Å; M164-K168 WeakPolarHBondContact O-CA 3.5Å; M164-K168 PolarHBondContact O-N 3.3Å; M164-C169 CarbonylContact C-O 3.46Å; M164-C169 VanDerWaalsContact CA-O 3.26Å; M164-C169 WeakPolarHBondContact CA-O 3.33Å; M164-C169 WeakPolarHBondContact CB-O 3.33Å; M164-C169 WeakPolarHBondContact CG-O 3.27Å; M164-C169 PolarHBondContact O-N 3.34Å; M164-F178 HydrophobicContact CE-CZ 4.43Å; M164-F178 HydrophobicContact SD-CE2 4.33Å; M164-F178 HydrophobicContact SD-CZ 3.98Å; M164-P201 HydrophobicContact CE-CB 3.95Å; M164-P201 HydrophobicContact CE-CG 4.25Å; M164-P203 HydrophobicContact CB-CB 4.26Å; M164-P203 HydrophobicContact CE-CB 3.8Å; M164-P203 HydrophobicContact CE-CG 3.69Å; M164-C204 VanDerWaalsContact SD-SG 3.65Å |
| 165 | V | 95.3 | Very high | 95.3 | Very high | 17 Ų | 17 | 25.3 Ų | 25.3 | 10% | 0.103 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.5 | -47.4 | 179.1 | 172.8 | 0 | 0 | 0 | 0 | 112 | F48 G161 I163 P203 L207 Y211 | F48-V165 HydrophobicContact CE1-CG2 4.19Å; F48-V165 HydrophobicContact CZ-CG2 4.46Å; G161-V165 VanDerWaalsContact O-CG2 3.28Å; G161-V165 WeakPolarHBondContact O-CG2 3.48Å; G161-V165 PolarHBondContact O-N 2.54Å; G161-V165 VanDerWaalsContact O-N 3.12Å; I163-V165 VanDerWaalsContact C-N 3.34Å; I163-V165 PolarHBondContact O-N 3.39Å; V165-P203 HydrophobicContact CG2-CB 3.78Å; V165-L207 HydrophobicContact CB-CD1 4.4Å; V165-L207 HydrophobicContact CG1-CB 4.36Å; V165-L207 HydrophobicContact CG1-CD1 4Å; V165-L207 HydrophobicContact CG2-CD1 3.46Å; V165-L207 VanDerWaalsContact CG2-CD1 3.46Å; V165-L207 HydrophobicContact CG2-CG 4.2Å; V165-Y211 HydrophobicContact CG1-CE1 4.33Å |
| 166 | N | 94.3 | Very high | 95.3 | Very high | 74 Ų | 74 | 30.2 Ų | 30.2 | 40% | 0.396 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -76.5 | -28.9 | -174.3 | -76.1 | -91.4 | 0 | 0 | 0 | 112.7 | W162 I163 | W162-N166 PolarHBondContact NE1-ND2 3.16Å; W162-N166 WeakPolarHBondContact O-CB 3.28Å; W162-N166 PolarHBondContact O-N 3.16Å; W162-N166 PolarHBondContact O-ND2 3.39Å; I163-N166 PolarHBondContact O-N 3.38Å |
| 167 | L | 95.4 | Very high | 95.2 | Very high | 41 Ų | 41 | 30.6 Ų | 30.6 | 22% | 0.215 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -96.6 | -0.9 | 177.9 | -57.4 | -164.9 | 0 | 0 | 0 | 113.2 | I163 C169 V236 F237 I240 | I163-L167 HydrophobicContact CG2-CD1 3.86Å; I163-L167 HydrophobicContact CG2-CG 4.26Å; I163-L167 VanDerWaalsContact O-CB 3.24Å; I163-L167 WeakPolarHBondContact O-CB 3.4Å; I163-L167 WeakPolarHBondContact O-CG 3.34Å; I163-L167 PolarHBondContact O-N 3.43Å; L167-C169 VanDerWaalsContact C-N 3.3Å; L167-C169 PolarHBondContact O-N 2.84Å; L167-V236 HydrophobicContact CB-CG1 4.09Å; L167-V236 HydrophobicContact CD1-CG1 4.37Å; L167-F237 HydrophobicContact CD1-CB 4.05Å; L167-F237 HydrophobicContact CD1-CD2 3.8Å; L167-F237 HydrophobicContact CD1-CG 4.44Å; L167-I240 HydrophobicContact CD1-CD1 3.97Å; L167-I240 HydrophobicContact CD2-CD1 3.27Å; L167-I240 HydrophobicContact CG-CD1 4.24Å |
| 168 | K | 94.8 | Very high | 95.1 | Very high | 132 Ų | 132 | 30.6 Ų | 30.6 | 57% | 0.574 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 48.5 | 179.7 | -57.6 | -173.8 | 177.7 | -168.6 | 0 | 112.3 | M164 Y229 | M164-K168 VanDerWaalsContact O-CA 3.31Å; M164-K168 WeakPolarHBondContact O-CA 3.5Å; M164-K168 PolarHBondContact O-N 3.3Å; K168-Y229 HydrophobicContact CB-CD1 3.88Å; K168-Y229 HydrophobicContact CB-CE1 3.6Å; K168-Y229 HydrophobicContact CB-CG 4.5Å; K168-Y229 HydrophobicContact CD-CE1 4.38Å; K168-Y229 HydrophobicContact CG-CE1 3.9Å |
| 169 | C | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -136.3 | 165 | -176.2 | 63.5 | 0 | 0 | 0 | 0 | 110.1 | M164 L167 V231 C233 | M164-C169 CarbonylContact C-O 3.46Å; M164-C169 VanDerWaalsContact CA-O 3.26Å; M164-C169 WeakPolarHBondContact CA-O 3.33Å; M164-C169 WeakPolarHBondContact CB-O 3.33Å; M164-C169 WeakPolarHBondContact CG-O 3.27Å; M164-C169 PolarHBondContact O-N 3.34Å; L167-C169 VanDerWaalsContact C-N 3.3Å; L167-C169 PolarHBondContact O-N 2.84Å; C169-V231 CarbonylContact C-O 3.41Å; C169-V231 WeakPolarHBondContact CA-O 3.39Å; C169-V231 VanDerWaalsContact CB-O 3.25Å; C169-V231 WeakPolarHBondContact CB-O 3.22Å; C169-C233 HydrophobicContact CB-CB 3.89Å; C169-C233 WeakPolarHBondContact CB-SG 3.08Å; C169-C233 WeakPolarHBondContact SG-CA 3.3Å; C169-C233 WeakPolarHBondContact SG-CB 3.46Å; C169-C233 CovalentContact SG-SG 2.03Å; C169-C233 PolarHBondContact SG-SG 3.35Å | ||
| 170 | C | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -141.9 | 130.8 | 179.7 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | D174 P175 C204 Y229 V231 G232 | C170-D174 CarbonylContact O-C 3.36Å; C170-P175 HydrophobicContact CB-CB 4.49Å; C170-P175 HydrophobicContact CB-CG 3.98Å; C170-P175 VanDerWaalsContact SG-CB 3.56Å; C170-C204 HydrophobicContact CB-CB 3.6Å; C170-C204 WeakPolarHBondContact CB-SG 3.5Å; C170-C204 WeakPolarHBondContact SG-CB 3.22Å; C170-C204 CovalentContact SG-SG 2.02Å; C170-C204 PolarHBondContact SG-SG 3.01Å; C170-Y229 WeakPolarHBondContact CB-O 3.47Å; C170-V231 PolarHBondContact N-O 2.85Å; C170-G232 WeakPolarHBondContact O-CA 3.45Å | ||
| 171 | G | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 71.3 | -171.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C233 | G171-C233 WeakPolarHBondContact O-CB 3.3Å; G171-C233 PolarHBondContact O-N 3.44Å; G171-C233 PolarHBondContact O-SG 3.49Å; G171-C233 VanDerWaalsContact O-SG 3.36Å |
| 172 | Y | 97.2 | Very high | 93.7 | Very high | 18 Ų | 18 | 52 Ų | 52 | 7% | 0.071 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -84 | -62.3 | 174.9 | 179.9 | -118.8 | 0 | 0 | 0 | 110 | E137 L140 E141 D177 G232 C233 R234 | E137-Y172 HydrophobicContact CB-CE2 4.06Å; E137-Y172 WeakPolarHBondContact O-CE2 3.47Å; L140-Y172 HydrophobicContact CD2-CD2 4.23Å; L140-Y172 HydrophobicContact CG-CD2 4.33Å; E141-Y172 HydrophobicContact CB-CD1 4.44Å; E141-Y172 HydrophobicContact CB-CD2 3.94Å; E141-Y172 HydrophobicContact CB-CE1 4.43Å; E141-Y172 HydrophobicContact CB-CE2 3.91Å; E141-Y172 HydrophobicContact CB-CG 4.23Å; E141-Y172 HydrophobicContact CG-CD1 4.23Å; E141-Y172 HydrophobicContact CG-CE1 4.33Å; E141-Y172 HydrophobicContact CG-CG 4.38Å; Y172-D177 VanDerWaalsContact CA-OD2 3.3Å; Y172-D177 WeakPolarHBondContact CA-OD2 3.18Å; Y172-D177 WeakPolarHBondContact CB-OD2 3.37Å; Y172-D177 PolarHBondContact N-OD2 3.25Å; Y172-G232 CarbonylContact O-C 3.58Å; Y172-G232 WeakPolarHBondContact O-CA 3.38Å; Y172-C233 PolarHBondContact O-N 3.14Å; Y172-R234 HydrophobicContact CD2-CB 3.88Å; Y172-R234 HydrophobicContact CD2-CG 4.29Å; Y172-R234 HydrophobicContact CE1-CG 4.46Å; Y172-R234 HydrophobicContact CE2-CB 3.73Å; Y172-R234 HydrophobicContact CE2-CG 3.61Å; Y172-R234 HydrophobicContact CG-CB 4.43Å; Y172-R234 WeakPolarHBondContact O-CB 3.41Å; Y172-R234 PolarHBondContact O-N 2.83Å; Y172-R234 WeakPolarHBondContact OH-CD 3.48Å; Y172-R234 PolarHBondContact OH-NE 3.43Å |
| 173 | I | 96.3 | Very high | 93.6 | Very high | 100 Ų | 100 | 50.9 Ų | 50.9 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -90.7 | -45.5 | 174.5 | -61.7 | 171 | 0 | 0 | 0 | 110.2 | D177 G232 | I173-D177 PolarHBondContact N-OD2 3.17Å; I173-G232 VanDerWaalsContact C-CA 3.45Å; I173-G232 WeakPolarHBondContact O-CA 3.25Å; I173-G232 PolarHBondContact O-N 3.16Å |
| 174 | D | 92.9 | Very high | 93.6 | Very high | 50 Ų | 50 | 52.4 Ų | 52.4 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -166.9 | 176.9 | -176.2 | 64.9 | 50.3 | 0 | 0 | 0 | 111.4 | C170 Y176 D177 | C170-D174 CarbonylContact O-C 3.36Å; D174-Y176 PolarHBondContact O-N 3.33Å; D174-Y176 VanDerWaalsContact O-N 3.14Å; D174-Y176 WeakPolarHBondContact OD1-CA 3.04Å; D174-Y176 WeakPolarHBondContact OD1-CB 3.36Å; D174-Y176 VanDerWaalsContact OD1-CD2 3.32Å; D174-Y176 WeakPolarHBondContact OD1-CD2 3.31Å; D174-Y176 PolarHBondContact OD1-N 2.95Å; D174-D177 PolarHBondContact N-OD2 3.2Å; D174-D177 VanDerWaalsContact N-OD2 3.1Å; D174-D177 VanDerWaalsContact O-CG 3.29Å; D174-D177 PolarHBondContact O-N 3.05Å |
| 175 | P | 91.2 | Very high | 93.5 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.032 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18 | -179.6 | -23.4 | 33.2 | 0 | 0 | 0 | 115.8 | C170 D177 F178 T200 | C170-P175 HydrophobicContact CB-CB 4.49Å; C170-P175 HydrophobicContact CB-CG 3.98Å; C170-P175 VanDerWaalsContact SG-CB 3.56Å; P175-D177 VanDerWaalsContact C-N 3.29Å; P175-D177 PolarHBondContact O-N 2.71Å; P175-F178 WeakPolarHBondContact O-CD2 3.41Å; P175-T200 HydrophobicContact CB-CG2 3.65Å |
| 176 | Y | 91.7 | Very high | 93.4 | Very high | 121 Ų | 121 | 56.5 Ų | 56.5 | 48% | 0.475 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -13.3 | -177.8 | -58.2 | -74.2 | 0 | 0 | 0 | 113 | D174 F178 L179 S223 | D174-Y176 PolarHBondContact O-N 3.33Å; D174-Y176 VanDerWaalsContact O-N 3.14Å; D174-Y176 WeakPolarHBondContact OD1-CA 3.04Å; D174-Y176 WeakPolarHBondContact OD1-CB 3.36Å; D174-Y176 VanDerWaalsContact OD1-CD2 3.32Å; D174-Y176 WeakPolarHBondContact OD1-CD2 3.31Å; D174-Y176 PolarHBondContact OD1-N 2.95Å; Y176-F178 PolarHBondContact O-N 3.28Å; Y176-L179 HydrophobicContact CD1-CD1 3.88Å; Y176-L179 VanDerWaalsContact O-CB 3.32Å; Y176-L179 WeakPolarHBondContact O-CB 3.41Å; Y176-L179 PolarHBondContact O-N 3.31Å; Y176-S223 PolarHBondContact OH-OG 3.41Å |
