| 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 | 36.9 | Very low | 59.3 | Low | 141 Ų | 141 | 94.3 Ų | 94.3 | 70% | 0.695 | 52% | 0.516 | S | S | * | . | 0 | -37.6 | 0 | -77.6 | 170.6 | 166.4 | 0 | 0 | 114.3 | Y123 | M1-Y123 HydrophobicContact CE-CD1 3.71Å; M1-Y123 HydrophobicContact CE-CG 4.13Å; M1-Y123 WeakPolarHBondContact CE-O 3.48Å | |||
| 2 | C | 43 | Very low | 60.8 | Low | 143 Ų | 143 | 96.1 Ų | 96.1 | 97% | 0.966 | 52% | 0.52 | S | S | * | . | trans | -99.7 | 8.9 | -179.9 | -84.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 3 | N | 52.4 | Low | 62.3 | Low | 137 Ų | 137 | 94.5 Ų | 94.5 | 73% | 0.733 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -127.2 | 27 | 175 | -155.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 4 | Y | 56.7 | Low | 63.2 | Low | 78 Ų | 78 | 88.1 Ų | 88.1 | 31% | 0.306 | 48% | 0.476 | S | S | . | . | trans | -109 | 10.3 | -167.3 | -81.6 | -98.4 | 0 | 0 | 0 | 115 | S7 T8 W53 P56 | Y4-S7 PolarHBondContact O-N 2.84Å; Y4-T8 WeakPolarHBondContact CB-OG1 3.39Å; Y4-T8 PolarHBondContact O-N 3.22Å; Y4-T8 VanDerWaalsContact O-N 3.1Å; Y4-T8 PolarHBondContact O-OG1 2.88Å; Y4-W53 HydrophobicContact CE1-CB 4.36Å; Y4-P56 HydrophobicContact CE1-CG 3.9Å; Y4-P56 WeakPolarHBondContact OH-CG 3.32Å | ||
| 5 | G | 59.8 | Low | 64.3 | Low | 68 Ų | 68 | 82.6 Ų | 82.6 | 70% | 0.701 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | 38.9 | -139.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116 | S7 T8 | G5-S7 VanDerWaalsContact C-N 3.25Å; G5-S7 PolarHBondContact O-N 3.36Å; G5-T8 PolarHBondContact O-OG1 3.49Å |
| 6 | W | 61.2 | Low | 65.5 | Low | 221 Ų | 221 | 84.1 Ų | 84.1 | 84% | 0.837 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -70.8 | -18.7 | 176.7 | -144.7 | -106 | 0 | 0 | 0 | 113 | T8 I9 | W6-T8 VanDerWaalsContact C-N 3.3Å; W6-T8 PolarHBondContact O-N 2.78Å; W6-I9 HydrophobicContact CD2-CD1 3.99Å; W6-I9 HydrophobicContact CG-CD1 4.2Å; W6-I9 HydrophobicContact CZ2-CD1 4.31Å; W6-I9 WeakPolarHBondContact O-CB 3.46Å; W6-I9 PolarHBondContact O-N 2.86Å |
| 7 | S | 62.9 | Low | 66.2 | Low | 51 Ų | 51 | 81.2 Ų | 81.2 | 36% | 0.357 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -72.2 | -19.8 | -178.3 | -51.7 | 0 | 0 | 0 | 0 | 113.5 | Y4 G5 I9 H10 | Y4-S7 PolarHBondContact O-N 2.84Å; G5-S7 VanDerWaalsContact C-N 3.25Å; G5-S7 PolarHBondContact O-N 3.36Å; S7-I9 PolarHBondContact O-N 3.49Å; S7-H10 WeakPolarHBondContact O-CB 3.4Å; S7-H10 PolarHBondContact O-N 3.03Å |
| 8 | T | 65.9 | Low | 66.7 | Low | 49 Ų | 49 | 76.8 Ų | 76.8 | 30% | 0.301 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -54.6 | -34.1 | 169.4 | -50.8 | 0 | 0 | 0 | 0 | 111.6 | Y4 G5 W6 H10 S11 M12 | Y4-T8 WeakPolarHBondContact CB-OG1 3.39Å; Y4-T8 PolarHBondContact O-N 3.22Å; Y4-T8 VanDerWaalsContact O-N 3.1Å; Y4-T8 PolarHBondContact O-OG1 2.88Å; G5-T8 PolarHBondContact O-OG1 3.49Å; W6-T8 VanDerWaalsContact C-N 3.3Å; W6-T8 PolarHBondContact O-N 2.78Å; T8-H10 VanDerWaalsContact C-N 3.29Å; T8-H10 PolarHBondContact O-N 3.12Å; T8-S11 PolarHBondContact O-N 3.46Å; T8-M12 WeakPolarHBondContact O-CG 3.42Å; T8-M12 PolarHBondContact O-N 3.4Å |
| 9 | I | 71.5 | Confident | 67.5 | Low | 72 Ų | 72 | 75.1 Ų | 75.1 | 37% | 0.369 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 179.1 | -60.3 | 172.9 | 0 | 0 | 0 | 110.7 | W6 S7 S11 M12 I13 | W6-I9 HydrophobicContact CD2-CD1 3.99Å; W6-I9 HydrophobicContact CG-CD1 4.2Å; W6-I9 HydrophobicContact CZ2-CD1 4.31Å; W6-I9 WeakPolarHBondContact O-CB 3.46Å; W6-I9 PolarHBondContact O-N 2.86Å; S7-I9 PolarHBondContact O-N 3.49Å; I9-S11 VanDerWaalsContact C-N 3.32Å; I9-S11 PolarHBondContact O-N 3.31Å; I9-M12 PolarHBondContact O-N 2.9Å; I9-M12 VanDerWaalsContact O-N 3.15Å; I9-I13 HydrophobicContact CG2-CD1 3.77Å; I9-I13 HydrophobicContact CG2-CG1 4.21Å; I9-I13 VanDerWaalsContact O-CG1 3.28Å; I9-I13 WeakPolarHBondContact O-CG1 3.38Å; I9-I13 PolarHBondContact O-N 2.72Å |
| 10 | H | 69.9 | Low | 68 | Low | 55 Ų | 55 | 75 Ų | 75 | 26% | 0.255 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 176.6 | -170.8 | 80.1 | 0 | 0 | 0 | 111.3 | S7 T8 M12 I13 S14 N44 | S7-H10 WeakPolarHBondContact O-CB 3.4Å; S7-H10 PolarHBondContact O-N 3.03Å; T8-H10 VanDerWaalsContact C-N 3.29Å; T8-H10 PolarHBondContact O-N 3.12Å; H10-M12 PolarHBondContact O-N 2.88Å; H10-I13 PolarHBondContact O-N 3.38Å; H10-S14 PolarHBondContact O-N 3.06Å; H10-S14 PolarHBondContact O-OG 2.57Å; H10-N44 PolarHBondContact NE2-ND2 2.99Å |
| 11 | S | 71.9 | Confident | 68.1 | Low | 22 Ų | 22 | 73.4 Ų | 73.4 | 15% | 0.154 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.6 | -36 | 174.8 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | T8 I9 S14 V15 Y123 | T8-S11 PolarHBondContact O-N 3.46Å; I9-S11 VanDerWaalsContact C-N 3.32Å; I9-S11 PolarHBondContact O-N 3.31Å; S11-S14 WeakPolarHBondContact CA-OG 3.43Å; S11-S14 PolarHBondContact O-OG 3.03Å; S11-V15 VanDerWaalsContact O-CG2 3.29Å; S11-V15 WeakPolarHBondContact O-CG2 3.47Å; S11-V15 PolarHBondContact O-N 3.38Å; S11-V15 VanDerWaalsContact O-N 3.16Å; S11-Y123 VanDerWaalsContact C-OH 3.28Å; S11-Y123 PolarHBondContact O-OH 3.36Å |
| 12 | M | 77.5 | Confident | 69.8 | Low | 116 Ų | 116 | 67 Ų | 67 | 57% | 0.571 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67.2 | -41.5 | 174.5 | -66.6 | -173.4 | 79.6 | 0 | 0 | 111.6 | T8 I9 H10 V15 F16 Y123 | T8-M12 WeakPolarHBondContact O-CG 3.42Å; T8-M12 PolarHBondContact O-N 3.4Å; I9-M12 PolarHBondContact O-N 2.9Å; I9-M12 VanDerWaalsContact O-N 3.15Å; H10-M12 PolarHBondContact O-N 2.88Å; M12-V15 PolarHBondContact O-N 2.97Å; M12-F16 WeakPolarHBondContact O-CB 3.41Å; M12-F16 PolarHBondContact O-N 3.19Å; M12-Y123 PolarHBondContact N-OH 2.91Å |
| 13 | I | 80.5 | Confident | 71.3 | Confident | 76 Ų | 76 | 66 Ų | 66 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 176.6 | -68.3 | 167.2 | 0 | 0 | 0 | 110.2 | I9 H10 V15 F16 V17 | I9-I13 HydrophobicContact CG2-CD1 3.77Å; I9-I13 HydrophobicContact CG2-CG1 4.21Å; I9-I13 VanDerWaalsContact O-CG1 3.28Å; I9-I13 WeakPolarHBondContact O-CG1 3.38Å; I9-I13 PolarHBondContact O-N 2.72Å; H10-I13 PolarHBondContact O-N 3.38Å; I13-V15 VanDerWaalsContact C-N 3.35Å; I13-V15 PolarHBondContact O-N 3.03Å; I13-F16 PolarHBondContact O-N 3.42Å; I13-V17 HydrophobicContact CG2-CG2 4.28Å; I13-V17 WeakPolarHBondContact O-CG2 3.42Å; I13-V17 PolarHBondContact O-N 2.84Å |
| 14 | S | 75 | Confident | 72.1 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 179.5 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | H10 S11 V17 A18 | H10-S14 PolarHBondContact O-N 3.06Å; H10-S14 PolarHBondContact O-OG 2.57Å; S11-S14 WeakPolarHBondContact CA-OG 3.43Å; S11-S14 PolarHBondContact O-OG 3.03Å; S14-V17 PolarHBondContact O-N 2.96Å; S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.06Å |
| 15 | V | 78.8 | Confident | 72.3 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.036 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | S11 M12 I13 A18 Y19 L60 L64 V118 Y123 | S11-V15 VanDerWaalsContact O-CG2 3.29Å; S11-V15 WeakPolarHBondContact O-CG2 3.47Å; S11-V15 PolarHBondContact O-N 3.38Å; S11-V15 VanDerWaalsContact O-N 3.16Å; M12-V15 PolarHBondContact O-N 2.97Å; I13-V15 VanDerWaalsContact C-N 3.35Å; I13-V15 PolarHBondContact O-N 3.03Å; V15-A18 PolarHBondContact O-N 3.4Å; V15-Y19 PolarHBondContact O-N 3.36Å; V15-L60 HydrophobicContact CG2-CD2 4.26Å; V15-L64 HydrophobicContact CG2-CD1 4.37Å; V15-V118 HydrophobicContact CG1-CG1 4.17Å; V15-Y123 HydrophobicContact CG2-CE2 4.16Å |
| 16 | F | 83.3 | Confident | 72.1 | Confident | 106 Ų | 106 | 61.9 Ų | 61.9 | 47% | 0.465 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 178 | -175.4 | -105 | 0 | 0 | 0 | 112.3 | M12 I13 Y19 L20 L115 | M12-F16 WeakPolarHBondContact O-CB 3.41Å; M12-F16 PolarHBondContact O-N 3.19Å; I13-F16 PolarHBondContact O-N 3.42Å; F16-Y19 WeakPolarHBondContact O-CB 3.37Å; F16-Y19 PolarHBondContact O-N 2.93Å; F16-L20 HydrophobicContact CD1-CD1 4.07Å; F16-L20 HydrophobicContact CD1-CG 4.46Å; F16-L20 HydrophobicContact CE1-CD1 3.6Å; F16-L20 HydrophobicContact CE1-CG 4.13Å; F16-L20 HydrophobicContact CZ-CD1 4.16Å; F16-L20 HydrophobicContact CZ-CD2 4.42Å; F16-L20 HydrophobicContact CZ-CG 4.34Å; F16-L20 WeakPolarHBondContact O-CG 2.92Å; F16-L20 PolarHBondContact O-N 2.92Å; F16-L115 HydrophobicContact CD2-CD1 4.44Å |
| 17 | V | 77.6 | Confident | 71.9 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 21% | 0.212 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 175.7 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | I13 S14 Y19 L20 L21 Y36 | I13-V17 HydrophobicContact CG2-CG2 4.28Å; I13-V17 WeakPolarHBondContact O-CG2 3.42Å; I13-V17 PolarHBondContact O-N 2.84Å; S14-V17 PolarHBondContact O-N 2.96Å; V17-Y19 VanDerWaalsContact C-N 3.31Å; V17-Y19 PolarHBondContact O-N 3.39Å; V17-L20 PolarHBondContact O-N 3.47Å; V17-L21 HydrophobicContact CG1-CD1 4.13Å; V17-L21 HydrophobicContact CG1-CG 4.42Å; V17-L21 WeakPolarHBondContact O-CG 3.46Å; V17-L21 PolarHBondContact O-N 3.2Å; V17-Y36 HydrophobicContact CB-CD1 4.23Å; V17-Y36 HydrophobicContact CG1-CD1 3.9Å; V17-Y36 HydrophobicContact CG1-CG 3.93Å; V17-Y36 HydrophobicContact CG2-CD1 4.26Å; V17-Y36 HydrophobicContact CG2-CE1 4.37Å |
| 18 | A | 75.9 | Confident | 71.7 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | S14 V15 L21 C22 L64 | S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.06Å; V15-A18 PolarHBondContact O-N 3.4Å; A18-L21 PolarHBondContact O-N 3.11Å; A18-C22 PolarHBondContact O-N 3.22Å; A18-C22 PolarHBondContact O-SG 3.19Å; A18-C22 VanDerWaalsContact O-SG 3.37Å; A18-L64 HydrophobicContact CB-CB 4.47Å; A18-L64 HydrophobicContact CB-CD1 4Å; A18-L64 HydrophobicContact CB-CD2 4.02Å; A18-L64 HydrophobicContact CB-CG 4.39Å |
| 19 | Y | 81.1 | Confident | 71.2 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 173.3 | 172.2 | -102.7 | 0 | 0 | 0 | 112.6 | V15 F16 V17 L21 C22 K23 L115 V118 | V15-Y19 PolarHBondContact O-N 3.36Å; F16-Y19 WeakPolarHBondContact O-CB 3.37Å; F16-Y19 PolarHBondContact O-N 2.93Å; V17-Y19 VanDerWaalsContact C-N 3.31Å; V17-Y19 PolarHBondContact O-N 3.39Å; Y19-L21 VanDerWaalsContact C-N 3.28Å; Y19-L21 PolarHBondContact O-N 3.35Å; Y19-C22 PolarHBondContact O-N 3.31Å; Y19-K23 HydrophobicContact CE1-CD 4.41Å; Y19-K23 WeakPolarHBondContact O-CB 3.35Å; Y19-K23 PolarHBondContact O-N 3.5Å; Y19-L115 HydrophobicContact CD1-CB 4.2Å; Y19-L115 HydrophobicContact CD1-CD1 3.78Å; Y19-L115 HydrophobicContact CD1-CG 4.46Å; Y19-L115 HydrophobicContact CD2-CB 3.89Å; Y19-L115 HydrophobicContact CD2-CD1 4.09Å; Y19-L115 HydrophobicContact CE1-CB 4.12Å; Y19-L115 HydrophobicContact CE1-CD1 4.48Å; Y19-L115 HydrophobicContact CE2-CB 3.81Å; Y19-L115 HydrophobicContact CG-CB 4.09Å; Y19-L115 HydrophobicContact CG-CD1 3.54Å; Y19-L115 HydrophobicContact CG-CG 4.4Å; Y19-V118 HydrophobicContact CD2-CG2 4.29Å |
| 20 | L | 78.8 | Confident | 70.2 | Confident | 73 Ų | 73 | 58.8 Ų | 58.8 | 38% | 0.382 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 175.8 | -71.1 | -178.1 | 0 | 0 | 0 | 111.7 | F16 V17 K23 V24 | F16-L20 HydrophobicContact CD1-CD1 4.07Å; F16-L20 HydrophobicContact CD1-CG 4.46Å; F16-L20 HydrophobicContact CE1-CD1 3.6Å; F16-L20 HydrophobicContact CE1-CG 4.13Å; F16-L20 HydrophobicContact CZ-CD1 4.16Å; F16-L20 HydrophobicContact CZ-CD2 4.42Å; F16-L20 HydrophobicContact CZ-CG 4.34Å; F16-L20 WeakPolarHBondContact O-CG 2.92Å; F16-L20 PolarHBondContact O-N 2.92Å; V17-L20 PolarHBondContact O-N 3.47Å; L20-K23 WeakPolarHBondContact O-CB 3.4Å; L20-K23 PolarHBondContact O-N 2.76Å; L20-V24 WeakPolarHBondContact O-CB 3.36Å; L20-V24 WeakPolarHBondContact O-CG2 3.44Å; L20-V24 PolarHBondContact O-N 3.34Å |
| 21 | L | 70.3 | Confident | 69.3 | Low | 42 Ų | 42 | 57.4 Ų | 57.4 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66 | -46 | 175.9 | -70.1 | 171.7 | 0 | 0 | 0 | 111.9 | V17 A18 Y19 K23 V24 A25 | V17-L21 HydrophobicContact CG1-CD1 4.13Å; V17-L21 HydrophobicContact CG1-CG 4.42Å; V17-L21 WeakPolarHBondContact O-CG 3.46Å; V17-L21 PolarHBondContact O-N 3.2Å; A18-L21 PolarHBondContact O-N 3.11Å; Y19-L21 VanDerWaalsContact C-N 3.28Å; Y19-L21 PolarHBondContact O-N 3.35Å; L21-K23 PolarHBondContact O-N 3.46Å; L21-V24 PolarHBondContact O-N 3.48Å; L21-A25 WeakPolarHBondContact O-CB 3.28Å; L21-A25 PolarHBondContact O-N 2.9Å |