| 177 | D | 93.5 | Very high | 93.4 | Very high | 16 Ų | 16 | 55.8 Ų | 55.8 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.8 | -27.1 | 175.2 | -66.7 | -40.7 | 0 | 0 | 0 | 113 | V144 Y172 I173 D174 P175 L179 D180 A181 | V144-D177 HydrophobicContact CG1-CB 4.03Å; Y172-D177 VanDerWaalsContact CA-OD2 3.3Å; Y172-D177 WeakPolarHBondContact CA-OD2 3.18Å; Y172-D177 WeakPolarHBondContact CB-OD2 3.37Å; Y172-D177 PolarHBondContact N-OD2 3.25Å; I173-D177 PolarHBondContact N-OD2 3.17Å; D174-D177 PolarHBondContact N-OD2 3.2Å; D174-D177 VanDerWaalsContact N-OD2 3.1Å; D174-D177 VanDerWaalsContact O-CG 3.29Å; D174-D177 PolarHBondContact O-N 3.05Å; P175-D177 VanDerWaalsContact C-N 3.29Å; P175-D177 PolarHBondContact O-N 2.71Å; D177-L179 VanDerWaalsContact C-N 3.33Å; D177-D180 PolarHBondContact O-N 3.14Å; D177-A181 PolarHBondContact O-N 3Å |
| 178 | F | 93.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -77 | -16.3 | 179.4 | -62.3 | -75.3 | 0 | 0 | 0 | 113.9 | V144 Y147 L160 M164 P175 Y176 D180 A181 F184 P201 | V144-F178 HydrophobicContact CG1-CE1 3.93Å; V144-F178 HydrophobicContact CG1-CZ 4.03Å; Y147-F178 HydrophobicContact CD1-CD1 4.27Å; Y147-F178 HydrophobicContact CD1-CE1 4.03Å; Y147-F178 HydrophobicContact CG-CE1 4.02Å; L160-F178 HydrophobicContact CD2-CE1 4.05Å; L160-F178 HydrophobicContact CD2-CZ 4.03Å; M164-F178 HydrophobicContact CE-CZ 4.43Å; M164-F178 HydrophobicContact SD-CE2 4.33Å; M164-F178 HydrophobicContact SD-CZ 3.98Å; P175-F178 WeakPolarHBondContact O-CD2 3.41Å; Y176-F178 PolarHBondContact O-N 3.28Å; F178-D180 VanDerWaalsContact C-N 3.28Å; F178-A181 PolarHBondContact O-N 3.05Å; F178-F184 HydrophobicContact CB-CD1 4.03Å; F178-F184 HydrophobicContact CB-CD2 4.35Å; F178-F184 HydrophobicContact CB-CE1 4.31Å; F178-F184 HydrophobicContact CB-CG 4.05Å; F178-F184 HydrophobicContact CD1-CD2 4.27Å; F178-F184 WeakPolarHBondContact O-CD1 3.39Å; F178-P201 HydrophobicContact CD1-CG 3.67Å; F178-P201 HydrophobicContact CD2-CG 3.61Å; F178-P201 HydrophobicContact CE1-CG 3.53Å; F178-P201 VanDerWaalsContact CE2-CD 3.4Å; F178-P201 HydrophobicContact CE2-CG 3.45Å; F178-P201 VanDerWaalsContact CE2-CG 3.45Å; F178-P201 HydrophobicContact CG-CG 3.72Å; F178-P201 HydrophobicContact CZ-CG 3.43Å; F178-P201 VanDerWaalsContact CZ-CG 3.43Å |
| 179 | L | 90 | Very high | 93.4 | Very high | 104 Ų | 104 | 51.3 Ų | 51.3 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.7 | -31.5 | 172.1 | -62.1 | 179 | 0 | 0 | 0 | 111.5 | Y176 D177 T199 | Y176-L179 HydrophobicContact CD1-CD1 3.88Å; Y176-L179 VanDerWaalsContact O-CB 3.32Å; Y176-L179 WeakPolarHBondContact O-CB 3.41Å; Y176-L179 PolarHBondContact O-N 3.31Å; D177-L179 VanDerWaalsContact C-N 3.33Å; L179-T199 HydrophobicContact CD2-CG2 4.15Å |
| 180 | D | 87.2 | Confident | 93.4 | Very high | 129 Ų | 129 | 51.3 Ų | 51.3 | 69% | 0.69 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -89.3 | -13.9 | 177.5 | -65.2 | -38.4 | 0 | 0 | 0 | 112.6 | F145 D177 F178 K182 | F145-D180 HydrophobicContact CE1-CB 4.38Å; D177-D180 PolarHBondContact O-N 3.14Å; F178-D180 VanDerWaalsContact C-N 3.28Å; D180-K182 PolarHBondContact O-N 2.92Å |
| 181 | A | 88.6 | Confident | 93.2 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | trans | -76.7 | 105 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F145 D177 F178 S183 F184 | F145-A181 HydrophobicContact CD1-CB 4.11Å; D177-A181 PolarHBondContact O-N 3Å; F178-A181 PolarHBondContact O-N 3.05Å; A181-S183 PolarHBondContact O-N 3.19Å; A181-S183 VanDerWaalsContact O-N 3.08Å; A181-F184 HydrophobicContact CB-CB 4.09Å; A181-F184 WeakPolarHBondContact O-CB 3.33Å; A181-F184 PolarHBondContact O-N 3.26Å | ||
| 182 | K | 89.7 | Confident | 93 | Very high | 215 Ų | 215 | 58.8 Ų | 58.8 | 94% | 0.935 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.8 | -179.9 | -65.1 | -176.6 | -179.7 | 179.7 | 0 | 115 | D180 | D180-K182 PolarHBondContact O-N 2.92Š|
| 183 | S | 93.6 | Very high | 92.8 | Very high | 38 Ų | 38 | 62.6 Ų | 62.6 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -14.2 | 179.6 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | F145 S146 Y147 E148 A181 S185 | F145-S183 PolarHBondContact O-OG 3.29Å; S146-S183 WeakPolarHBondContact CA-OG 3.34Å; Y147-S183 CarbonylContact O-C 3.5Å; Y147-S183 WeakPolarHBondContact O-CB 3.27Å; Y147-S183 PolarHBondContact O-OG 2.95Å; E148-S183 VanDerWaalsContact CA-O 3.22Å; E148-S183 WeakPolarHBondContact CA-O 3.41Å; E148-S183 WeakPolarHBondContact CB-O 3.42Å; E148-S183 WeakPolarHBondContact CG-O 3.35Å; A181-S183 PolarHBondContact O-N 3.19Å; A181-S183 VanDerWaalsContact O-N 3.08Å; S183-S185 PolarHBondContact O-N 3.36Å |
| 184 | F | 95.8 | Very high | 92.7 | Very high | 33 Ų | 33 | 61.4 Ų | 61.4 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | trans | -66.8 | 128.1 | -174 | 177.8 | -119.5 | 0 | 0 | 0 | 111 | Y147 F178 A181 L198 P201 | Y147-F184 AromaticContact CD1-CD2 3.86Å; Y147-F184 HydrophobicContact CD1-CD2 3.86Å; Y147-F184 HydrophobicContact CD1-CE2 4.36Å; Y147-F184 AromaticContact CE1-CD2 3.97Å; Y147-F184 HydrophobicContact CE1-CD2 3.97Å; Y147-F184 HydrophobicContact CE1-CE2 4.04Å; Y147-F184 PolarHBondContact O-N 2.99Å; F178-F184 HydrophobicContact CB-CD1 4.03Å; F178-F184 HydrophobicContact CB-CD2 4.35Å; F178-F184 HydrophobicContact CB-CE1 4.31Å; F178-F184 HydrophobicContact CB-CG 4.05Å; F178-F184 HydrophobicContact CD1-CD2 4.27Å; F178-F184 WeakPolarHBondContact O-CD1 3.39Å; A181-F184 HydrophobicContact CB-CB 4.09Å; A181-F184 WeakPolarHBondContact O-CB 3.33Å; A181-F184 PolarHBondContact O-N 3.26Å; F184-L198 HydrophobicContact CE1-CB 4.43Å; F184-L198 WeakPolarHBondContact CE1-O 3.3Å; F184-L198 HydrophobicContact CZ-CB 3.9Å; F184-P201 HydrophobicContact CD2-CG 4.48Å; F184-P201 HydrophobicContact CE2-CB 4.49Å; F184-P201 HydrophobicContact CE2-CG 3.93Å | ||
| 185 | S | 95.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | trans | -90.8 | 127.6 | 176.3 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | E148 S183 V187 | E148-S185 WeakPolarHBondContact O-CB 3.5Å; E148-S185 PolarHBondContact O-N 3.33Å; S183-S185 PolarHBondContact O-N 3.36Å; S185-V187 WeakPolarHBondContact CB-O 3.41Å; S185-V187 PolarHBondContact O-N 2.87Å; S185-V187 PolarHBondContact OG-N 3.5Å; S185-V187 PolarHBondContact OG-O 2.74Å | ||
| 186 | S | 93.3 | Very high | 92.8 | Very high | 66 Ų | 66 | 63.9 Ų | 63.9 | 46% | 0.462 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -72.1 | -1.6 | 171.4 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | N196 G197 L198 | S186-N196 CarbonylContact O-C 3.56Å; S186-G197 PolarHBondContact O-N 2.99Å; S186-L198 PolarHBondContact O-N 3.4Å |
| 187 | V | 94.8 | Very high | 92.8 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.1 | 175.7 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | S185 T194 Y195 N196 | S185-V187 WeakPolarHBondContact CB-O 3.41Å; S185-V187 PolarHBondContact O-N 2.87Å; S185-V187 PolarHBondContact OG-N 3.5Å; S185-V187 PolarHBondContact OG-O 2.74Å; V187-T194 HydrophobicContact CG1-CG2 3.98Å; V187-Y195 VanDerWaalsContact CA-O 3.29Å; V187-Y195 WeakPolarHBondContact CA-O 3.38Å; V187-N196 WeakPolarHBondContact CG1-OD1 3.14Å |
| 188 | D | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.011 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 154.2 | 173.4 | -159.5 | 2.2 | 0 | 0 | 0 | 110.8 | S149 L150 S151 Y195 L198 I202 | S149-D188 WeakPolarHBondContact CB-OD1 3.23Å; L150-D188 PolarHBondContact N-OD1 3.47Å; L150-D188 PolarHBondContact N-OD2 2.89Å; S151-D188 WeakPolarHBondContact CB-OD1 3.36Å; S151-D188 PolarHBondContact N-OD1 3.4Å; S151-D188 PolarHBondContact OG-OD1 3.32Å; D188-Y195 PolarHBondContact N-O 3Å; D188-Y195 PolarHBondContact O-N 2.92Å; D188-L198 HydrophobicContact CB-CD1 3.56Å; D188-I202 HydrophobicContact CB-CD1 3.83Å |
| 189 | I | 94.9 | Very high | 92.6 | Very high | 77 Ų | 77 | 63.9 Ų | 63.9 | 40% | 0.395 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.2 | 178 | -58.5 | 171.8 | 0 | 0 | 0 | 108.1 | R193 T194 | I189-R193 WeakPolarHBondContact CA-O 3.38Å; I189-T194 HydrophobicContact CG1-CG2 4.35Å |
| 190 | Y | 94.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 133.7 | -179.4 | -166.5 | -98.4 | 0 | 0 | 0 | 110.9 | F48 K49 V50 L150 G192 R193 I202 L207 Y211 I213 | F48-Y190 HydrophobicContact CB-CE2 4.26Å; F48-Y190 HydrophobicContact CD1-CE2 4.02Å; K49-Y190 HydrophobicContact CB-CE1 4.12Å; K49-Y190 HydrophobicContact CB-CE2 4.19Å; K49-Y190 PolarHBondContact N-OH 3.37Å; V50-Y190 HydrophobicContact CG1-CD2 3.9Å; V50-Y190 HydrophobicContact CG1-CE2 4.36Å; L150-Y190 HydrophobicContact CD1-CD2 3.52Å; L150-Y190 HydrophobicContact CD1-CE2 3.54Å; Y190-G192 PolarHBondContact O-N 2.89Å; Y190-R193 PolarHBondContact N-O 2.59Å; Y190-R193 PolarHBondContact O-N 3.06Å; Y190-I202 VanDerWaalsContact CB-CD1 3.48Å; Y190-I202 HydrophobicContact CD1-CG2 4.13Å; Y190-I202 HydrophobicContact CD2-CG2 4.34Å; Y190-I202 HydrophobicContact CG-CD1 4.27Å; Y190-I202 HydrophobicContact CG-CG2 4Å; Y190-L207 HydrophobicContact CE1-CD2 4.44Å; Y190-Y211 WeakPolarHBondContact CE1-O 3.22Å; Y190-Y211 PolarHBondContact OH-O 3.22Å; Y190-I213 HydrophobicContact CD1-CD1 3.71Å; Y190-I213 HydrophobicContact CD1-CG1 4.07Å; Y190-I213 HydrophobicContact CE1-CD1 4.19Å; Y190-I213 HydrophobicContact CE1-CG1 4.01Å |
| 191 | D | 93.1 | Very high | 93.1 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37.1 | -177.5 | -156.3 | 12.4 | 0 | 0 | 0 | 113 | K49 R193 | K49-D191 HydrophobicContact CB-CB 3.98Å; K49-D191 HydrophobicContact CD-CB 3.73Å; K49-D191 WeakPolarHBondContact CD-OD1 3.48Å; K49-D191 VanDerWaalsContact CD-OD2 3.3Å; K49-D191 WeakPolarHBondContact CD-OD2 3.44Å; K49-D191 IonicContact NZ-OD1 3.91Å; K49-D191 PolarHBondContact NZ-OD1 3.05Å; K49-D191 IonicContact NZ-OD2 3.87Å; K49-D191 PolarHBondContact NZ-OD2 3.25Å; K49-D191 PolarHBondContact O-N 3.18Å; D191-R193 PolarHBondContact O-N 3.4Å |