| 22 | C | 71.9 | Confident | 68.4 | Low | 7 Ų | 7 | 57.9 Ų | 57.9 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.8 | -35.7 | 171.6 | -69.9 | 0 | 0 | 0 | 0 | 111.3 | A18 Y19 K112 | A18-C22 PolarHBondContact O-N 3.22Å; A18-C22 PolarHBondContact O-SG 3.19Å; A18-C22 VanDerWaalsContact O-SG 3.37Å; Y19-C22 PolarHBondContact O-N 3.31Å; C22-K112 WeakPolarHBondContact O-CE 3.49Å; C22-K112 PolarHBondContact O-NZ 2.68Å |
| 23 | K | 73.6 | Confident | 67.2 | Low | 121 Ų | 121 | 57.2 Ų | 57.2 | 53% | 0.526 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -72.9 | -48.9 | 178.8 | -161.7 | 173.6 | -177.2 | 168 | 0 | 114 | Y19 L20 L21 K112 | Y19-K23 HydrophobicContact CE1-CD 4.41Å; Y19-K23 WeakPolarHBondContact O-CB 3.35Å; Y19-K23 PolarHBondContact O-N 3.5Å; L20-K23 WeakPolarHBondContact O-CB 3.4Å; L20-K23 PolarHBondContact O-N 2.76Å; L21-K23 PolarHBondContact O-N 3.46Å; K23-K112 HydrophobicContact CB-CD 4.48Å; K23-K112 HydrophobicContact CG-CD 4.44Å; K23-K112 PolarHBondContact O-NZ 3.49Å |
| 24 | V | 69.9 | Low | 65.9 | Low | 129 Ų | 129 | 60.4 Ų | 60.4 | 78% | 0.782 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -79.7 | -35.2 | -174.6 | 175.4 | 0 | 0 | 0 | 0 | 112 | L20 L21 | L20-V24 WeakPolarHBondContact O-CB 3.36Å; L20-V24 WeakPolarHBondContact O-CG2 3.44Å; L20-V24 PolarHBondContact O-N 3.34Å; L21-V24 PolarHBondContact O-N 3.48Å |
| 25 | A | 61.6 | Low | 64.8 | Low | 24 Ų | 24 | 60.6 Ų | 60.6 | 20% | 0.198 | 35% | 0.347 | C | S | . | . | trans | -119.1 | 21.4 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L21 G27 S28 S31 | L21-A25 WeakPolarHBondContact O-CB 3.28Å; L21-A25 PolarHBondContact O-N 2.9Å; A25-G27 PolarHBondContact O-N 2.83Å; A25-S28 PolarHBondContact O-N 3.26Å; A25-S31 WeakPolarHBondContact CB-OG 3.48Å | ||
| 26 | G | 55.5 | Low | 63.9 | Low | 45 Ų | 45 | 65.3 Ų | 65.3 | 46% | 0.464 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 36.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 27 | G | 56.1 | Low | 62.6 | Low | 61 Ų | 61 | 60.7 Ų | 60.7 | 63% | 0.629 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -163.9 | -2.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | A25 | A25-G27 PolarHBondContact O-N 2.83Š|
| 28 | S | 59.8 | Low | 61.9 | Low | 60 Ų | 60 | 62.2 Ų | 62.2 | 42% | 0.42 | 35% | 0.354 | S | S | . | . | trans | -116.4 | 119.8 | -179.9 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | A25 F30 S31 | A25-S28 PolarHBondContact O-N 3.26Å; S28-F30 PolarHBondContact O-N 3.07Å; S28-F30 PolarHBondContact OG-N 3.42Å; S28-S31 PolarHBondContact O-N 3.17Å; S28-S31 VanDerWaalsContact O-N 3.11Å | ||
| 29 | V | 54.7 | Low | 61.3 | Low | 78 Ų | 78 | 63.8 Ų | 63.8 | 47% | 0.473 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -31 | 173.3 | -71.5 | 0 | 0 | 0 | 0 | 113.2 | S31 V32 Y72 | V29-S31 VanDerWaalsContact C-N 3.27Å; V29-S31 PolarHBondContact O-N 3.13Å; V29-V32 PolarHBondContact O-N 3.41Å; V29-Y72 HydrophobicContact CG1-CE1 4.34Å; V29-Y72 HydrophobicContact CG1-CE2 3.9Å; V29-Y72 VanDerWaalsContact CG1-CZ 3.47Å; V29-Y72 WeakPolarHBondContact CG1-OH 3.37Å |
| 30 | F | 49.8 | Very low | 60.3 | Low | 128 Ų | 128 | 62 Ų | 62 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -71 | -25 | -173.8 | -139.1 | -103.6 | 0 | 0 | 0 | 112.1 | S28 V32 V33 F34 | S28-F30 PolarHBondContact O-N 3.07Å; S28-F30 PolarHBondContact OG-N 3.42Å; F30-V32 VanDerWaalsContact C-N 3.26Å; F30-V32 PolarHBondContact O-N 3.03Å; F30-V33 PolarHBondContact O-N 3.37Å; F30-F34 AromaticContact CD1-CD2 3.26Å; F30-F34 HydrophobicContact CD1-CD2 3.26Å; F30-F34 AromaticContact CD1-CE2 3.52Å; F30-F34 HydrophobicContact CD1-CE2 3.52Å; F30-F34 HydrophobicContact CD1-CG 4.09Å; F30-F34 HydrophobicContact CD1-CZ 4.47Å; F30-F34 HydrophobicContact CD2-CD2 4.42Å; F30-F34 HydrophobicContact CD2-CE2 4.15Å; F30-F34 HydrophobicContact CE1-CD1 4.47Å; F30-F34 AromaticContact CE1-CD2 3.2Å; F30-F34 HydrophobicContact CE1-CD2 3.2Å; F30-F34 HydrophobicContact CE1-CE1 4.29Å; F30-F34 AromaticContact CE1-CE2 2.98Å; F30-F34 HydrophobicContact CE1-CE2 2.98Å; F30-F34 AromaticContact CE1-CG 3.98Å; F30-F34 HydrophobicContact CE1-CG 3.98Å; F30-F34 AromaticContact CE1-CZ 3.58Å; F30-F34 HydrophobicContact CE1-CZ 3.58Å; F30-F34 HydrophobicContact CE2-CD2 4.36Å; F30-F34 AromaticContact CE2-CE2 3.68Å; F30-F34 HydrophobicContact CE2-CE2 3.68Å; F30-F34 HydrophobicContact CE2-CZ 4.46Å; F30-F34 AromaticContact CG-CD2 3.93Å; F30-F34 HydrophobicContact CG-CD2 3.93Å; F30-F34 HydrophobicContact CG-CE2 4.08Å; F30-F34 AromaticContact CZ-CD2 3.8Å; F30-F34 HydrophobicContact CZ-CD2 3.8Å; F30-F34 AromaticContact CZ-CE2 3.08Å; F30-F34 HydrophobicContact CZ-CE2 3.08Å; F30-F34 AromaticContact CZ-CZ 3.58Å; F30-F34 HydrophobicContact CZ-CZ 3.58Å; F30-F34 WeakPolarHBondContact O-CD2 3.31Å; F30-F34 PolarHBondContact O-N 2.83Å |
| 31 | S | 51.2 | Low | 59.5 | Low | 27 Ų | 27 | 64.6 Ų | 64.6 | 19% | 0.189 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.2 | -21.8 | -179.4 | -170.7 | 0 | 0 | 0 | 0 | 113.4 | A25 S28 V29 | A25-S31 WeakPolarHBondContact CB-OG 3.48Å; S28-S31 PolarHBondContact O-N 3.17Å; S28-S31 VanDerWaalsContact O-N 3.11Å; V29-S31 VanDerWaalsContact C-N 3.27Å; V29-S31 PolarHBondContact O-N 3.13Å |
| 32 | V | 52.8 | Low | 59.1 | Low | 32 Ų | 32 | 68 Ų | 68 | 19% | 0.194 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -74.9 | -44.9 | 178 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | V29 F30 S35 I68 L69 | V29-V32 PolarHBondContact O-N 3.41Å; F30-V32 VanDerWaalsContact C-N 3.26Å; F30-V32 PolarHBondContact O-N 3.03Å; V32-S35 PolarHBondContact O-OG 2.87Å; V32-I68 HydrophobicContact CG2-CG2 3.92Å; V32-L69 HydrophobicContact CG1-CD2 3.9Å; V32-L69 HydrophobicContact CG1-CG 4.42Å; V32-L69 HydrophobicContact CG2-CD2 4.42Å |
| 33 | V | 53 | Low | 58.6 | Low | 102 Ų | 102 | 75.8 Ų | 75.8 | 62% | 0.618 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -74 | -34 | -174.8 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | F30 | F30-V33 PolarHBondContact O-N 3.37Å |
| 34 | F | 53.1 | Low | 58 | Low | 142 Ų | 142 | 71.6 Ų | 71.6 | 62% | 0.623 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 14.8 | -175.8 | -72 | -88.8 | 0 | 0 | 0 | 114.4 | F30 | F30-F34 AromaticContact CD1-CD2 3.26Å; F30-F34 HydrophobicContact CD1-CD2 3.26Å; F30-F34 AromaticContact CD1-CE2 3.52Å; F30-F34 HydrophobicContact CD1-CE2 3.52Å; F30-F34 HydrophobicContact CD1-CG 4.09Å; F30-F34 HydrophobicContact CD1-CZ 4.47Å; F30-F34 HydrophobicContact CD2-CD2 4.42Å; F30-F34 HydrophobicContact CD2-CE2 4.15Å; F30-F34 HydrophobicContact CE1-CD1 4.47Å; F30-F34 AromaticContact CE1-CD2 3.2Å; F30-F34 HydrophobicContact CE1-CD2 3.2Å; F30-F34 HydrophobicContact CE1-CE1 4.29Å; F30-F34 AromaticContact CE1-CE2 2.98Å; F30-F34 HydrophobicContact CE1-CE2 2.98Å; F30-F34 AromaticContact CE1-CG 3.98Å; F30-F34 HydrophobicContact CE1-CG 3.98Å; F30-F34 AromaticContact CE1-CZ 3.58Å; F30-F34 HydrophobicContact CE1-CZ 3.58Å; F30-F34 HydrophobicContact CE2-CD2 4.36Å; F30-F34 AromaticContact CE2-CE2 3.68Å; F30-F34 HydrophobicContact CE2-CE2 3.68Å; F30-F34 HydrophobicContact CE2-CZ 4.46Å; F30-F34 AromaticContact CG-CD2 3.93Å; F30-F34 HydrophobicContact CG-CD2 3.93Å; F30-F34 HydrophobicContact CG-CE2 4.08Å; F30-F34 AromaticContact CZ-CD2 3.8Å; F30-F34 HydrophobicContact CZ-CD2 3.8Å; F30-F34 AromaticContact CZ-CE2 3.08Å; F30-F34 HydrophobicContact CZ-CE2 3.08Å; F30-F34 AromaticContact CZ-CZ 3.58Å; F30-F34 HydrophobicContact CZ-CZ 3.58Å; F30-F34 WeakPolarHBondContact O-CD2 3.31Å; F30-F34 PolarHBondContact O-N 2.83Å |
| 35 | S | 52.4 | Low | 57.3 | Low | 9 Ų | 9 | 71.9 Ų | 71.9 | 6% | 0.063 | 39% | 0.39 | C | S | . | . | trans | -63.9 | 149.2 | -175.2 | 65.3 | 0 | 0 | 0 | 0 | 112.7 | V32 L37 V38 | V32-S35 PolarHBondContact O-OG 2.87Å; S35-L37 PolarHBondContact O-N 2.83Å; S35-V38 PolarHBondContact O-N 3.2Å | ||
| 36 | Y | 59.2 | Low | 57.1 | Low | 105 Ų | 105 | 75.5 Ų | 75.5 | 41% | 0.412 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -48.3 | -15.7 | 171.6 | -177.8 | -100 | 0 | 0 | 0 | 113.7 | V17 A39 G40 | V17-Y36 HydrophobicContact CB-CD1 4.23Å; V17-Y36 HydrophobicContact CG1-CD1 3.9Å; V17-Y36 HydrophobicContact CG1-CG 3.93Å; V17-Y36 HydrophobicContact CG2-CD1 4.26Å; V17-Y36 HydrophobicContact CG2-CE1 4.37Å; Y36-A39 PolarHBondContact O-N 2.78Å; Y36-G40 PolarHBondContact O-N 2.97Å |
| 37 | L | 56.6 | Low | 57.1 | Low | 9 Ų | 9 | 80.2 Ų | 80.2 | 5% | 0.047 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -70.5 | -39 | 177.4 | -59.5 | 174.2 | 0 | 0 | 0 | 113 | S35 G40 Y41 T61 L64 I65 I68 | S35-L37 PolarHBondContact O-N 2.83Å; L37-G40 PolarHBondContact O-N 3.39Å; L37-Y41 PolarHBondContact O-N 3.17Å; L37-T61 HydrophobicContact CB-CG2 3.93Å; L37-T61 HydrophobicContact CD1-CG2 4.45Å; L37-T61 HydrophobicContact CD2-CG2 4.15Å; L37-T61 HydrophobicContact CG-CG2 4.39Å; L37-L64 HydrophobicContact CD1-CB 4.43Å; L37-I65 HydrophobicContact CD1-CG1 3.87Å; L37-I68 HydrophobicContact CD1-CD1 4.36Å |
| 38 | V | 63.4 | Low | 57.1 | Low | 66 Ų | 66 | 83.3 Ų | 83.3 | 40% | 0.4 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.7 | -41.5 | 172 | 176.4 | 0 | 0 | 0 | 0 | 109.7 | S35 G40 Y41 H42 | S35-V38 PolarHBondContact O-N 3.2Å; V38-G40 PolarHBondContact O-N 2.94Å; V38-Y41 WeakPolarHBondContact O-CB 3.45Å; V38-Y41 PolarHBondContact O-N 2.72Å; V38-H42 WeakPolarHBondContact CG1-NE2 3.48Å; V38-H42 PolarHBondContact O-CD2 3.1Å; V38-H42 PolarHBondContact O-N 2.84Å |
| 39 | A | 62.2 | Low | 56.7 | Low | 35 Ų | 35 | 88.7 Ų | 88.7 | 29% | 0.289 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y36 Y41 H42 Y43 | Y36-A39 PolarHBondContact O-N 2.78Å; A39-Y41 VanDerWaalsContact C-N 3.35Å; A39-Y41 PolarHBondContact O-N 2.86Å; A39-H42 PolarHBondContact O-N 3.35Å; A39-Y43 HydrophobicContact CB-CD2 4.38Å; A39-Y43 HydrophobicContact CB-CE2 4.17Å; A39-Y43 WeakPolarHBondContact O-CD2 3.38Å; A39-Y43 PolarHBondContact O-N 3.42Å |
| 40 | G | 60.1 | Low | 56.6 | Low | 7 Ų | 7 | 88.3 Ų | 88.3 | 7% | 0.072 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.5 | -38 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y36 L37 V38 N44 | Y36-G40 PolarHBondContact O-N 2.97Å; L37-G40 PolarHBondContact O-N 3.39Å; V38-G40 PolarHBondContact O-N 2.94Å; G40-N44 WeakPolarHBondContact O-CB 3.13Å; G40-N44 PolarHBondContact O-N 3.42Å; G40-N44 PolarHBondContact O-ND2 3.05Å |
| 41 | Y | 62.6 | Low | 57.1 | Low | 127 Ų | 127 | 87.1 Ų | 87.1 | 50% | 0.498 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 171.5 | 177.9 | -96.4 | 0 | 0 | 0 | 111.6 | L37 V38 A39 Y43 N44 M45 | L37-Y41 PolarHBondContact O-N 3.17Å; V38-Y41 WeakPolarHBondContact O-CB 3.45Å; V38-Y41 PolarHBondContact O-N 2.72Å; A39-Y41 VanDerWaalsContact C-N 3.35Å; A39-Y41 PolarHBondContact O-N 2.86Å; Y41-Y43 PolarHBondContact O-N 3.42Å; Y41-N44 PolarHBondContact O-N 3.25Å; Y41-M45 HydrophobicContact CE1-SD 4.01Å; Y41-M45 WeakPolarHBondContact O-CB 3.34Å; Y41-M45 PolarHBondContact O-N 3.18Å |
| 42 | H | 62.1 | Low | 57.5 | Low | 115 Ų | 115 | 89.1 Ų | 89.1 | 53% | 0.532 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 177.6 | -74.1 | -61.6 | 0 | 0 | 0 | 113 | V38 A39 | V38-H42 WeakPolarHBondContact CG1-NE2 3.48Å; V38-H42 PolarHBondContact O-CD2 3.1Å; V38-H42 PolarHBondContact O-N 2.84Å; A39-H42 PolarHBondContact O-N 3.35Å |
| 43 | Y | 61.2 | Low | 57.8 | Low | 170 Ų | 170 | 90.9 Ų | 90.9 | 67% | 0.667 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.9 | -44.1 | 176.7 | -73.7 | -62.9 | 0 | 0 | 0 | 111.8 | A39 Y41 M45 S46 | A39-Y43 HydrophobicContact CB-CD2 4.38Å; A39-Y43 HydrophobicContact CB-CE2 4.17Å; A39-Y43 WeakPolarHBondContact O-CD2 3.38Å; A39-Y43 PolarHBondContact O-N 3.42Å; Y41-Y43 PolarHBondContact O-N 3.42Å; Y43-M45 VanDerWaalsContact C-N 3.32Å; Y43-M45 PolarHBondContact O-N 2.94Å; Y43-S46 PolarHBondContact O-N 3.25Å |