| 192 | G | 91 | Very high | 93.4 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 76% | 0.763 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 1.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y190 | Y190-G192 PolarHBondContact O-N 2.89Š|
| 193 | R | 92.2 | Very high | 93.7 | Very high | 99 Ų | 99 | 42.3 Ų | 42.3 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 134.9 | 177.7 | -174.1 | 175.5 | -175.6 | -147.5 | 7.3 | 111.3 | I189 Y190 D191 Y195 I216 | I189-R193 WeakPolarHBondContact CA-O 3.38Å; Y190-R193 PolarHBondContact N-O 2.59Å; Y190-R193 PolarHBondContact O-N 3.06Å; D191-R193 PolarHBondContact O-N 3.4Å; R193-Y195 HydrophobicContact CB-CE2 3.91Å; R193-Y195 HydrophobicContact CG-CD2 4.39Å; R193-Y195 HydrophobicContact CG-CE2 3.95Å; R193-Y195 PolarHBondContact NH1-OH 3.38Å; R193-Y195 WeakPolarHBondContact O-CD2 3.37Å; R193-I216 PolarHBondContact NH1-O 3.42Å |
| 194 | T | 94 | Very high | 93.8 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 45% | 0.454 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 126.1 | 171.3 | -50.5 | 0 | 0 | 0 | 0 | 110.1 | V187 I189 N196 | V187-T194 HydrophobicContact CG1-CG2 3.98Å; I189-T194 HydrophobicContact CG1-CG2 4.35Å; T194-N196 WeakPolarHBondContact CG2-OD1 3.48Å |
| 195 | Y | 93.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122 | 173.2 | -68.4 | -100.4 | 0 | 0 | 0 | 108.3 | V187 D188 R193 I202 I213 L220 | V187-Y195 VanDerWaalsContact CA-O 3.29Å; V187-Y195 WeakPolarHBondContact CA-O 3.38Å; D188-Y195 PolarHBondContact N-O 3Å; D188-Y195 PolarHBondContact O-N 2.92Å; R193-Y195 HydrophobicContact CB-CE2 3.91Å; R193-Y195 HydrophobicContact CG-CD2 4.39Å; R193-Y195 HydrophobicContact CG-CE2 3.95Å; R193-Y195 PolarHBondContact NH1-OH 3.38Å; R193-Y195 WeakPolarHBondContact O-CD2 3.37Å; Y195-I202 HydrophobicContact CD2-CD1 3.62Å; Y195-I202 HydrophobicContact CE2-CD1 4.05Å; Y195-I202 HydrophobicContact CG-CD1 3.99Å; Y195-I213 HydrophobicContact CE2-CD1 4.37Å; Y195-I213 VanDerWaalsContact OH-CD1 3.22Å; Y195-I213 WeakPolarHBondContact OH-CD1 3.47Å; Y195-L220 HydrophobicContact CD1-CD1 4.13Å; Y195-L220 HydrophobicContact CD1-CG 4.21Å |
| 196 | N | 93.3 | Very high | 93.6 | Very high | 99 Ų | 99 | 40 Ų | 40 | 53% | 0.529 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 151.3 | -178.7 | -65.5 | -35.2 | 0 | 0 | 0 | 110.4 | S186 V187 T194 L198 L220 | S186-N196 CarbonylContact O-C 3.56Å; V187-N196 WeakPolarHBondContact CG1-OD1 3.14Å; T194-N196 WeakPolarHBondContact CG2-OD1 3.48Å; N196-L198 VanDerWaalsContact C-N 3.32Å; N196-L220 WeakPolarHBondContact O-CD2 3.29Å |
| 197 | G | 91.6 | Very high | 93.6 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 59% | 0.588 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 70.6 | 31.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S186 | S186-G197 PolarHBondContact O-N 2.99Š|
| 198 | L | 92.4 | Very high | 93.4 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | trans | -67.2 | 132.8 | 177.5 | -61.4 | -176.7 | 0 | 0 | 0 | 110.7 | F184 S186 D188 N196 I202 P219 L220 | F184-L198 HydrophobicContact CE1-CB 4.43Å; F184-L198 WeakPolarHBondContact CE1-O 3.3Å; F184-L198 HydrophobicContact CZ-CB 3.9Å; S186-L198 PolarHBondContact O-N 3.4Å; D188-L198 HydrophobicContact CB-CD1 3.56Å; N196-L198 VanDerWaalsContact C-N 3.32Å; L198-I202 HydrophobicContact CD1-CG1 4.4Å; L198-P219 HydrophobicContact CD2-CG 3.59Å; L198-L220 HydrophobicContact CD2-CD2 3.97Å | ||
| 199 | T | 90.9 | Very high | 93.1 | Very high | 72 Ų | 72 | 45.4 Ų | 45.4 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -109 | -17.4 | 168.2 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | L179 | L179-T199 HydrophobicContact CD2-CG2 4.15Š|
| 200 | T | 92.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -134.5 | 151.6 | 175.4 | 64.5 | 0 | 0 | 0 | 0 | 110.4 | P175 P219 Q228 | P175-T200 HydrophobicContact CB-CG2 3.65Å; T200-P219 WeakPolarHBondContact OG1-CB 3.02Å; T200-Q228 PolarHBondContact OG1-NE2 3.2Å |
| 201 | P | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -65 | 149.1 | 178 | -26.1 | 34.7 | 0 | 0 | 0 | 114.2 | Y147 M164 F178 F184 P203 C204 | Y147-P201 HydrophobicContact CD1-CB 4.46Å; Y147-P201 HydrophobicContact CD1-CG 4Å; Y147-P201 HydrophobicContact CE1-CB 3.69Å; Y147-P201 HydrophobicContact CE1-CG 3.68Å; Y147-P201 HydrophobicContact CE2-CB 4.45Å; M164-P201 HydrophobicContact CE-CB 3.95Å; M164-P201 HydrophobicContact CE-CG 4.25Å; F178-P201 HydrophobicContact CD1-CG 3.67Å; F178-P201 HydrophobicContact CD2-CG 3.61Å; F178-P201 HydrophobicContact CE1-CG 3.53Å; F178-P201 VanDerWaalsContact CE2-CD 3.4Å; F178-P201 HydrophobicContact CE2-CG 3.45Å; F178-P201 VanDerWaalsContact CE2-CG 3.45Å; F178-P201 HydrophobicContact CG-CG 3.72Å; F178-P201 HydrophobicContact CZ-CG 3.43Å; F178-P201 VanDerWaalsContact CZ-CG 3.43Å; F184-P201 HydrophobicContact CD2-CG 4.48Å; F184-P201 HydrophobicContact CE2-CB 4.49Å; F184-P201 HydrophobicContact CE2-CG 3.93Å; P201-P203 VanDerWaalsContact C-CD 3.47Å; P201-P203 HydrophobicContact CB-CG 4.4Å; P201-C204 VanDerWaalsContact O-CB 3.24Å; P201-C204 WeakPolarHBondContact O-CB 3.3Å; P201-C204 PolarHBondContact O-N 3.22Å | ||
| 202 | I | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -53.8 | -42.4 | 171.5 | -65.5 | 177.2 | 0 | 0 | 0 | 113.2 | L150 D188 Y190 Y195 L198 C204 C205 I213 P219 | L150-I202 HydrophobicContact CD1-CB 4.37Å; L150-I202 HydrophobicContact CD1-CG2 4.35Å; D188-I202 HydrophobicContact CB-CD1 3.83Å; Y190-I202 VanDerWaalsContact CB-CD1 3.48Å; Y190-I202 HydrophobicContact CD1-CG2 4.13Å; Y190-I202 HydrophobicContact CD2-CG2 4.34Å; Y190-I202 HydrophobicContact CG-CD1 4.27Å; Y190-I202 HydrophobicContact CG-CG2 4Å; Y195-I202 HydrophobicContact CD2-CD1 3.62Å; Y195-I202 HydrophobicContact CE2-CD1 4.05Å; Y195-I202 HydrophobicContact CG-CD1 3.99Å; L198-I202 HydrophobicContact CD1-CG1 4.4Å; I202-C204 PolarHBondContact O-N 2.64Å; I202-C205 VanDerWaalsContact O-CB 3.23Å; I202-C205 WeakPolarHBondContact O-CB 3.48Å; I202-C205 PolarHBondContact O-N 2.98Å; I202-C205 PolarHBondContact O-SG 3.2Å; I202-I213 HydrophobicContact CG2-CD1 3.72Å; I202-I213 HydrophobicContact CG2-CG1 4.23Å; I202-P219 HydrophobicContact CG1-CG 4.29Å |
| 203 | P | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -67.4 | -2.7 | 177.7 | 1.3 | 2.3 | 0 | 0 | 0 | 115.4 | Y147 L150 M164 V165 P201 | Y147-P203 HydrophobicContact CE2-CG 4.45Å; L150-P203 HydrophobicContact CD1-CG 3.85Å; L150-P203 HydrophobicContact CD2-CG 4.02Å; L150-P203 HydrophobicContact CG-CG 3.93Å; M164-P203 HydrophobicContact CB-CB 4.26Å; M164-P203 HydrophobicContact CE-CB 3.8Å; M164-P203 HydrophobicContact CE-CG 3.69Å; V165-P203 HydrophobicContact CG2-CB 3.78Å; P201-P203 VanDerWaalsContact C-CD 3.47Å; P201-P203 HydrophobicContact CB-CG 4.4Å |
| 204 | C | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -77 | -12.4 | 165.9 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | M164 C170 P201 I202 Y229 | M164-C204 VanDerWaalsContact SD-SG 3.65Å; C170-C204 HydrophobicContact CB-CB 3.6Å; C170-C204 WeakPolarHBondContact CB-SG 3.5Å; C170-C204 WeakPolarHBondContact SG-CB 3.22Å; C170-C204 CovalentContact SG-SG 2.02Å; C170-C204 PolarHBondContact SG-SG 3.01Å; P201-C204 VanDerWaalsContact O-CB 3.24Å; P201-C204 WeakPolarHBondContact O-CB 3.3Å; P201-C204 PolarHBondContact O-N 3.22Å; I202-C204 PolarHBondContact O-N 2.64Å; C204-Y229 VanDerWaalsContact O-CD2 3.32Å; C204-Y229 WeakPolarHBondContact O-CD2 3.36Å; C204-Y229 PolarHBondContact O-N 3.36Å |
| 205 | C | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -82 | 149.5 | 172.6 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | I202 L207 I213 C218 P219 H227 | I202-C205 VanDerWaalsContact O-CB 3.23Å; I202-C205 WeakPolarHBondContact O-CB 3.48Å; I202-C205 PolarHBondContact O-N 2.98Å; I202-C205 PolarHBondContact O-SG 3.2Å; C205-L207 PolarHBondContact O-N 3.12Å; C205-I213 HydrophobicContact CB-CG2 4.14Å; C205-C218 WeakPolarHBondContact CA-SG 3.32Å; C205-C218 HydrophobicContact CB-CB 3.81Å; C205-C218 WeakPolarHBondContact CB-SG 3.34Å; C205-C218 WeakPolarHBondContact SG-CB 3.24Å; C205-C218 CovalentContact SG-SG 2.02Å; C205-C218 PolarHBondContact SG-SG 2.81Å; C205-P219 VanDerWaalsContact SG-N 3.38Å; C205-H227 WeakPolarHBondContact CA-O 3.4Å |
| 206 | E | 93.7 | Very high | 91.9 | Very high | 58 Ų | 58 | 45.5 Ų | 45.5 | 27% | 0.271 | 26% | 0.255 | S | S | . | . | trans | -66.8 | 121.7 | 173.2 | -161 | 178.5 | -168.8 | 0 | 0 | 110.3 | I214 H227 Y229 | E206-I214 HydrophobicContact CB-CD1 4.2Å; E206-I214 HydrophobicContact CG-CD1 3.7Å; E206-I214 PolarHBondContact O-N 3.33Å; E206-H227 HydrophobicContact CB-CB 4.16Å; E206-H227 PolarHBondContact N-O 3.08Å; E206-H227 IonicContact OE2-CE1 3.13Å; E206-H227 IonicContact OE2-CG 2.7Å; E206-H227 IonicContact OE2-ND1 3.88Å; E206-H227 PolarHBondContact OE2-ND1 2.9Å; E206-Y229 HydrophobicContact CB-CE1 4.43Å; E206-Y229 HydrophobicContact CG-CE1 4.34Å | ||