| 44 | N | 59.8 | Low | 58.4 | Low | 32 Ų | 32 | 86.9 Ų | 86.9 | 17% | 0.171 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -73.7 | -20.9 | 180 | -75.6 | -59.4 | 0 | 0 | 0 | 113.6 | H10 G40 Y41 S46 W53 | H10-N44 PolarHBondContact NE2-ND2 2.99Å; G40-N44 WeakPolarHBondContact O-CB 3.13Å; G40-N44 PolarHBondContact O-N 3.42Å; G40-N44 PolarHBondContact O-ND2 3.05Å; Y41-N44 PolarHBondContact O-N 3.25Å; N44-S46 PolarHBondContact O-N 3.47Å; N44-W53 WeakPolarHBondContact OD1-CH2 3.45Å |
| 45 | M | 55.6 | Low | 59.4 | Low | 136 Ų | 136 | 83.1 Ų | 83.1 | 67% | 0.67 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.3 | 174.7 | -168.6 | 163.4 | -174.5 | 0 | 0 | 112.8 | Y41 Y43 | Y41-M45 HydrophobicContact CE1-SD 4.01Å; Y41-M45 WeakPolarHBondContact O-CB 3.34Å; Y41-M45 PolarHBondContact O-N 3.18Å; Y43-M45 VanDerWaalsContact C-N 3.32Å; Y43-M45 PolarHBondContact O-N 2.94Å |
| 46 | S | 58.3 | Low | 60.3 | Low | 100 Ų | 100 | 84.2 Ų | 84.2 | 70% | 0.699 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -87.8 | -24.7 | -175.2 | -58.5 | 0 | 0 | 0 | 0 | 114 | Y43 N44 | Y43-S46 PolarHBondContact O-N 3.25Å; N44-S46 PolarHBondContact O-N 3.47Å |
| 47 | E | 56.1 | Low | 61 | Low | 143 Ų | 143 | 79.8 Ų | 79.8 | 67% | 0.668 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -90.7 | 142.3 | 179.5 | -62.1 | -73.2 | 155 | 0 | 0 | 109 | Y49 | E47-Y49 PolarHBondContact O-N 3.13Š|
| 48 | T | 54.8 | Low | 61.9 | Low | 127 Ų | 127 | 81.3 Ų | 81.3 | 78% | 0.779 | 42% | 0.416 | S | S | * | . | trans | -34.1 | 122.4 | -177.2 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | D50 | T48-D50 VanDerWaalsContact C-N 3.28Å; T48-D50 PolarHBondContact O-N 3.02Å | ||
| 49 | Y | 51.6 | Low | 62.6 | Low | 172 Ų | 172 | 80 Ų | 80 | 68% | 0.675 | 41% | 0.408 | S | S | * | . | trans | -59.2 | 83.9 | -178.7 | -170.8 | -100.5 | 0 | 0 | 0 | 111.4 | E47 L51 | E47-Y49 PolarHBondContact O-N 3.13Å; Y49-L51 HydrophobicContact CD1-CD1 4.43Å; Y49-L51 HydrophobicContact CD1-CD2 4.3Å; Y49-L51 HydrophobicContact CD1-CG 3.89Å; Y49-L51 HydrophobicContact CE1-CD1 4.07Å; Y49-L51 HydrophobicContact CE1-CD2 3.37Å; Y49-L51 HydrophobicContact CE1-CG 3.45Å; Y49-L51 VanDerWaalsContact CE1-CG 3.45Å | ||
| 50 | D | 53.1 | Low | 63.4 | Low | 70 Ų | 70 | 79 Ų | 79 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | trans | -88.9 | 105.8 | 169.6 | -169.8 | -12.2 | 0 | 0 | 0 | 107.9 | T48 S52 T54 | T48-D50 VanDerWaalsContact C-N 3.28Å; T48-D50 PolarHBondContact O-N 3.02Å; D50-S52 PolarHBondContact O-N 3.34Å; D50-S52 VanDerWaalsContact O-N 3.11Å; D50-S52 VanDerWaalsContact OD1-CB 3.31Å; D50-S52 WeakPolarHBondContact OD1-CB 3.35Å; D50-S52 PolarHBondContact OD1-N 3.02Å; D50-S52 VanDerWaalsContact OD1-N 3.1Å; D50-S52 PolarHBondContact OD1-OG 2.88Å; D50-T54 PolarHBondContact O-OG1 3.24Å | ||
| 51 | L | 59.6 | Low | 64.3 | Low | 103 Ų | 103 | 79.5 Ų | 79.5 | 54% | 0.539 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.8 | -19.7 | 179.2 | -82 | 155.7 | 0 | 0 | 0 | 113 | Y49 M55 | Y49-L51 HydrophobicContact CD1-CD1 4.43Å; Y49-L51 HydrophobicContact CD1-CD2 4.3Å; Y49-L51 HydrophobicContact CD1-CG 3.89Å; Y49-L51 HydrophobicContact CE1-CD1 4.07Å; Y49-L51 HydrophobicContact CE1-CD2 3.37Å; Y49-L51 HydrophobicContact CE1-CG 3.45Å; Y49-L51 VanDerWaalsContact CE1-CG 3.45Å; L51-M55 VanDerWaalsContact O-CG 3.3Å; L51-M55 WeakPolarHBondContact O-CG 3.46Å |
| 52 | S | 59.4 | Low | 65 | Low | 69 Ų | 69 | 79.4 Ų | 79.4 | 48% | 0.483 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -74.5 | -40 | -167.7 | -45.6 | 0 | 0 | 0 | 0 | 113.6 | D50 | D50-S52 PolarHBondContact O-N 3.34Å; D50-S52 VanDerWaalsContact O-N 3.11Å; D50-S52 VanDerWaalsContact OD1-CB 3.31Å; D50-S52 WeakPolarHBondContact OD1-CB 3.35Å; D50-S52 PolarHBondContact OD1-N 3.02Å; D50-S52 VanDerWaalsContact OD1-N 3.1Å; D50-S52 PolarHBondContact OD1-OG 2.88Å |
| 53 | W | 58.8 | Low | 65.9 | Low | 70 Ų | 70 | 77.1 Ų | 77.1 | 27% | 0.265 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -120.7 | -20.8 | -170.2 | 71 | -92.3 | 0 | 0 | 0 | 114.5 | Y4 N44 M55 P56 | Y4-W53 HydrophobicContact CE1-CB 4.36Å; N44-W53 WeakPolarHBondContact OD1-CH2 3.45Å; W53-M55 VanDerWaalsContact C-N 3.35Å; W53-P56 VanDerWaalsContact O-CD 3.25Å; W53-P56 WeakPolarHBondContact O-CD 3.46Å; W53-P56 WeakPolarHBondContact O-CG 3.37Å |
| 54 | T | 67.1 | Low | 67 | Low | 17 Ų | 17 | 69.1 Ų | 69.1 | 10% | 0.104 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.6 | -33.4 | 178.1 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | D50 Q57 C58 | D50-T54 PolarHBondContact O-OG1 3.24Å; T54-Q57 WeakPolarHBondContact O-CB 3.49Å; T54-Q57 PolarHBondContact O-N 3.35Å; T54-C58 PolarHBondContact O-N 3.05Å; T54-C58 PolarHBondContact O-SG 3.44Å |
| 55 | M | 72.7 | Confident | 67.9 | Low | 64 Ų | 64 | 70.2 Ų | 70.2 | 32% | 0.315 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.6 | -53.3 | 177.9 | -68.1 | -63.7 | 99 | 0 | 0 | 114 | L51 W53 Q57 C58 V59 | L51-M55 VanDerWaalsContact O-CG 3.3Å; L51-M55 WeakPolarHBondContact O-CG 3.46Å; W53-M55 VanDerWaalsContact C-N 3.35Å; M55-Q57 VanDerWaalsContact C-N 3.3Å; M55-Q57 PolarHBondContact O-N 3.04Å; M55-C58 WeakPolarHBondContact O-CB 3.35Å; M55-C58 PolarHBondContact O-N 3.3Å; M55-V59 WeakPolarHBondContact O-CG2 3.48Å; M55-V59 PolarHBondContact O-N 2.88Å |
| 56 | P | 71.4 | Confident | 69.2 | Low | 31 Ų | 31 | 64.9 Ų | 64.9 | 20% | 0.201 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.6 | -31.2 | 176.3 | 26.3 | -36.5 | 0 | 0 | 0 | 112.5 | Y4 W53 V59 L60 | Y4-P56 HydrophobicContact CE1-CG 3.9Å; Y4-P56 WeakPolarHBondContact OH-CG 3.32Å; W53-P56 VanDerWaalsContact O-CD 3.25Å; W53-P56 WeakPolarHBondContact O-CD 3.46Å; W53-P56 WeakPolarHBondContact O-CG 3.37Å; P56-V59 PolarHBondContact O-N 3.47Å; P56-L60 VanDerWaalsContact O-CB 3.24Å; P56-L60 WeakPolarHBondContact O-CB 3.35Å; P56-L60 PolarHBondContact O-N 3.47Å |