| 207 | L | 92.7 | Very high | 91.5 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 9% | 0.089 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -104 | 143.9 | 174.3 | -59.4 | 179.4 | 0 | 0 | 0 | 109.8 | F48 V165 Y190 C205 Y211 Q212 I213 | F48-L207 HydrophobicContact CE1-CD1 4.21Å; V165-L207 HydrophobicContact CB-CD1 4.4Å; V165-L207 HydrophobicContact CG1-CB 4.36Å; V165-L207 HydrophobicContact CG1-CD1 4Å; V165-L207 HydrophobicContact CG2-CD1 3.46Å; V165-L207 VanDerWaalsContact CG2-CD1 3.46Å; V165-L207 HydrophobicContact CG2-CG 4.2Å; Y190-L207 HydrophobicContact CE1-CD2 4.44Å; C205-L207 PolarHBondContact O-N 3.12Å; L207-Y211 HydrophobicContact CD1-CD1 4.02Å; L207-Y211 HydrophobicContact CD1-CG 4.42Å; L207-Q212 CarbonylContact C-O 3.55Å; L207-Q212 VanDerWaalsContact CA-O 3.26Å; L207-Q212 WeakPolarHBondContact CA-O 3.39Å; L207-I213 HydrophobicContact CD2-CB 4.19Å; L207-I213 HydrophobicContact CD2-CG1 3.56Å |
| 208 | N | 91.5 | Very high | 91.4 | Very high | 58 Ų | 58 | 39 Ų | 39 | 31% | 0.31 | 21% | 0.211 | S | C | . | . | trans | -76 | -179.7 | 169.5 | 73.2 | 5.7 | 0 | 0 | 0 | 111.5 | T210 Y211 Q212 I214 | N208-T210 PolarHBondContact ND2-OG1 3.04Å; N208-T210 PolarHBondContact O-N 2.85Å; N208-T210 VanDerWaalsContact O-N 3.09Å; N208-T210 WeakPolarHBondContact OD1-CA 3.06Å; N208-T210 PolarHBondContact OD1-N 3.12Å; N208-T210 PolarHBondContact OD1-OG1 3.18Å; N208-Y211 PolarHBondContact O-N 3.21Å; N208-Y211 PolarHBondContact OD1-N 3.13Å; N208-Y211 VanDerWaalsContact OD1-N 3.14Å; N208-Q212 PolarHBondContact N-O 2.74Å; N208-Q212 PolarHBondContact ND2-OE1 2.75Å; N208-Q212 WeakPolarHBondContact OD1-CB 3.45Å; N208-Q212 PolarHBondContact OD1-N 3.31Å; N208-Q212 PolarHBondContact OD1-O 3Å; N208-I214 HydrophobicContact CB-CD1 4.44Å; N208-I214 HydrophobicContact CB-CG1 4.16Å | ||
| 209 | N | 87.7 | Confident | 91.1 | Very high | 166 Ų | 166 | 38.8 Ų | 38.8 | 89% | 0.888 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18 | -179.7 | -65.2 | -25.5 | 0 | 0 | 0 | 114.4 | ||
| 210 | T | 89.3 | Confident | 90.8 | Very high | 86 Ų | 86 | 39.4 Ų | 39.4 | 53% | 0.528 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 13.8 | 174.6 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | N208 Q212 | N208-T210 PolarHBondContact ND2-OG1 3.04Å; N208-T210 PolarHBondContact O-N 2.85Å; N208-T210 VanDerWaalsContact O-N 3.09Å; N208-T210 WeakPolarHBondContact OD1-CA 3.06Å; N208-T210 PolarHBondContact OD1-N 3.12Å; N208-T210 PolarHBondContact OD1-OG1 3.18Å; T210-Q212 PolarHBondContact O-N 3.08Å; T210-Q212 PolarHBondContact OG1-OE1 2.89Å |
| 211 | Y | 91.5 | Very high | 89.9 | Confident | 13 Ų | 13 | 47 Ų | 47 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 60.7 | 26.2 | 179.6 | -75.2 | -121 | 0 | 0 | 0 | 112.8 | K47 F48 V165 Y190 L207 N208 | K47-Y211 HydrophobicContact CB-CD1 3.93Å; K47-Y211 HydrophobicContact CB-CD2 3.55Å; K47-Y211 HydrophobicContact CB-CE1 4.01Å; K47-Y211 HydrophobicContact CB-CE2 3.66Å; K47-Y211 HydrophobicContact CB-CG 3.7Å; K47-Y211 HydrophobicContact CD-CD2 3.97Å; K47-Y211 HydrophobicContact CD-CE2 3.4Å; K47-Y211 HydrophobicContact CG-CD2 4.37Å; K47-Y211 HydrophobicContact CG-CE2 4.17Å; K47-Y211 VanDerWaalsContact O-CB 3.3Å; K47-Y211 WeakPolarHBondContact O-CB 3.3Å; F48-Y211 AromaticContact CD1-CD1 3.69Å; F48-Y211 HydrophobicContact CD1-CD1 3.69Å; F48-Y211 HydrophobicContact CD1-CE1 4.17Å; F48-Y211 AromaticContact CE1-CD1 3.68Å; F48-Y211 HydrophobicContact CE1-CD1 3.68Å; F48-Y211 AromaticContact CE1-CE1 3.82Å; F48-Y211 HydrophobicContact CE1-CE1 3.82Å; F48-Y211 HydrophobicContact CG-CD1 4.34Å; F48-Y211 HydrophobicContact CZ-CD1 4.33Å; F48-Y211 HydrophobicContact CZ-CE1 4.01Å; V165-Y211 HydrophobicContact CG1-CE1 4.33Å; Y190-Y211 WeakPolarHBondContact CE1-O 3.22Å; Y190-Y211 PolarHBondContact OH-O 3.22Å; L207-Y211 HydrophobicContact CD1-CD1 4.02Å; L207-Y211 HydrophobicContact CD1-CG 4.42Å; N208-Y211 PolarHBondContact O-N 3.21Å; N208-Y211 PolarHBondContact OD1-N 3.13Å; N208-Y211 VanDerWaalsContact OD1-N 3.14Å |
| 212 | Q | 92.1 | Very high | 88.4 | Confident | 78 Ų | 78 | 50.9 Ų | 50.9 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | trans | -86.4 | 140.5 | 168 | -69 | 174.7 | -53.5 | 0 | 0 | 110.3 | K49 L207 N208 T210 I214 | K49-Q212 HydrophobicContact CD-CG 4.33Å; L207-Q212 CarbonylContact C-O 3.55Å; L207-Q212 VanDerWaalsContact CA-O 3.26Å; L207-Q212 WeakPolarHBondContact CA-O 3.39Å; N208-Q212 PolarHBondContact N-O 2.74Å; N208-Q212 PolarHBondContact ND2-OE1 2.75Å; N208-Q212 WeakPolarHBondContact OD1-CB 3.45Å; N208-Q212 PolarHBondContact OD1-N 3.31Å; N208-Q212 PolarHBondContact OD1-O 3Å; T210-Q212 PolarHBondContact O-N 3.08Å; T210-Q212 PolarHBondContact OG1-OE1 2.89Å; Q212-I214 PolarHBondContact O-N 3.01Å | ||
| 213 | I | 91.4 | Very high | 86.8 | Confident | 22 Ų | 22 | 52 Ų | 52 | 11% | 0.113 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -65.7 | 126.5 | 173.1 | -57 | 165.2 | 0 | 0 | 0 | 108.5 | Y190 Y195 I202 C205 L207 D215 | Y190-I213 HydrophobicContact CD1-CD1 3.71Å; Y190-I213 HydrophobicContact CD1-CG1 4.07Å; Y190-I213 HydrophobicContact CE1-CD1 4.19Å; Y190-I213 HydrophobicContact CE1-CG1 4.01Å; Y195-I213 HydrophobicContact CE2-CD1 4.37Å; Y195-I213 VanDerWaalsContact OH-CD1 3.22Å; Y195-I213 WeakPolarHBondContact OH-CD1 3.47Å; I202-I213 HydrophobicContact CG2-CD1 3.72Å; I202-I213 HydrophobicContact CG2-CG1 4.23Å; C205-I213 HydrophobicContact CB-CG2 4.14Å; L207-I213 HydrophobicContact CD2-CB 4.19Å; L207-I213 HydrophobicContact CD2-CG1 3.56Å; I213-D215 WeakPolarHBondContact CG2-O 3.28Å |
| 214 | I | 90.7 | Very high | 85.4 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -71.5 | -49.5 | -179.9 | -62.3 | 179 | 0 | 0 | 0 | 110.5 | E206 N208 Q212 | E206-I214 HydrophobicContact CB-CD1 4.2Å; E206-I214 HydrophobicContact CG-CD1 3.7Å; E206-I214 PolarHBondContact O-N 3.33Å; N208-I214 HydrophobicContact CB-CD1 4.44Å; N208-I214 HydrophobicContact CB-CG1 4.16Å; Q212-I214 PolarHBondContact O-N 3.01Å |
| 215 | D | 88.9 | Confident | 84.3 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | trans | -101.6 | 107.7 | 172.6 | -175.9 | 4.5 | 0 | 0 | 0 | 111.2 | I213 G217 C218 R221 H227 | I213-D215 WeakPolarHBondContact CG2-O 3.28Å; D215-G217 PolarHBondContact O-N 2.7Å; D215-G217 PolarHBondContact OD1-N 3.03Å; D215-C218 HydrophobicContact CB-CB 4.46Å; D215-C218 WeakPolarHBondContact O-CB 3.49Å; D215-C218 PolarHBondContact O-N 3.08Å; D215-R221 IonicContact OD1-NH1 3.01Å; D215-R221 PolarHBondContact OD1-NH1 2.96Å; D215-R221 IonicContact OD2-NH1 3.26Å; D215-R221 PolarHBondContact OD2-NH1 3.39Å; D215-R221 VanDerWaalsContact OD2-NH1 3.13Å; D215-H227 HydrophobicContact CB-CB 3.94Å | ||
| 216 | I | 84.9 | Confident | 83.6 | Confident | 108 Ų | 108 | 63.2 Ų | 63.2 | 55% | 0.554 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20 | 177.4 | -60.7 | 173.2 | 0 | 0 | 0 | 112.2 | R193 | R193-I216 PolarHBondContact NH1-O 3.42Š|
| 217 | G | 85.6 | Confident | 83.3 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -18.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D215 L220 R221 | D215-G217 PolarHBondContact O-N 2.7Å; D215-G217 PolarHBondContact OD1-N 3.03Å; G217-L220 WeakPolarHBondContact O-CA 3.39Å; G217-L220 PolarHBondContact O-N 3.16Å; G217-R221 PolarHBondContact O-N 3.39Å |
| 218 | C | 88.1 | Confident | 83 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 140.8 | 173.6 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | C205 D215 | C205-C218 WeakPolarHBondContact CA-SG 3.32Å; C205-C218 HydrophobicContact CB-CB 3.81Å; C205-C218 WeakPolarHBondContact CB-SG 3.34Å; C205-C218 WeakPolarHBondContact SG-CB 3.24Å; C205-C218 CovalentContact SG-SG 2.02Å; C205-C218 PolarHBondContact SG-SG 2.81Å; D215-C218 HydrophobicContact CB-CB 4.46Å; D215-C218 WeakPolarHBondContact O-CB 3.49Å; D215-C218 PolarHBondContact O-N 3.08Å |
| 219 | P | 86.7 | Confident | 82.9 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -94.8 | 22.1 | -0.9 | 35.3 | -32.9 | 0 | 0 | 0 | 114.3 | L198 T200 I202 C205 | L198-P219 HydrophobicContact CD2-CG 3.59Å; T200-P219 WeakPolarHBondContact OG1-CB 3.02Å; I202-P219 HydrophobicContact CG1-CG 4.29Å; C205-P219 VanDerWaalsContact SG-N 3.38Å |
| 220 | L | 84 | Confident | 83 | Confident | 85 Ų | 85 | 57.4 Ų | 57.4 | 45% | 0.445 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -24.7 | -177 | -63.3 | 171.4 | 0 | 0 | 0 | 113.7 | Y195 N196 L198 G217 | Y195-L220 HydrophobicContact CD1-CD1 4.13Å; Y195-L220 HydrophobicContact CD1-CG 4.21Å; N196-L220 WeakPolarHBondContact O-CD2 3.29Å; L198-L220 HydrophobicContact CD2-CD2 3.97Å; G217-L220 WeakPolarHBondContact O-CA 3.39Å; G217-L220 PolarHBondContact O-N 3.16Å |
| 221 | R | 73.2 | Confident | 83.2 | Confident | 160 Ų | 160 | 57.4 Ų | 57.4 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -74.7 | 171.5 | 172.7 | -72.2 | 179.1 | 174.2 | 167.1 | -4.6 | 110.6 | D215 G217 S223 | D215-R221 IonicContact OD1-NH1 3.01Å; D215-R221 PolarHBondContact OD1-NH1 2.96Å; D215-R221 IonicContact OD2-NH1 3.26Å; D215-R221 PolarHBondContact OD2-NH1 3.39Å; D215-R221 VanDerWaalsContact OD2-NH1 3.13Å; G217-R221 PolarHBondContact O-N 3.39Å; R221-S223 PolarHBondContact O-N 3.07Å |
| 222 | S | 63.8 | Low | 83.4 | Confident | 82 Ų | 82 | 57.2 Ų | 57.2 | 57% | 0.573 | 32% | 0.32 | S | S | * | . | trans | -48.4 | 142.8 | -179.3 | 97.1 | 0 | 0 | 0 | 0 | 110.8 | T224 G225 | S222-T224 PolarHBondContact O-N 3.49Å; S222-T224 PolarHBondContact OG-OG1 2.83Å; S222-G225 PolarHBondContact O-N 3.28Å; S222-G225 VanDerWaalsContact O-N 3.17Å | ||
| 223 | S | 62.5 | Low | 83.7 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 1.3 | -174 | 53.6 | 0 | 0 | 0 | 0 | 115.2 | Y176 R221 Q228 | Y176-S223 PolarHBondContact OH-OG 3.41Å; R221-S223 PolarHBondContact O-N 3.07Å; S223-Q228 PolarHBondContact O-NE2 2.91Å; S223-Q228 VanDerWaalsContact O-NE2 3.14Å |
| 224 | T | 65.8 | Low | 83.9 | Confident | 95 Ų | 95 | 56.8 Ų | 56.8 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | 24.9 | -173.7 | 60.7 | 0 | 0 | 0 | 0 | 112.3 | S222 | S222-T224 PolarHBondContact O-N 3.49Å; S222-T224 PolarHBondContact OG-OG1 2.83Å |
| 225 | G | 72.1 | Confident | 84.2 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | trans | -63.3 | 157.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S222 H227 Q228 | S222-G225 PolarHBondContact O-N 3.28Å; S222-G225 VanDerWaalsContact O-N 3.17Å; G225-H227 PolarHBondContact O-N 3.11Å; G225-H227 VanDerWaalsContact O-N 3.12Å; G225-Q228 PolarHBondContact O-N 3.5Å; G225-Q228 VanDerWaalsContact O-N 3.15Å | ||
| 226 | P | 79.7 | Confident | 84.5 | Confident | 118 Ų | 118 | 57.9 Ų | 57.9 | 77% | 0.766 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.3 | -176.4 | 25.3 | -34.6 | 0 | 0 | 0 | 114.2 | ||
| 227 | H | 86.2 | Confident | 85 | Confident | 66 Ų | 66 | 53.9 Ų | 53.9 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 24.8 | -179.8 | -62.3 | -64.6 | 0 | 0 | 0 | 112.9 | C205 E206 D215 G225 | C205-H227 WeakPolarHBondContact CA-O 3.4Å; E206-H227 HydrophobicContact CB-CB 4.16Å; E206-H227 PolarHBondContact N-O 3.08Å; E206-H227 IonicContact OE2-CE1 3.13Å; E206-H227 IonicContact OE2-CG 2.7Å; E206-H227 IonicContact OE2-ND1 3.88Å; E206-H227 PolarHBondContact OE2-ND1 2.9Å; D215-H227 HydrophobicContact CB-CB 3.94Å; G225-H227 PolarHBondContact O-N 3.11Å; G225-H227 VanDerWaalsContact O-N 3.12Å |
| 228 | Q | 87.9 | Confident | 85.4 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 7% | 0.065 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -120.9 | 129.6 | 175.8 | -176.5 | 165.2 | -26 | 0 | 0 | 110 | T200 S223 G225 T230 | T200-Q228 PolarHBondContact OG1-NE2 3.2Å; S223-Q228 PolarHBondContact O-NE2 2.91Å; S223-Q228 VanDerWaalsContact O-NE2 3.14Å; G225-Q228 PolarHBondContact O-N 3.5Å; G225-Q228 VanDerWaalsContact O-N 3.15Å; Q228-T230 PolarHBondContact O-N 3.12Å |
| 229 | Y | 89.1 | Confident | 85.7 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | trans | -69.6 | 121.8 | 172.5 | -52.7 | -47.5 | 0 | 0 | 0 | 109.2 | K168 C170 C204 E206 | K168-Y229 HydrophobicContact CB-CD1 3.88Å; K168-Y229 HydrophobicContact CB-CE1 3.6Å; K168-Y229 HydrophobicContact CB-CG 4.5Å; K168-Y229 HydrophobicContact CD-CE1 4.38Å; K168-Y229 HydrophobicContact CG-CE1 3.9Å; C170-Y229 WeakPolarHBondContact CB-O 3.47Å; C204-Y229 VanDerWaalsContact O-CD2 3.32Å; C204-Y229 WeakPolarHBondContact O-CD2 3.36Å; C204-Y229 PolarHBondContact O-N 3.36Å; E206-Y229 HydrophobicContact CB-CE1 4.43Å; E206-Y229 HydrophobicContact CG-CE1 4.34Å | ||
| 230 | T | 90 | Very high | 86 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | trans | -107.5 | -6.6 | 179.1 | 53.2 | 0 | 0 | 0 | 0 | 113 | Q228 | Q228-T230 PolarHBondContact O-N 3.12Š| ||
| 231 | V | 93.1 | Very high | 86.4 | Confident | 86 Ų | 86 | 57 Ų | 57 | 52% | 0.521 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -89.8 | 130.3 | -178.9 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | C169 C170 V236 | C169-V231 CarbonylContact C-O 3.41Å; C169-V231 WeakPolarHBondContact CA-O 3.39Å; C169-V231 VanDerWaalsContact CB-O 3.25Å; C169-V231 WeakPolarHBondContact CB-O 3.22Å; C170-V231 PolarHBondContact N-O 2.85Å; V231-V236 HydrophobicContact CG1-CG2 4.43Å |
| 232 | G | 95.8 | Very high | 87.3 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | trans | -59.4 | 145.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | C170 Y172 I173 R234 | C170-G232 WeakPolarHBondContact O-CA 3.45Å; Y172-G232 CarbonylContact O-C 3.58Å; Y172-G232 WeakPolarHBondContact O-CA 3.38Å; I173-G232 VanDerWaalsContact C-CA 3.45Å; I173-G232 WeakPolarHBondContact O-CA 3.25Å; I173-G232 PolarHBondContact O-N 3.16Å; G232-R234 VanDerWaalsContact C-N 3.29Å; G232-R234 PolarHBondContact O-N 3.38Å | ||
| 233 | C | 97.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.7 | -16.3 | 178.5 | -64 | 0 | 0 | 0 | 0 | 113.8 | L140 C169 G171 Y172 E235 V236 F237 | L140-C233 HydrophobicContact CD1-CB 4.46Å; L140-C233 HydrophobicContact CD2-CB 3.69Å; C169-C233 HydrophobicContact CB-CB 3.89Å; C169-C233 WeakPolarHBondContact CB-SG 3.08Å; C169-C233 WeakPolarHBondContact SG-CA 3.3Å; C169-C233 WeakPolarHBondContact SG-CB 3.46Å; C169-C233 CovalentContact SG-SG 2.03Å; C169-C233 PolarHBondContact SG-SG 3.35Å; G171-C233 WeakPolarHBondContact O-CB 3.3Å; G171-C233 PolarHBondContact O-N 3.44Å; G171-C233 PolarHBondContact O-SG 3.49Å; G171-C233 VanDerWaalsContact O-SG 3.36Å; Y172-C233 PolarHBondContact O-N 3.14Å; C233-E235 PolarHBondContact O-N 3.13Å; C233-V236 PolarHBondContact O-N 2.59Å; C233-F237 WeakPolarHBondContact O-CB 3.48Å; C233-F237 PolarHBondContact O-N 2.93Å |
| 234 | R | 97.4 | Very high | 90.1 | Very high | 90 Ų | 90 | 57.3 Ų | 57.3 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -50.8 | -62.1 | -173.8 | 178.2 | -174.4 | -178.9 | 172.2 | 4.4 | 113.2 | E137 Y172 G232 G238 | E137-R234 HydrophobicContact CB-CG 4.42Å; E137-R234 VanDerWaalsContact CD-CG 3.49Å; E137-R234 HydrophobicContact CG-CG 3.74Å; E137-R234 IonicContact OE1-NE 3.44Å; E137-R234 IonicContact OE2-CZ 2.75Å; E137-R234 IonicContact OE2-NE 3.83Å; E137-R234 PolarHBondContact OE2-NE 2.93Å; E137-R234 IonicContact OE2-NH2 2.85Å; E137-R234 PolarHBondContact OE2-NH2 3.36Å; E137-R234 VanDerWaalsContact OE2-NH2 3.12Å; Y172-R234 HydrophobicContact CD2-CB 3.88Å; Y172-R234 HydrophobicContact CD2-CG 4.29Å; Y172-R234 HydrophobicContact CE1-CG 4.46Å; Y172-R234 HydrophobicContact CE2-CB 3.73Å; Y172-R234 HydrophobicContact CE2-CG 3.61Å; Y172-R234 HydrophobicContact CG-CB 4.43Å; Y172-R234 WeakPolarHBondContact O-CB 3.41Å; Y172-R234 PolarHBondContact O-N 2.83Å; Y172-R234 WeakPolarHBondContact OH-CD 3.48Å; Y172-R234 PolarHBondContact OH-NE 3.43Å; G232-R234 VanDerWaalsContact C-N 3.29Å; G232-R234 PolarHBondContact O-N 3.38Å; R234-G238 PolarHBondContact O-N 2.87Å |
| 235 | E | 95.1 | Very high | 91.3 | Very high | 87 Ų | 87 | 53.1 Ų | 53.1 | 41% | 0.407 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.8 | -40.5 | -174.9 | -70.2 | -63.5 | 154.2 | 0 | 0 | 111.5 | R133 C233 G238 N239 | R133-E235 IonicContact NH1-OE1 3.08Å; R133-E235 IonicContact NH1-OE2 3.12Å; R133-E235 PolarHBondContact NH1-OE2 3.35Å; R133-E235 VanDerWaalsContact NH1-OE2 3.08Å; C233-E235 PolarHBondContact O-N 3.13Å; E235-G238 PolarHBondContact O-N 2.89Å; E235-N239 VanDerWaalsContact O-CB 3.22Å; E235-N239 WeakPolarHBondContact O-CB 3.4Å; E235-N239 PolarHBondContact O-N 3.44Å; E235-N239 PolarHBondContact O-ND2 2.96Å |
| 236 | V | 95.7 | Very high | 92.2 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.8 | -49 | 179.9 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | L167 V231 C233 N239 I240 | L167-V236 HydrophobicContact CB-CG1 4.09Å; L167-V236 HydrophobicContact CD1-CG1 4.37Å; V231-V236 HydrophobicContact CG1-CG2 4.43Å; C233-V236 PolarHBondContact O-N 2.59Å; V236-N239 PolarHBondContact O-N 3.19Å; V236-I240 HydrophobicContact CG1-CD1 4.26Å; V236-I240 WeakPolarHBondContact O-CG1 3.5Å; V236-I240 PolarHBondContact O-N 3.12Å; V236-I240 VanDerWaalsContact O-N 3.11Å |
| 237 | F | 95.4 | Very high | 92.8 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -46.8 | 178.7 | -174.7 | -94.3 | 0 | 0 | 0 | 111.6 | F70 A136 L140 I163 L167 C233 N239 I240 F241 | F70-F237 AromaticContact CD1-CE1 3.74Å; F70-F237 HydrophobicContact CD1-CE1 3.74Å; F70-F237 AromaticContact CD1-CZ 3.51Å; F70-F237 HydrophobicContact CD1-CZ 3.51Å; F70-F237 HydrophobicContact CD2-CZ 4.39Å; F70-F237 AromaticContact CE1-CE1 3.3Å; F70-F237 HydrophobicContact CE1-CE1 3.3Å; F70-F237 HydrophobicContact CE1-CE2 4.33Å; F70-F237 AromaticContact CE1-CZ 3.18Å; F70-F237 HydrophobicContact CE1-CZ 3.18Å; F70-F237 HydrophobicContact CE2-CZ 4.12Å; F70-F237 HydrophobicContact CG-CZ 4.1Å; F70-F237 AromaticContact CZ-CE1 3.98Å; F70-F237 HydrophobicContact CZ-CE1 3.98Å; F70-F237 HydrophobicContact CZ-CE2 4.3Å; F70-F237 AromaticContact CZ-CZ 3.51Å; F70-F237 HydrophobicContact CZ-CZ 3.51Å; A136-F237 HydrophobicContact CB-CD1 4.35Å; A136-F237 HydrophobicContact CB-CE1 3.93Å; L140-F237 HydrophobicContact CB-CD1 4.17Å; L140-F237 HydrophobicContact CB-CE1 4.41Å; L140-F237 HydrophobicContact CD2-CB 3.67Å; L140-F237 HydrophobicContact CD2-CD1 4.05Å; L140-F237 HydrophobicContact CD2-CG 3.9Å; I163-F237 HydrophobicContact CD1-CE2 4.06Å; I163-F237 HydrophobicContact CG2-CD2 4.09Å; L167-F237 HydrophobicContact CD1-CB 4.05Å; L167-F237 HydrophobicContact CD1-CD2 3.8Å; L167-F237 HydrophobicContact CD1-CG 4.44Å; C233-F237 WeakPolarHBondContact O-CB 3.48Å; C233-F237 PolarHBondContact O-N 2.93Å; F237-N239 VanDerWaalsContact C-N 3.34Å; F237-N239 PolarHBondContact O-N 2.91Å; F237-I240 PolarHBondContact O-N 3.34Å; F237-F241 PolarHBondContact O-N 2.93Å |
| 238 | G | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.3 | -45.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R234 E235 F241 V242 | R234-G238 PolarHBondContact O-N 2.87Å; E235-G238 PolarHBondContact O-N 2.89Å; G238-F241 PolarHBondContact O-N 2.84Å; G238-V242 WeakPolarHBondContact O-CG2 3.39Å; G238-V242 PolarHBondContact O-N 2.7Å |