| 57 | Q | 74.6 | Confident | 70.4 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 174 | -173.7 | -84.4 | -27.1 | 0 | 0 | 111.6 | T54 M55 T61 | T54-Q57 WeakPolarHBondContact O-CB 3.49Å; T54-Q57 PolarHBondContact O-N 3.35Å; M55-Q57 VanDerWaalsContact C-N 3.3Å; M55-Q57 PolarHBondContact O-N 3.04Å; Q57-T61 PolarHBondContact NE2-OG1 3.37Å; Q57-T61 WeakPolarHBondContact O-CB 2.97Å; Q57-T61 PolarHBondContact O-N 2.91Å; Q57-T61 PolarHBondContact O-OG1 3.42Å |
| 58 | C | 75.4 | Confident | 71.5 | Confident | 40 Ų | 40 | 54.9 Ų | 54.9 | 27% | 0.27 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 173.8 | -67 | 0 | 0 | 0 | 0 | 111.7 | T54 M55 L60 T61 L62 | T54-C58 PolarHBondContact O-N 3.05Å; T54-C58 PolarHBondContact O-SG 3.44Å; M55-C58 WeakPolarHBondContact O-CB 3.35Å; M55-C58 PolarHBondContact O-N 3.3Å; C58-L60 VanDerWaalsContact C-N 3.34Å; C58-L60 PolarHBondContact O-N 3.44Å; C58-T61 WeakPolarHBondContact O-CB 3.48Å; C58-T61 PolarHBondContact O-N 2.77Å; C58-T61 VanDerWaalsContact O-N 3.12Å; C58-L62 PolarHBondContact O-N 2.91Å |
| 59 | V | 78.7 | Confident | 72.6 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 178.4 | 174.6 | 0 | 0 | 0 | 0 | 111 | M55 P56 T61 L62 R63 V130 | M55-V59 WeakPolarHBondContact O-CG2 3.48Å; M55-V59 PolarHBondContact O-N 2.88Å; P56-V59 PolarHBondContact O-N 3.47Å; V59-T61 VanDerWaalsContact C-N 3.25Å; V59-T61 PolarHBondContact O-N 2.94Å; V59-L62 PolarHBondContact O-N 3.4Å; V59-R63 WeakPolarHBondContact O-CB 3.41Å; V59-R63 PolarHBondContact O-N 3.28Å; V59-V130 HydrophobicContact CG1-CB 3.99Å; V59-V130 HydrophobicContact CG1-CG1 4.27Å; V59-V130 HydrophobicContact CG1-CG2 4.25Å; V59-V130 HydrophobicContact CG2-CB 4.2Å; V59-V130 HydrophobicContact CG2-CG1 4.04Å |
| 60 | L | 79.7 | Confident | 74.2 | Confident | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.079 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.6 | -40.9 | 174.6 | 177.3 | 61.6 | 0 | 0 | 0 | 111.1 | V15 P56 C58 R63 L64 | V15-L60 HydrophobicContact CG2-CD2 4.26Å; P56-L60 VanDerWaalsContact O-CB 3.24Å; P56-L60 WeakPolarHBondContact O-CB 3.35Å; P56-L60 PolarHBondContact O-N 3.47Å; C58-L60 VanDerWaalsContact C-N 3.34Å; C58-L60 PolarHBondContact O-N 3.44Å; L60-R63 PolarHBondContact O-N 3.39Å; L60-L64 HydrophobicContact CD1-CD1 4.35Å; L60-L64 HydrophobicContact CD1-CG 4.38Å; L60-L64 HydrophobicContact CG-CD1 4.21Å; L60-L64 WeakPolarHBondContact O-CG 3.49Å; L60-L64 PolarHBondContact O-N 3.32Å |
| 61 | T | 77.1 | Confident | 75.5 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.6 | -48.4 | 178.3 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | L37 Q57 C58 V59 R63 L64 I65 | L37-T61 HydrophobicContact CB-CG2 3.93Å; L37-T61 HydrophobicContact CD1-CG2 4.45Å; L37-T61 HydrophobicContact CD2-CG2 4.15Å; L37-T61 HydrophobicContact CG-CG2 4.39Å; Q57-T61 PolarHBondContact NE2-OG1 3.37Å; Q57-T61 WeakPolarHBondContact O-CB 2.97Å; Q57-T61 PolarHBondContact O-N 2.91Å; Q57-T61 PolarHBondContact O-OG1 3.42Å; C58-T61 WeakPolarHBondContact O-CB 3.48Å; C58-T61 PolarHBondContact O-N 2.77Å; C58-T61 VanDerWaalsContact O-N 3.12Å; V59-T61 VanDerWaalsContact C-N 3.25Å; V59-T61 PolarHBondContact O-N 2.94Å; T61-R63 VanDerWaalsContact C-N 3.25Å; T61-R63 PolarHBondContact O-N 2.93Å; T61-L64 PolarHBondContact O-N 2.92Å; T61-I65 HydrophobicContact CG2-CD1 4.11Å; T61-I65 WeakPolarHBondContact O-CG1 3.25Å; T61-I65 PolarHBondContact O-N 2.95Å |
| 62 | L | 77.7 | Confident | 76.4 | Confident | 125 Ų | 125 | 40.1 Ų | 40.1 | 65% | 0.654 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -58.8 | -39.2 | 176.5 | -68.5 | 175.9 | 0 | 0 | 0 | 112 | C58 V59 I65 G66 | C58-L62 PolarHBondContact O-N 2.91Å; V59-L62 PolarHBondContact O-N 3.4Å; L62-I65 PolarHBondContact O-N 3.3Å; L62-G66 PolarHBondContact O-N 3.29Å |
| 63 | R | 82.5 | Confident | 77.1 | Confident | 67 Ų | 67 | 39.4 Ų | 39.4 | 25% | 0.253 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67 | -40.9 | 178.3 | -177.5 | 166.3 | -168.3 | 159.8 | 9.1 | 112.5 | V59 L60 T61 I65 G66 L67 Y121 S127 | V59-R63 WeakPolarHBondContact O-CB 3.41Å; V59-R63 PolarHBondContact O-N 3.28Å; L60-R63 PolarHBondContact O-N 3.39Å; T61-R63 VanDerWaalsContact C-N 3.25Å; T61-R63 PolarHBondContact O-N 2.93Å; R63-I65 VanDerWaalsContact C-N 3.33Å; R63-G66 PolarHBondContact O-N 3.34Å; R63-L67 PolarHBondContact O-N 3.45Å; R63-Y121 HydrophobicContact CG-CD1 4.08Å; R63-Y121 HydrophobicContact CG-CE1 3.27Å; R63-Y121 VanDerWaalsContact NE-CE1 3.29Å; R63-Y121 PolarHBondContact NE-O 3.19Å; R63-S127 PolarHBondContact NH1-OG 3.41Å |
| 64 | L | 82.5 | Confident | 78 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.1 | -35.4 | 174.5 | -71.3 | 171.2 | 0 | 0 | 0 | 112 | V15 A18 L37 L60 T61 L67 I68 V118 | V15-L64 HydrophobicContact CG2-CD1 4.37Å; A18-L64 HydrophobicContact CB-CB 4.47Å; A18-L64 HydrophobicContact CB-CD1 4Å; A18-L64 HydrophobicContact CB-CD2 4.02Å; A18-L64 HydrophobicContact CB-CG 4.39Å; L37-L64 HydrophobicContact CD1-CB 4.43Å; L60-L64 HydrophobicContact CD1-CD1 4.35Å; L60-L64 HydrophobicContact CD1-CG 4.38Å; L60-L64 HydrophobicContact CG-CD1 4.21Å; L60-L64 WeakPolarHBondContact O-CG 3.49Å; L60-L64 PolarHBondContact O-N 3.32Å; T61-L64 PolarHBondContact O-N 2.92Å; L64-L67 PolarHBondContact O-N 3.39Å; L64-I68 WeakPolarHBondContact O-CD1 3.1Å; L64-I68 VanDerWaalsContact O-CG1 3.25Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.49Å; L64-V118 HydrophobicContact CD2-CG1 4Å |
| 65 | I | 79.6 | Confident | 78.3 | Confident | 55 Ų | 55 | 38.3 Ų | 38.3 | 28% | 0.282 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 173.4 | -66.5 | 163.6 | 0 | 0 | 0 | 110.5 | L37 T61 L62 R63 L67 I68 L69 | L37-I65 HydrophobicContact CD1-CG1 3.87Å; T61-I65 HydrophobicContact CG2-CD1 4.11Å; T61-I65 WeakPolarHBondContact O-CG1 3.25Å; T61-I65 PolarHBondContact O-N 2.95Å; L62-I65 PolarHBondContact O-N 3.3Å; R63-I65 VanDerWaalsContact C-N 3.33Å; I65-L67 PolarHBondContact O-N 2.99Å; I65-I68 PolarHBondContact O-N 3.34Å; I65-L69 HydrophobicContact CG2-CD1 4.18Å; I65-L69 WeakPolarHBondContact O-CG 3.34Å; I65-L69 PolarHBondContact O-N 3.33Å |