| 239 | N | 94.3 | Very high | 93.1 | Very high | 90 Ų | 90 | 53.4 Ų | 53.4 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 178.8 | -73 | -29.7 | 0 | 0 | 0 | 112.7 | E235 V236 F237 F241 R243 | E235-N239 VanDerWaalsContact O-CB 3.22Å; E235-N239 WeakPolarHBondContact O-CB 3.4Å; E235-N239 PolarHBondContact O-N 3.44Å; E235-N239 PolarHBondContact O-ND2 2.96Å; V236-N239 PolarHBondContact O-N 3.19Å; F237-N239 VanDerWaalsContact C-N 3.34Å; F237-N239 PolarHBondContact O-N 2.91Å; N239-F241 VanDerWaalsContact C-N 3.35Å; N239-R243 VanDerWaalsContact O-CB 3.3Å; N239-R243 WeakPolarHBondContact O-CB 3.15Å; N239-R243 PolarHBondContact O-N 2.98Å |
| 240 | I | 93.6 | Very high | 93.2 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 174.5 | -71.8 | 170.1 | 0 | 0 | 0 | 110.5 | L167 V236 F237 R243 I244 | L167-I240 HydrophobicContact CD1-CD1 3.97Å; L167-I240 HydrophobicContact CD2-CD1 3.27Å; L167-I240 HydrophobicContact CG-CD1 4.24Å; V236-I240 HydrophobicContact CG1-CD1 4.26Å; V236-I240 WeakPolarHBondContact O-CG1 3.5Å; V236-I240 PolarHBondContact O-N 3.12Å; V236-I240 VanDerWaalsContact O-N 3.11Å; F237-I240 PolarHBondContact O-N 3.34Å; I240-R243 WeakPolarHBondContact O-CB 3Å; I240-R243 PolarHBondContact O-N 3.48Å; I240-I244 HydrophobicContact CG2-CD1 4Å; I240-I244 WeakPolarHBondContact O-CG1 3.38Å; I240-I244 PolarHBondContact O-N 3.48Å |
| 241 | F | 91.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 59 Ų | 59 | 6% | 0.057 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 179.4 | -163.3 | -88.6 | 0 | 0 | 0 | 111.6 | F70 I132 A136 F237 G238 N239 R243 I244 V245 | F70-F241 HydrophobicContact CB-CE2 4.31Å; F70-F241 WeakPolarHBondContact O-CE2 3.42Å; F70-F241 WeakPolarHBondContact O-CZ 3.37Å; I132-F241 HydrophobicContact CG2-CD1 3.41Å; I132-F241 VanDerWaalsContact CG2-CD1 3.41Å; I132-F241 HydrophobicContact CG2-CE1 3.33Å; A136-F241 HydrophobicContact CB-CB 3.9Å; A136-F241 HydrophobicContact CB-CD1 3.78Å; A136-F241 HydrophobicContact CB-CD2 4.09Å; A136-F241 HydrophobicContact CB-CE1 4.4Å; A136-F241 HydrophobicContact CB-CG 3.61Å; F237-F241 PolarHBondContact O-N 2.93Å; G238-F241 PolarHBondContact O-N 2.84Å; N239-F241 VanDerWaalsContact C-N 3.35Å; F241-R243 VanDerWaalsContact C-N 3.29Å; F241-R243 PolarHBondContact O-N 3.06Å; F241-I244 PolarHBondContact O-N 3.03Å; F241-V245 HydrophobicContact CD1-CG2 4Å; F241-V245 HydrophobicContact CE1-CG2 3.58Å; F241-V245 HydrophobicContact CZ-CG2 4.19Å; F241-V245 WeakPolarHBondContact O-CG2 3.29Å; F241-V245 PolarHBondContact O-N 3.4Å |
| 242 | V | 92.8 | Very high | 93.2 | Very high | 22 Ų | 22 | 56 Ų | 56 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 175.5 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | T129 R133 G238 I244 V245 T246 | T129-V242 HydrophobicContact CG2-CG1 3.96Å; R133-V242 HydrophobicContact CB-CG2 3.73Å; R133-V242 HydrophobicContact CG-CG2 4.32Å; G238-V242 WeakPolarHBondContact O-CG2 3.39Å; G238-V242 PolarHBondContact O-N 2.7Å; V242-I244 PolarHBondContact O-N 2.92Å; V242-V245 PolarHBondContact O-N 3.35Å; V242-T246 VanDerWaalsContact O-CB 3.25Å; V242-T246 WeakPolarHBondContact O-CB 3.15Å; V242-T246 PolarHBondContact O-N 2.92Å; V242-T246 PolarHBondContact O-OG1 2.69Å |
| 243 | R | 93.2 | Very high | 93 | Very high | 183 Ų | 183 | 58.9 Ų | 58.9 | 69% | 0.691 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | 177.3 | -176.8 | 177.9 | -180 | 179.8 | 0.8 | 111.6 | N239 I240 F241 T246 I247 | N239-R243 VanDerWaalsContact O-CB 3.3Å; N239-R243 WeakPolarHBondContact O-CB 3.15Å; N239-R243 PolarHBondContact O-N 2.98Å; I240-R243 WeakPolarHBondContact O-CB 3Å; I240-R243 PolarHBondContact O-N 3.48Å; F241-R243 VanDerWaalsContact C-N 3.29Å; F241-R243 PolarHBondContact O-N 3.06Å; R243-T246 PolarHBondContact O-N 3.1Å; R243-I247 HydrophobicContact CG-CD1 4.15Å; R243-I247 VanDerWaalsContact O-CG1 3.31Å; R243-I247 WeakPolarHBondContact O-CG1 3.15Å; R243-I247 PolarHBondContact O-N 3.26Å |
| 244 | I | 91.2 | Very high | 92.8 | Very high | 68 Ų | 68 | 63.6 Ų | 63.6 | 35% | 0.349 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.1 | -52.5 | 177.3 | -68.6 | 167.1 | 0 | 0 | 0 | 109.9 | L74 I240 F241 V242 T246 I247 F248 | L74-I244 HydrophobicContact CD2-CG2 4.16Å; I240-I244 HydrophobicContact CG2-CD1 4Å; I240-I244 WeakPolarHBondContact O-CG1 3.38Å; I240-I244 PolarHBondContact O-N 3.48Å; F241-I244 PolarHBondContact O-N 3.03Å; V242-I244 PolarHBondContact O-N 2.92Å; I244-T246 VanDerWaalsContact C-N 3.27Å; I244-T246 PolarHBondContact O-N 3.48Å; I244-I247 WeakPolarHBondContact O-CB 3.05Å; I244-I247 PolarHBondContact O-N 3.42Å; I244-I247 VanDerWaalsContact O-N 3.12Å; I244-F248 HydrophobicContact CG2-CD2 3.95Å; I244-F248 HydrophobicContact CG2-CE2 3.95Å; I244-F248 WeakPolarHBondContact O-CD2 3.26Å; I244-F248 PolarHBondContact O-N 2.7Å; I244-F248 VanDerWaalsContact O-N 3.07Å |
| 245 | V | 90.4 | Very high | 92.6 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -33.7 | -177.7 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | L74 F125 I132 F241 V242 F248 S249 | L74-V245 HydrophobicContact CB-CG2 4.4Å; L74-V245 HydrophobicContact CD1-CG1 4.09Å; L74-V245 HydrophobicContact CD1-CG2 4.39Å; F125-V245 HydrophobicContact CD1-CG1 4.38Å; F125-V245 HydrophobicContact CD2-CG1 3.58Å; F125-V245 HydrophobicContact CE1-CB 4.34Å; F125-V245 HydrophobicContact CE1-CG1 3.92Å; F125-V245 HydrophobicContact CE2-CB 3.58Å; F125-V245 HydrophobicContact CE2-CG1 3.05Å; F125-V245 HydrophobicContact CG-CG1 4.24Å; F125-V245 HydrophobicContact CZ-CB 3.44Å; F125-V245 VanDerWaalsContact CZ-CB 3.44Å; F125-V245 HydrophobicContact CZ-CG1 3.24Å; I132-V245 HydrophobicContact CD1-CG1 4.35Å; I132-V245 HydrophobicContact CG2-CG2 4.18Å; F241-V245 HydrophobicContact CD1-CG2 4Å; F241-V245 HydrophobicContact CE1-CG2 3.58Å; F241-V245 HydrophobicContact CZ-CG2 4.19Å; F241-V245 WeakPolarHBondContact O-CG2 3.29Å; F241-V245 PolarHBondContact O-N 3.4Å; V242-V245 PolarHBondContact O-N 3.35Å; V245-F248 PolarHBondContact O-N 2.9Å; V245-S249 WeakPolarHBondContact O-CB 3.42Å; V245-S249 PolarHBondContact O-N 3.42Å; V245-S249 PolarHBondContact O-OG 2.94Å |
| 246 | T | 91.9 | Very high | 92.6 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 172.3 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | V242 R243 I244 F248 S249 Y250 | V242-T246 VanDerWaalsContact O-CB 3.25Å; V242-T246 WeakPolarHBondContact O-CB 3.15Å; V242-T246 PolarHBondContact O-N 2.92Å; V242-T246 PolarHBondContact O-OG1 2.69Å; R243-T246 PolarHBondContact O-N 3.1Å; I244-T246 VanDerWaalsContact C-N 3.27Å; I244-T246 PolarHBondContact O-N 3.48Å; T246-F248 VanDerWaalsContact C-N 3.35Å; T246-F248 PolarHBondContact O-N 3.23Å; T246-S249 PolarHBondContact O-N 2.99Å; T246-Y250 HydrophobicContact CG2-CD2 3.6Å; T246-Y250 HydrophobicContact CG2-CE2 3.22Å; T246-Y250 VanDerWaalsContact O-CD2 3.24Å; T246-Y250 WeakPolarHBondContact O-CD2 3.37Å; T246-Y250 PolarHBondContact O-N 3.36Å |
| 247 | I | 91.7 | Very high | 92.6 | Very high | 92 Ų | 92 | 59.5 Ų | 59.5 | 47% | 0.472 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 175.6 | -69.3 | 164.2 | 0 | 0 | 0 | 111 | R243 I244 S249 Y250 S251 | R243-I247 HydrophobicContact CG-CD1 4.15Å; R243-I247 VanDerWaalsContact O-CG1 3.31Å; R243-I247 WeakPolarHBondContact O-CG1 3.15Å; R243-I247 PolarHBondContact O-N 3.26Å; I244-I247 WeakPolarHBondContact O-CB 3.05Å; I244-I247 PolarHBondContact O-N 3.42Å; I244-I247 VanDerWaalsContact O-N 3.12Å; I247-S249 VanDerWaalsContact C-N 3.34Å; I247-S249 PolarHBondContact O-N 3.42Å; I247-Y250 PolarHBondContact O-N 3.45Å; I247-S251 WeakPolarHBondContact O-CB 3.45Å; I247-S251 PolarHBondContact O-N 3.2Å; I247-S251 PolarHBondContact O-OG 3.18Å |
| 248 | F | 89.8 | Confident | 92.6 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 40% | 0.399 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.8 | -88.8 | -90.5 | 0 | 0 | 0 | 112.2 | L74 I244 V245 T246 S251 S252 | L74-F248 HydrophobicContact CD1-CB 3.74Å; L74-F248 HydrophobicContact CD1-CD1 4.19Å; L74-F248 HydrophobicContact CD1-CD2 4.2Å; L74-F248 HydrophobicContact CD1-CG 3.79Å; L74-F248 HydrophobicContact CD2-CD2 3.7Å; L74-F248 HydrophobicContact CD2-CE2 3.8Å; L74-F248 HydrophobicContact CD2-CG 4.09Å; L74-F248 HydrophobicContact CD2-CZ 4.26Å; L74-F248 HydrophobicContact CG-CG 4.46Å; I244-F248 HydrophobicContact CG2-CD2 3.95Å; I244-F248 HydrophobicContact CG2-CE2 3.95Å; I244-F248 WeakPolarHBondContact O-CD2 3.26Å; I244-F248 PolarHBondContact O-N 2.7Å; I244-F248 VanDerWaalsContact O-N 3.07Å; V245-F248 PolarHBondContact O-N 2.9Å; T246-F248 VanDerWaalsContact C-N 3.35Å; T246-F248 PolarHBondContact O-N 3.23Å; F248-S251 WeakPolarHBondContact O-CB 3.46Å; F248-S251 PolarHBondContact O-N 3.47Å; F248-S252 PolarHBondContact O-N 2.68Å |
| 249 | S | 90.4 | Very high | 92.6 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 179.6 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | F125 V245 T246 I247 S252 | F125-S249 WeakPolarHBondContact CD1-OG 3.09Å; F125-S249 WeakPolarHBondContact CE1-OG 3.3Å; V245-S249 WeakPolarHBondContact O-CB 3.42Å; V245-S249 PolarHBondContact O-N 3.42Å; V245-S249 PolarHBondContact O-OG 2.94Å; T246-S249 PolarHBondContact O-N 2.99Å; I247-S249 VanDerWaalsContact C-N 3.34Å; I247-S249 PolarHBondContact O-N 3.42Å; S249-S252 PolarHBondContact O-N 2.03Å; S249-S252 PolarHBondContact O-OG 3.38Å |