| 66 | G | 82.3 | Confident | 78 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 26% | 0.258 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.8 | -47.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L62 R63 I68 L69 D70 | L62-G66 PolarHBondContact O-N 3.29Å; R63-G66 PolarHBondContact O-N 3.34Å; G66-I68 VanDerWaalsContact C-N 3.32Å; G66-I68 PolarHBondContact O-N 3.02Å; G66-L69 WeakPolarHBondContact O-CB 3.49Å; G66-L69 PolarHBondContact O-N 3.36Å; G66-L69 VanDerWaalsContact O-N 3.13Å; G66-D70 VanDerWaalsContact O-CG 3.28Å; G66-D70 PolarHBondContact O-N 2.93Å |
| 67 | L | 83.4 | Confident | 77.3 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 177.1 | -180 | 66.3 | 0 | 0 | 0 | 112.8 | R63 L64 I65 L69 D70 V71 I109 V118 Y121 | R63-L67 PolarHBondContact O-N 3.45Å; L64-L67 PolarHBondContact O-N 3.39Å; I65-L67 PolarHBondContact O-N 2.99Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-D70 PolarHBondContact O-N 3.34Å; L67-V71 VanDerWaalsContact O-CG2 3.32Å; L67-V71 WeakPolarHBondContact O-CG2 3.47Å; L67-V71 PolarHBondContact O-N 3.04Å; L67-I109 HydrophobicContact CD1-CD1 3.61Å; L67-V118 HydrophobicContact CD2-CB 4.48Å; L67-V118 HydrophobicContact CD2-CG1 4.01Å; L67-V118 HydrophobicContact CD2-CG2 4.11Å; L67-Y121 HydrophobicContact CB-CE1 3.96Å; L67-Y121 HydrophobicContact CD1-CE1 4.48Å; L67-Y121 HydrophobicContact CD2-CD1 4.04Å; L67-Y121 HydrophobicContact CD2-CE1 4.33Å; L67-Y121 HydrophobicContact CG-CE1 4.49Å |
| 68 | I | 79.2 | Confident | 76.4 | Confident | 22 Ų | 22 | 44.1 Ų | 44.1 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -41 | 177.7 | -69.5 | 163.8 | 0 | 0 | 0 | 110.6 | V32 L37 L64 I65 G66 V71 Y72 | V32-I68 HydrophobicContact CG2-CG2 3.92Å; L37-I68 HydrophobicContact CD1-CD1 4.36Å; L64-I68 WeakPolarHBondContact O-CD1 3.1Å; L64-I68 VanDerWaalsContact O-CG1 3.25Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.49Å; I65-I68 PolarHBondContact O-N 3.34Å; G66-I68 VanDerWaalsContact C-N 3.32Å; G66-I68 PolarHBondContact O-N 3.02Å; I68-V71 PolarHBondContact O-N 3.23Å; I68-Y72 VanDerWaalsContact O-CB 3.31Å; I68-Y72 WeakPolarHBondContact O-CB 3.5Å; I68-Y72 PolarHBondContact O-N 2.98Å |
| 69 | L | 79.4 | Confident | 75.5 | Confident | 71 Ų | 71 | 46.6 Ų | 46.6 | 37% | 0.372 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 176 | -69.9 | 172.7 | 0 | 0 | 0 | 111.5 | V32 I65 G66 L67 V71 Y72 D73 | V32-L69 HydrophobicContact CG1-CD2 3.9Å; V32-L69 HydrophobicContact CG1-CG 4.42Å; V32-L69 HydrophobicContact CG2-CD2 4.42Å; I65-L69 HydrophobicContact CG2-CD1 4.18Å; I65-L69 WeakPolarHBondContact O-CG 3.34Å; I65-L69 PolarHBondContact O-N 3.33Å; G66-L69 WeakPolarHBondContact O-CB 3.49Å; G66-L69 PolarHBondContact O-N 3.36Å; G66-L69 VanDerWaalsContact O-N 3.13Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 3.03Å; L69-Y72 WeakPolarHBondContact O-CB 3.38Å; L69-Y72 PolarHBondContact O-N 2.97Å; L69-Y72 VanDerWaalsContact O-N 3.13Å; L69-D73 WeakPolarHBondContact O-CB 3.38Å; L69-D73 PolarHBondContact O-N 3.32Å |
| 70 | D | 83.6 | Confident | 74.2 | Confident | 40 Ų | 40 | 48.4 Ų | 48.4 | 21% | 0.214 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 177.5 | -67.8 | -24.8 | 0 | 0 | 0 | 111.9 | G66 L67 G74 I109 | G66-D70 VanDerWaalsContact O-CG 3.28Å; G66-D70 PolarHBondContact O-N 2.93Å; L67-D70 PolarHBondContact O-N 3.34Å; D70-G74 PolarHBondContact O-N 2.89Å; D70-G74 VanDerWaalsContact O-N 3.07Å; D70-I109 HydrophobicContact CB-CD1 4.01Å; D70-I109 HydrophobicContact CB-CG1 4.11Å; D70-I109 PolarHBondContact O-N 2.96Å |
| 71 | V | 81.7 | Confident | 72.8 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 10% | 0.097 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.8 | -37.5 | 173.9 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | L67 I68 L69 G75 I109 P113 | L67-V71 VanDerWaalsContact O-CG2 3.32Å; L67-V71 WeakPolarHBondContact O-CG2 3.47Å; L67-V71 PolarHBondContact O-N 3.04Å; I68-V71 PolarHBondContact O-N 3.23Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 3.03Å; V71-G75 PolarHBondContact O-N 3.4Å; V71-G75 VanDerWaalsContact O-N 3.17Å; V71-I109 HydrophobicContact CG2-CB 4.08Å; V71-I109 HydrophobicContact CG2-CD1 4.22Å; V71-I109 HydrophobicContact CG2-CG2 4.19Å; V71-P113 HydrophobicContact CG2-CG 4.07Å |
| 72 | Y | 76.9 | Confident | 71.6 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 176.9 | 175 | -95.2 | 0 | 0 | 0 | 111.5 | V29 I68 L69 G75 Q76 Y81 | V29-Y72 HydrophobicContact CG1-CE1 4.34Å; V29-Y72 HydrophobicContact CG1-CE2 3.9Å; V29-Y72 VanDerWaalsContact CG1-CZ 3.47Å; V29-Y72 WeakPolarHBondContact CG1-OH 3.37Å; I68-Y72 VanDerWaalsContact O-CB 3.31Å; I68-Y72 WeakPolarHBondContact O-CB 3.5Å; I68-Y72 PolarHBondContact O-N 2.98Å; L69-Y72 WeakPolarHBondContact O-CB 3.38Å; L69-Y72 PolarHBondContact O-N 2.97Å; L69-Y72 VanDerWaalsContact O-N 3.13Å; Y72-G75 PolarHBondContact O-N 2.86Å; Y72-Q76 PolarHBondContact OH-NE2 3.25Å; Y72-Y81 PolarHBondContact OH-OH 3.16Å |
| 73 | D | 75.3 | Confident | 70.5 | Confident | 54 Ų | 54 | 48.9 Ų | 48.9 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 178.5 | -75.4 | -10.9 | 0 | 0 | 0 | 111.7 | L69 G75 Q76 A108 | L69-D73 WeakPolarHBondContact O-CB 3.38Å; L69-D73 PolarHBondContact O-N 3.32Å; D73-G75 VanDerWaalsContact C-N 3.29Å; D73-G75 PolarHBondContact O-N 2.95Å; D73-Q76 WeakPolarHBondContact O-CB 3.34Å; D73-Q76 PolarHBondContact O-N 3.22Å; D73-A108 HydrophobicContact CB-CB 4.29Å |
| 74 | G | 77.9 | Confident | 69.1 | Low | 16 Ų | 16 | 53.8 Ų | 53.8 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.8 | -21.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | D70 Q76 I109 | D70-G74 PolarHBondContact O-N 2.89Å; D70-G74 VanDerWaalsContact O-N 3.07Å; G74-Q76 VanDerWaalsContact C-N 3.28Å; G74-I109 WeakPolarHBondContact CA-O 3.36Å |
| 75 | G | 73.2 | Confident | 68 | Low | 49 Ų | 49 | 58.2 Ų | 58.2 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -13 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V71 Y72 D73 P77 | V71-G75 PolarHBondContact O-N 3.4Å; V71-G75 VanDerWaalsContact O-N 3.17Å; Y72-G75 PolarHBondContact O-N 2.86Å; D73-G75 VanDerWaalsContact C-N 3.29Å; D73-G75 PolarHBondContact O-N 2.95Å; G75-P77 WeakPolarHBondContact O-CD 3.36Å |