| 250 | Y | 91.6 | Very high | 92.7 | Very high | 137 Ų | 137 | 59.8 Ų | 59.8 | 54% | 0.537 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.6 | -37.1 | 172.8 | -73.3 | -52 | 0 | 0 | 0 | 112.4 | T246 I247 S252 L253 | T246-Y250 HydrophobicContact CG2-CD2 3.6Å; T246-Y250 HydrophobicContact CG2-CE2 3.22Å; T246-Y250 VanDerWaalsContact O-CD2 3.24Å; T246-Y250 WeakPolarHBondContact O-CD2 3.37Å; T246-Y250 PolarHBondContact O-N 3.36Å; I247-Y250 PolarHBondContact O-N 3.45Å; Y250-S252 PolarHBondContact O-N 3.06Å; Y250-L253 HydrophobicContact CD1-CD1 3.92Å; Y250-L253 VanDerWaalsContact O-CB 3.32Å; Y250-L253 WeakPolarHBondContact O-CB 3.32Å; Y250-L253 PolarHBondContact O-N 2.93Å |
| 251 | S | 89.7 | Confident | 92.8 | Very high | 76 Ų | 76 | 58.9 Ų | 58.9 | 53% | 0.531 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.8 | -31.7 | 176.4 | -57.8 | 0 | 0 | 0 | 0 | 112 | I247 F248 L253 L254 | I247-S251 WeakPolarHBondContact O-CB 3.45Å; I247-S251 PolarHBondContact O-N 3.2Å; I247-S251 PolarHBondContact O-OG 3.18Å; F248-S251 WeakPolarHBondContact O-CB 3.46Å; F248-S251 PolarHBondContact O-N 3.47Å; S251-L253 VanDerWaalsContact C-N 3.27Å; S251-L253 PolarHBondContact O-N 3Å; S251-L254 PolarHBondContact O-N 2.96Å |
| 252 | S | 93 | Very high | 93 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73.9 | -14.8 | 179 | 84 | 0 | 0 | 0 | 0 | 113.8 | H118 V122 F248 S249 Y250 L254 I255 I256 | H118-S252 WeakPolarHBondContact NE2-CB 3.43Å; H118-S252 PolarHBondContact NE2-OG 3.09Å; H118-S252 VanDerWaalsContact NE2-OG 3.13Å; V122-S252 WeakPolarHBondContact CG2-OG 3.49Å; F248-S252 PolarHBondContact O-N 2.68Å; S249-S252 PolarHBondContact O-N 2.03Å; S249-S252 PolarHBondContact O-OG 3.38Å; Y250-S252 PolarHBondContact O-N 3.06Å; S252-L254 PolarHBondContact O-N 2.8Å; S252-I255 WeakPolarHBondContact O-CB 3.32Å; S252-I255 PolarHBondContact O-N 2.61Å; S252-I256 PolarHBondContact O-N 3.01Å; S252-I256 VanDerWaalsContact O-N 3.17Å |
| 253 | L | 92.2 | Very high | 93.2 | Very high | 70 Ų | 70 | 58.4 Ų | 58.4 | 37% | 0.366 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.5 | -31.3 | 172.6 | -64.6 | 179.7 | 0 | 0 | 0 | 112.4 | V122 Y250 S251 I255 I256 L257 | V122-L253 HydrophobicContact CG1-CD2 4.45Å; Y250-L253 HydrophobicContact CD1-CD1 3.92Å; Y250-L253 VanDerWaalsContact O-CB 3.32Å; Y250-L253 WeakPolarHBondContact O-CB 3.32Å; Y250-L253 PolarHBondContact O-N 2.93Å; S251-L253 VanDerWaalsContact C-N 3.27Å; S251-L253 PolarHBondContact O-N 3Å; L253-I255 VanDerWaalsContact C-N 3.3Å; L253-I255 PolarHBondContact O-N 3.46Å; L253-I256 HydrophobicContact CD2-CD1 3.97Å; L253-I256 WeakPolarHBondContact O-CB 3.03Å; L253-I256 PolarHBondContact O-N 2.92Å; L253-L257 WeakPolarHBondContact O-CG 3.22Å; L253-L257 PolarHBondContact O-N 2.9Å |
| 254 | L | 92.9 | Very high | 93.3 | Very high | 100 Ų | 100 | 52 Ų | 52 | 52% | 0.524 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 173.9 | 178.7 | 61.3 | 0 | 0 | 0 | 111.3 | S251 S252 I256 L257 L258 | S251-L254 PolarHBondContact O-N 2.96Å; S252-L254 PolarHBondContact O-N 2.8Å; L254-I256 VanDerWaalsContact C-N 3.3Å; L254-I256 PolarHBondContact O-N 3.26Å; L254-L257 PolarHBondContact O-N 3.14Å; L254-L258 HydrophobicContact CG-CD1 4.38Å; L254-L258 WeakPolarHBondContact O-CG 3.4Å; L254-L258 PolarHBondContact O-N 2.98Å |
| 255 | I | 93.7 | Very high | 93.5 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 176.8 | -57.5 | -58.2 | 0 | 0 | 0 | 110.8 | I20 Y85 S252 L253 L258 G259 | I20-I255 HydrophobicContact CG2-CD1 3.79Å; Y85-I255 HydrophobicContact CD1-CG2 4.44Å; Y85-I255 HydrophobicContact CD2-CG2 4.19Å; Y85-I255 HydrophobicContact CE1-CG2 4.36Å; Y85-I255 HydrophobicContact CE2-CG2 4.1Å; Y85-I255 HydrophobicContact CG-CG2 4.36Å; S252-I255 WeakPolarHBondContact O-CB 3.32Å; S252-I255 PolarHBondContact O-N 2.61Å; L253-I255 VanDerWaalsContact C-N 3.3Å; L253-I255 PolarHBondContact O-N 3.46Å; I255-L258 HydrophobicContact CD1-CD1 4.47Å; I255-L258 PolarHBondContact O-N 3.2Å; I255-G259 PolarHBondContact O-N 2.96Å |
| 256 | I | 95.1 | Very high | 93.8 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 175 | -71.7 | 161.4 | 0 | 0 | 0 | 110.7 | L115 L119 V122 S252 L253 L254 G259 I260 | L115-I256 HydrophobicContact CD1-CB 4.18Å; L115-I256 HydrophobicContact CD1-CG1 4.07Å; L115-I256 HydrophobicContact CD1-CG2 4.06Å; L119-I256 HydrophobicContact CD2-CD1 3.88Å; L119-I256 HydrophobicContact CD2-CG1 4.44Å; L119-I256 HydrophobicContact CD2-CG2 3.89Å; L119-I256 HydrophobicContact CG-CD1 4.36Å; L119-I256 HydrophobicContact CG-CG2 4.36Å; V122-I256 HydrophobicContact CG2-CD1 4.37Å; S252-I256 PolarHBondContact O-N 3.01Å; S252-I256 VanDerWaalsContact O-N 3.17Å; L253-I256 HydrophobicContact CD2-CD1 3.97Å; L253-I256 WeakPolarHBondContact O-CB 3.03Å; L253-I256 PolarHBondContact O-N 2.92Å; L254-I256 VanDerWaalsContact C-N 3.3Å; L254-I256 PolarHBondContact O-N 3.26Å; I256-G259 WeakPolarHBondContact O-CA 3.17Å; I256-G259 PolarHBondContact O-N 3.33Å; I256-G259 VanDerWaalsContact O-N 3.1Å; I256-I260 HydrophobicContact CG2-CD1 4.2Å; I256-I260 WeakPolarHBondContact O-CG1 3.24Å; I256-I260 PolarHBondContact O-N 3.18Å |
| 257 | L | 95.7 | Very high | 94 | Very high | 107 Ų | 107 | 51.7 Ų | 51.7 | 56% | 0.56 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 177.4 | -70.2 | 172.6 | 0 | 0 | 0 | 112.2 | L253 L254 G259 I260 S261 | L253-L257 WeakPolarHBondContact O-CG 3.22Å; L253-L257 PolarHBondContact O-N 2.9Å; L254-L257 PolarHBondContact O-N 3.14Å; L257-G259 VanDerWaalsContact C-N 3.26Å; L257-G259 PolarHBondContact O-N 3.01Å; L257-I260 PolarHBondContact O-N 3.14Å; L257-S261 PolarHBondContact O-N 2.89Å; L257-S261 PolarHBondContact O-OG 3.09Å |
| 258 | L | 95.5 | Very high | 94.1 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 172.6 | -69.3 | 173.4 | 0 | 0 | 0 | 111.3 | L13 T17 I20 L254 I255 S261 M262 | L13-L258 HydrophobicContact CD2-CD2 4.47Å; T17-L258 HydrophobicContact CG2-CB 4.2Å; T17-L258 HydrophobicContact CG2-CD1 4.18Å; I20-L258 HydrophobicContact CD1-CD1 4.1Å; L254-L258 HydrophobicContact CG-CD1 4.38Å; L254-L258 WeakPolarHBondContact O-CG 3.4Å; L254-L258 PolarHBondContact O-N 2.98Å; I255-L258 HydrophobicContact CD1-CD1 4.47Å; I255-L258 PolarHBondContact O-N 3.2Å; L258-S261 WeakPolarHBondContact O-CB 3.25Å; L258-S261 PolarHBondContact O-N 3.48Å; L258-M262 WeakPolarHBondContact O-CE 3.17Å; L258-M262 WeakPolarHBondContact O-CG 3.36Å; L258-M262 PolarHBondContact O-N 2.89Å |
| 259 | G | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -50.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F111 I255 I256 L257 S261 M262 I263 | F111-G259 VanDerWaalsContact CE1-CA 3.41Å; I255-G259 PolarHBondContact O-N 2.96Å; I256-G259 WeakPolarHBondContact O-CA 3.17Å; I256-G259 PolarHBondContact O-N 3.33Å; I256-G259 VanDerWaalsContact O-N 3.1Å; L257-G259 VanDerWaalsContact C-N 3.26Å; L257-G259 PolarHBondContact O-N 3.01Å; G259-S261 VanDerWaalsContact C-N 3.3Å; G259-S261 PolarHBondContact O-N 2.79Å; G259-M262 PolarHBondContact O-N 3.01Å; G259-I263 WeakPolarHBondContact O-CG1 3.04Å; G259-I263 PolarHBondContact O-N 3.43Å |
| 260 | I | 96.3 | Very high | 94.5 | Very high | 90 Ų | 90 | 47 Ų | 47 | 46% | 0.462 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 176 | -64.9 | 167.6 | 0 | 0 | 0 | 110.3 | L115 I256 L257 M262 I263 A264 | L115-I260 HydrophobicContact CD2-CG1 3.89Å; I256-I260 HydrophobicContact CG2-CD1 4.2Å; I256-I260 WeakPolarHBondContact O-CG1 3.24Å; I256-I260 PolarHBondContact O-N 3.18Å; L257-I260 PolarHBondContact O-N 3.14Å; I260-M262 VanDerWaalsContact C-N 3.32Å; I260-M262 PolarHBondContact O-N 2.81Å; I260-I263 PolarHBondContact O-N 2.02Å; I260-A264 PolarHBondContact O-N 3.47Å |
| 261 | S | 95.9 | Very high | 94.6 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 37% | 0.371 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 178.4 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | L257 L258 G259 A264 C265 | L257-S261 PolarHBondContact O-N 2.89Å; L257-S261 PolarHBondContact O-OG 3.09Å; L258-S261 WeakPolarHBondContact O-CB 3.25Å; L258-S261 PolarHBondContact O-N 3.48Å; G259-S261 VanDerWaalsContact C-N 3.3Å; G259-S261 PolarHBondContact O-N 2.79Å; S261-A264 PolarHBondContact O-N 2.8Å; S261-C265 PolarHBondContact O-N 3.06Å; S261-C265 PolarHBondContact O-SG 3.06Å |
| 262 | M | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67 | -40 | 176.9 | -76.1 | -175.1 | -73 | 0 | 0 | 112.9 | L13 T17 F111 L258 G259 I260 C265 C266 | L13-M262 HydrophobicContact CB-CG 3.81Å; T17-M262 HydrophobicContact CG2-CE 3.64Å; F111-M262 HydrophobicContact CE1-CE 4.16Å; F111-M262 HydrophobicContact CE2-CE 3.69Å; F111-M262 HydrophobicContact CE2-SD 4.29Å; F111-M262 HydrophobicContact CZ-CE 3.25Å; F111-M262 HydrophobicContact CZ-SD 4.34Å; L258-M262 WeakPolarHBondContact O-CE 3.17Å; L258-M262 WeakPolarHBondContact O-CG 3.36Å; L258-M262 PolarHBondContact O-N 2.89Å; G259-M262 PolarHBondContact O-N 3.01Å; I260-M262 VanDerWaalsContact C-N 3.32Å; I260-M262 PolarHBondContact O-N 2.81Å; M262-C265 PolarHBondContact O-N 3.32Å; M262-C266 WeakPolarHBondContact O-CB 3.42Å; M262-C266 PolarHBondContact O-N 2.9Å |
| 263 | I | 95.9 | Very high | 94.6 | Very high | 25 Ų | 25 | 45 Ų | 45 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 174.4 | -67.2 | 168.4 | 0 | 0 | 0 | 109.9 | F111 L115 G259 I260 C265 C266 I267 | F111-I263 HydrophobicContact CD1-CD1 4.01Å; F111-I263 HydrophobicContact CD1-CG1 3.82Å; F111-I263 HydrophobicContact CE1-CG1 4.5Å; L115-I263 HydrophobicContact CD2-CD1 3.55Å; G259-I263 WeakPolarHBondContact O-CG1 3.04Å; G259-I263 PolarHBondContact O-N 3.43Å; I260-I263 PolarHBondContact O-N 2.02Å; I263-C265 VanDerWaalsContact C-N 3.34Å; I263-C265 PolarHBondContact O-N 2.8Å; I263-C266 WeakPolarHBondContact O-CA 3.31Å; I263-C266 VanDerWaalsContact O-CB 3.3Å; I263-C266 WeakPolarHBondContact O-CB 3.02Å; I263-C266 PolarHBondContact O-N 2.02Å; I263-I267 HydrophobicContact CG2-CD1 3.98Å; I263-I267 WeakPolarHBondContact O-CG1 3.23Å; I263-I267 PolarHBondContact O-N 2.87Å |
| 264 | A | 96.2 | Very high | 94.5 | Very high | 48 Ų | 48 | 48.9 Ų | 48.9 | 40% | 0.397 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | I260 S261 C266 I267 L268 | I260-A264 PolarHBondContact O-N 3.47Å; S261-A264 PolarHBondContact O-N 2.8Å; A264-C266 VanDerWaalsContact C-N 3.32Å; A264-C266 PolarHBondContact O-N 3.27Å; A264-I267 PolarHBondContact O-N 2.85Å; A264-L268 WeakPolarHBondContact O-CG 2.98Å; A264-L268 PolarHBondContact O-N 2.9Å; A264-L268 VanDerWaalsContact O-N 3.11Å |
| 265 | C | 95.3 | Very high | 94.4 | Very high | 19 Ų | 19 | 51 Ų | 51 | 13% | 0.128 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -38.4 | 173.8 | -74.8 | 0 | 0 | 0 | 0 | 112.5 | F10 L13 S261 M262 I263 L268 V269 | F10-C265 HydrophobicContact CB-CB 4.12Å; F10-C265 HydrophobicContact CD2-CB 3.93Å; L13-C265 HydrophobicContact CD1-CB 4.5Å; L13-C265 VanDerWaalsContact CD1-SG 3.59Å; S261-C265 PolarHBondContact O-N 3.06Å; S261-C265 PolarHBondContact O-SG 3.06Å; M262-C265 PolarHBondContact O-N 3.32Å; I263-C265 VanDerWaalsContact C-N 3.34Å; I263-C265 PolarHBondContact O-N 2.8Å; C265-L268 PolarHBondContact O-N 3.25Å; C265-V269 WeakPolarHBondContact O-CG2 3.49Å; C265-V269 PolarHBondContact O-N 3.36Å |
| 266 | C | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 177.2 | -165.5 | 0 | 0 | 0 | 0 | 111.7 | F10 Y107 M262 I263 A264 L268 V269 L270 | F10-C266 HydrophobicContact CD2-CB 4.43Å; F10-C266 HydrophobicContact CE2-CB 3.89Å; Y107-C266 HydrophobicContact CD1-CB 4.29Å; Y107-C266 HydrophobicContact CE1-CB 4.3Å; M262-C266 WeakPolarHBondContact O-CB 3.42Å; M262-C266 PolarHBondContact O-N 2.9Å; I263-C266 WeakPolarHBondContact O-CA 3.31Å; I263-C266 VanDerWaalsContact O-CB 3.3Å; I263-C266 WeakPolarHBondContact O-CB 3.02Å; I263-C266 PolarHBondContact O-N 2.02Å; A264-C266 VanDerWaalsContact C-N 3.32Å; A264-C266 PolarHBondContact O-N 3.27Å; C266-L268 VanDerWaalsContact C-N 3.31Å; C266-L268 PolarHBondContact O-N 3.25Å; C266-V269 PolarHBondContact O-N 2.73Å; C266-V269 VanDerWaalsContact O-N 3.15Å; C266-L270 PolarHBondContact O-N 3.45Å |
| 267 | I | 95.7 | Very high | 93.3 | Very high | 82 Ų | 82 | 61.7 Ų | 61.7 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 176.7 | -65.9 | 166.6 | 0 | 0 | 0 | 110.9 | E108 I263 A264 L270 K271 | E108-I267 WeakPolarHBondContact OE1-CG1 3.34Å; I263-I267 HydrophobicContact CG2-CD1 3.98Å; I263-I267 WeakPolarHBondContact O-CG1 3.23Å; I263-I267 PolarHBondContact O-N 2.87Å; A264-I267 PolarHBondContact O-N 2.85Å; I267-L270 WeakPolarHBondContact O-CB 3.48Å; I267-L270 PolarHBondContact O-N 3.15Å; I267-K271 PolarHBondContact O-N 3.45Å |
| 268 | L | 95 | Very high | 93.2 | Very high | 86 Ų | 86 | 59.4 Ų | 59.4 | 45% | 0.45 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 176.2 | -67.4 | 175.2 | 0 | 0 | 0 | 112.1 | V6 A264 C265 C266 K271 E272 | V6-L268 HydrophobicContact CG1-CB 3.52Å; V6-L268 HydrophobicContact CG1-CD1 4.39Å; A264-L268 WeakPolarHBondContact O-CG 2.98Å; A264-L268 PolarHBondContact O-N 2.9Å; A264-L268 VanDerWaalsContact O-N 3.11Å; C265-L268 PolarHBondContact O-N 3.25Å; C266-L268 VanDerWaalsContact C-N 3.31Å; C266-L268 PolarHBondContact O-N 3.25Å; L268-K271 WeakPolarHBondContact O-CB 3.32Å; L268-K271 PolarHBondContact O-N 3.14Å; L268-E272 PolarHBondContact O-N 3.35Å |
| 269 | V | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 174.5 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | V6 R7 F10 F104 C265 C266 E272 L273 | V6-V269 HydrophobicContact CG1-CG2 3.71Å; R7-V269 HydrophobicContact CG-CG1 4.27Å; R7-V269 HydrophobicContact CG-CG2 4.02Å; F10-V269 HydrophobicContact CB-CG2 4.27Å; F104-V269 HydrophobicContact CD1-CB 4.47Å; F104-V269 HydrophobicContact CD1-CG1 3.99Å; F104-V269 HydrophobicContact CE1-CB 4.27Å; F104-V269 HydrophobicContact CE1-CG1 3.56Å; F104-V269 HydrophobicContact CE2-CG1 4.26Å; F104-V269 HydrophobicContact CZ-CG1 3.71Å; C265-V269 WeakPolarHBondContact O-CG2 3.49Å; C265-V269 PolarHBondContact O-N 3.36Å; C266-V269 PolarHBondContact O-N 2.73Å; C266-V269 VanDerWaalsContact O-N 3.15Å; V269-E272 PolarHBondContact O-N 2.94Å; V269-L273 HydrophobicContact CG1-CD1 4.21Å; V269-L273 HydrophobicContact CG1-CG 4.5Å; V269-L273 WeakPolarHBondContact O-CG 2.99Å; V269-L273 PolarHBondContact O-N 2.78Å |
| 270 | L | 94.3 | Very high | 93 | Very high | 11 Ų | 11 | 64.3 Ų | 64.3 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58 | -51.7 | 173.5 | -77.9 | 167.6 | 0 | 0 | 0 | 109.7 | T101 F104 L105 E108 C266 I267 E272 L273 W274 | T101-L270 HydrophobicContact CG2-CD2 4.43Å; F104-L270 HydrophobicContact CB-CD1 4.43Å; F104-L270 HydrophobicContact CB-CD2 3.58Å; F104-L270 HydrophobicContact CB-CG 3.91Å; L105-L270 HydrophobicContact CD2-CD1 3.89Å; L105-L270 HydrophobicContact CD2-CD2 4.23Å; L105-L270 HydrophobicContact CG-CD2 4.15Å; E108-L270 VanDerWaalsContact OE2-CD1 3.25Å; E108-L270 WeakPolarHBondContact OE2-CD1 2.96Å; C266-L270 PolarHBondContact O-N 3.45Å; I267-L270 WeakPolarHBondContact O-CB 3.48Å; I267-L270 PolarHBondContact O-N 3.15Å; L270-E272 VanDerWaalsContact C-N 3.3Å; L270-E272 PolarHBondContact O-N 2.98Å; L270-L273 WeakPolarHBondContact O-CA 3.48Å; L270-L273 WeakPolarHBondContact O-CB 3.12Å; L270-L273 PolarHBondContact O-N 3.05Å; L270-W274 PolarHBondContact O-N 2.92Å |
| 271 | K | 93.9 | Very high | 92.8 | Very high | 126 Ų | 126 | 62.8 Ų | 62.8 | 55% | 0.548 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -52.7 | -46.2 | 178 | -175.9 | -179.7 | 176.8 | -178.9 | 0 | 112.6 | I267 L268 L273 W274 Q275 | I267-K271 PolarHBondContact O-N 3.45Å; L268-K271 WeakPolarHBondContact O-CB 3.32Å; L268-K271 PolarHBondContact O-N 3.14Å; K271-L273 VanDerWaalsContact C-N 3.32Å; K271-L273 PolarHBondContact O-N 2.85Å; K271-W274 PolarHBondContact O-N 3.15Å; K271-Q275 WeakPolarHBondContact O-CG 3.48Å; K271-Q275 PolarHBondContact O-N 3.15Å |
| 272 | E | 91.2 | Very high | 92.6 | Very high | 53 Ų | 53 | 63.4 Ų | 63.4 | 25% | 0.248 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 175.5 | -71.5 | -177.9 | 167.8 | 0 | 0 | 112.4 | T4 V6 L268 V269 L270 A276 | T4-E272 WeakPolarHBondContact CB-OE1 3.45Å; T4-E272 WeakPolarHBondContact CB-OE2 3.08Å; T4-E272 WeakPolarHBondContact CG2-OE2 3.26Å; T4-E272 PolarHBondContact OG1-OE1 2.88Å; T4-E272 PolarHBondContact OG1-OE2 2.93Å; V6-E272 VanDerWaalsContact CG2-OE1 3.24Å; V6-E272 WeakPolarHBondContact CG2-OE1 3.22Å; L268-E272 PolarHBondContact O-N 3.35Å; V269-E272 PolarHBondContact O-N 2.94Å; L270-E272 VanDerWaalsContact C-N 3.3Å; L270-E272 PolarHBondContact O-N 2.98Å; E272-A276 WeakPolarHBondContact O-CB 3.36Å; E272-A276 PolarHBondContact O-N 3.12Å |
| 273 | L | 90.2 | Very high | 92.4 | Very high | 15 Ų | 15 | 67.7 Ų | 67.7 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 178.9 | -77 | 175.7 | 0 | 0 | 0 | 112.8 | R99 T101 F104 V269 L270 K271 A276 L277 | R99-L273 HydrophobicContact CB-CD2 4.45Å; R99-L273 HydrophobicContact CG-CD2 3.57Å; R99-L273 WeakPolarHBondContact O-CD2 3.27Å; T101-L273 HydrophobicContact CG2-CB 3.7Å; T101-L273 HydrophobicContact CG2-CD1 3.9Å; T101-L273 HydrophobicContact CG2-CG 4.4Å; F104-L273 HydrophobicContact CD2-CD1 3.82Å; F104-L273 HydrophobicContact CE2-CD1 3.95Å; V269-L273 HydrophobicContact CG1-CD1 4.21Å; V269-L273 HydrophobicContact CG1-CG 4.5Å; V269-L273 WeakPolarHBondContact O-CG 2.99Å; V269-L273 PolarHBondContact O-N 2.78Å; L270-L273 WeakPolarHBondContact O-CA 3.48Å; L270-L273 WeakPolarHBondContact O-CB 3.12Å; L270-L273 PolarHBondContact O-N 3.05Å; K271-L273 VanDerWaalsContact C-N 3.32Å; K271-L273 PolarHBondContact O-N 2.85Å; L273-A276 PolarHBondContact O-N 3.38Å; L273-L277 PolarHBondContact O-N 3.26Å |
| 274 | W | 91.1 | Very high | 92.1 | Very high | 151 Ų | 151 | 70.7 Ų | 70.7 | 57% | 0.572 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.1 | -36.5 | 177.9 | -77.8 | 93.8 | 0 | 0 | 0 | 112.1 | L270 K271 A276 L277 | L270-W274 PolarHBondContact O-N 2.92Å; K271-W274 PolarHBondContact O-N 3.15Å; W274-A276 VanDerWaalsContact C-N 3.26Å; W274-A276 PolarHBondContact O-N 3.17Å; W274-L277 PolarHBondContact O-N 2.77Å |
| 275 | Q | 89.5 | Confident | 91.8 | Very high | 143 Ų | 143 | 72.5 Ų | 72.5 | 67% | 0.668 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -71.1 | -20.6 | 175.2 | -72.4 | -178.9 | -37.7 | 0 | 0 | 113.6 | K271 | K271-Q275 WeakPolarHBondContact O-CG 3.48Å; K271-Q275 PolarHBondContact O-N 3.15Å |
| 276 | A | 85.3 | Confident | 91.5 | Very high | 57 Ų | 57 | 76.9 Ų | 76.9 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 2.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R99 E272 L273 W274 | R99-A276 PolarHBondContact NH2-O 3.13Å; E272-A276 WeakPolarHBondContact O-CB 3.36Å; E272-A276 PolarHBondContact O-N 3.12Å; L273-A276 PolarHBondContact O-N 3.38Å; W274-A276 VanDerWaalsContact C-N 3.26Å; W274-A276 PolarHBondContact O-N 3.17Å |
| 277 | L | 82 | Confident | 91.2 | Very high | 199 Ų | 199 | 83.9 Ų | 83.9 | 100% | 1.042 | 41% | 0.414 | S | S | * | . | trans | -95.5 | 0 | 173.7 | -166.3 | 77.7 | 0 | 0 | 0 | 109.2 | L273 W274 | L273-L277 PolarHBondContact O-N 3.26Å; W274-L277 PolarHBondContact O-N 2.77Å |
Retrieved 277 of 277 residues in 407.5 ms
(Link to these results)