| 76 | Q | 65.3 | Low | 66.7 | Low | 40 Ų | 40 | 59.7 Ų | 59.7 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -78.3 | 123.3 | 177 | -59.2 | -60.8 | -6.4 | 0 | 0 | 110.2 | Y72 D73 G74 E78 Y81 | Y72-Q76 PolarHBondContact OH-NE2 3.25Å; D73-Q76 WeakPolarHBondContact O-CB 3.34Å; D73-Q76 PolarHBondContact O-N 3.22Å; G74-Q76 VanDerWaalsContact C-N 3.28Å; Q76-E78 PolarHBondContact O-N 3.42Å; Q76-Y81 VanDerWaalsContact CD-CG 3.45Å; Q76-Y81 HydrophobicContact CG-CD1 4.32Å; Q76-Y81 HydrophobicContact CG-CG 4.39Å; Q76-Y81 VanDerWaalsContact NE2-CE1 3.33Å; Q76-Y81 VanDerWaalsContact OE1-CE2 3.32Å |
| 77 | P | 56.7 | Low | 65.5 | Low | 71 Ų | 71 | 68.2 Ų | 68.2 | 46% | 0.461 | 37% | 0.369 | S | S | . | . | trans | -60.1 | 111 | 163.4 | 25.1 | -32.1 | 0 | 0 | 0 | 106.9 | G75 V79 T80 Y81 | G75-P77 WeakPolarHBondContact O-CD 3.36Å; P77-V79 PolarHBondContact O-N 3.48Å; P77-T80 PolarHBondContact O-N 3Å; P77-Y81 PolarHBondContact O-N 3.43Å | ||
| 78 | E | 56.7 | Low | 64.1 | Low | 118 Ų | 118 | 68.7 Ų | 68.7 | 55% | 0.551 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41 | -21.5 | -172.3 | -168.6 | 174.8 | -179.8 | 0 | 0 | 115 | Q76 Q97 | Q76-E78 PolarHBondContact O-N 3.42Å; E78-Q97 PolarHBondContact OE1-NE2 2.67Å |
| 79 | V | 56 | Low | 63.1 | Low | 92 Ų | 92 | 71.7 Ų | 71.7 | 56% | 0.558 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | -19.5 | -174.9 | -143.5 | 0 | 0 | 0 | 0 | 114 | P77 | P77-V79 PolarHBondContact O-N 3.48Š|
| 80 | T | 50.6 | Low | 62.1 | Low | 78 Ų | 78 | 74.5 Ų | 74.5 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -97.6 | -29.2 | -170.4 | -47.9 | 0 | 0 | 0 | 0 | 113.3 | P77 A83 K84 | P77-T80 PolarHBondContact O-N 3Å; T80-A83 PolarHBondContact O-N 3.07Å; T80-K84 PolarHBondContact O-N 3.05Å |
| 81 | Y | 52.2 | Low | 60.9 | Low | 79 Ų | 79 | 78.8 Ų | 78.8 | 31% | 0.31 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.6 | -35.6 | 179.9 | -157.2 | -113.5 | 0 | 0 | 0 | 112.4 | Y72 Q76 P77 A83 K84 V85 | Y72-Y81 PolarHBondContact OH-OH 3.16Å; Q76-Y81 VanDerWaalsContact CD-CG 3.45Å; Q76-Y81 HydrophobicContact CG-CD1 4.32Å; Q76-Y81 HydrophobicContact CG-CG 4.39Å; Q76-Y81 VanDerWaalsContact NE2-CE1 3.33Å; Q76-Y81 VanDerWaalsContact OE1-CE2 3.32Å; P77-Y81 PolarHBondContact O-N 3.43Å; Y81-A83 VanDerWaalsContact C-N 3.31Å; Y81-A83 PolarHBondContact O-N 3.46Å; Y81-K84 PolarHBondContact O-N 3.17Å; Y81-K84 VanDerWaalsContact O-N 3.12Å; Y81-V85 HydrophobicContact CD1-CB 4.47Å; Y81-V85 HydrophobicContact CD1-CG2 3.45Å; Y81-V85 VanDerWaalsContact CD1-CG2 3.45Å; Y81-V85 HydrophobicContact CD2-CG2 4.19Å; Y81-V85 HydrophobicContact CE1-CG2 3.27Å; Y81-V85 HydrophobicContact CE2-CG2 4.04Å; Y81-V85 HydrophobicContact CG-CG2 3.94Å; Y81-V85 WeakPolarHBondContact O-CB 3.49Å; Y81-V85 WeakPolarHBondContact O-CG2 3.48Å; Y81-V85 PolarHBondContact O-N 2.73Å |
| 82 | L | 50 | Low | 59.7 | Low | 37 Ų | 37 | 81.6 Ų | 81.6 | 19% | 0.194 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 173.3 | -62.9 | 178.3 | 0 | 0 | 0 | 111.6 | K84 L86 I93 L96 Q97 | L82-K84 VanDerWaalsContact C-N 3.33Å; L82-K84 PolarHBondContact O-N 2.75Å; L82-L86 WeakPolarHBondContact O-CB 3.37Å; L82-L86 PolarHBondContact O-N 3.25Å; L82-I93 HydrophobicContact CB-CB 4.18Å; L82-I93 HydrophobicContact CB-CD1 4.22Å; L82-I93 HydrophobicContact CB-CG1 3.9Å; L82-I93 HydrophobicContact CB-CG2 3.55Å; L82-I93 HydrophobicContact CD1-CG2 3.65Å; L82-I93 HydrophobicContact CG-CG2 4.22Å; L82-L96 HydrophobicContact CD2-CB 4.19Å; L82-L96 HydrophobicContact CD2-CD2 3.26Å; L82-L96 HydrophobicContact CD2-CG 4.07Å; L82-Q97 HydrophobicContact CD1-CB 4.2Å |
| 83 | A | 54.7 | Low | 58.6 | Low | 50 Ų | 50 | 80.3 Ų | 80.3 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.7 | -33.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T80 Y81 I93 | T80-A83 PolarHBondContact O-N 3.07Å; Y81-A83 VanDerWaalsContact C-N 3.31Å; Y81-A83 PolarHBondContact O-N 3.46Å; A83-I93 HydrophobicContact CB-CD1 3.87Å |
| 84 | K | 54.2 | Low | 57.9 | Low | 169 Ų | 169 | 82.6 Ų | 82.6 | 74% | 0.735 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -82.7 | -42.2 | -178.3 | -110.8 | -179.9 | -178 | 176.4 | 0 | 114.4 | T80 Y81 L82 | T80-K84 PolarHBondContact O-N 3.05Å; Y81-K84 PolarHBondContact O-N 3.17Å; Y81-K84 VanDerWaalsContact O-N 3.12Å; L82-K84 VanDerWaalsContact C-N 3.33Å; L82-K84 PolarHBondContact O-N 2.75Å |
| 85 | V | 58.2 | Low | 56.8 | Low | 95 Ų | 95 | 84.7 Ų | 84.7 | 58% | 0.576 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -78.6 | -42.4 | -176.3 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | Y81 | Y81-V85 HydrophobicContact CD1-CB 4.47Å; Y81-V85 HydrophobicContact CD1-CG2 3.45Å; Y81-V85 VanDerWaalsContact CD1-CG2 3.45Å; Y81-V85 HydrophobicContact CD2-CG2 4.19Å; Y81-V85 HydrophobicContact CE1-CG2 3.27Å; Y81-V85 HydrophobicContact CE2-CG2 4.04Å; Y81-V85 HydrophobicContact CG-CG2 3.94Å; Y81-V85 WeakPolarHBondContact O-CB 3.49Å; Y81-V85 WeakPolarHBondContact O-CG2 3.48Å; Y81-V85 PolarHBondContact O-N 2.73Å |
| 86 | L | 53.8 | Low | 55.7 | Low | 87 Ų | 87 | 86.1 Ų | 86.1 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -89.9 | -18.8 | -173.3 | -151.2 | 67.8 | 0 | 0 | 0 | 112.7 | L82 A88 D92 | L82-L86 WeakPolarHBondContact O-CB 3.37Å; L82-L86 PolarHBondContact O-N 3.25Å; L86-A88 HydrophobicContact CB-CB 3.78Å; L86-A88 HydrophobicContact CD2-CB 3.5Å; L86-A88 HydrophobicContact CG-CB 3.48Å; L86-A88 VanDerWaalsContact CG-CB 3.48Å; L86-A88 WeakPolarHBondContact O-CB 3.31Å; L86-A88 PolarHBondContact O-N 3.14Å; L86-D92 HydrophobicContact CD2-CB 4.17Å |
| 87 | K | 57.5 | Low | 55.2 | Low | 203 Ų | 203 | 86.5 Ų | 86.5 | 88% | 0.883 | 47% | 0.466 | S | S | * | . | trans | 44.5 | 27.8 | -172.6 | -129.3 | -177.7 | -164.8 | 177.9 | 0 | 111.8 | ||||
| 88 | A | 52.5 | Low | 55.1 | Low | 21 Ų | 21 | 87.2 Ų | 87.2 | 17% | 0.174 | 47% | 0.473 | C | S | . | . | trans | -105.4 | 152 | -167.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L86 D92 | L86-A88 HydrophobicContact CB-CB 3.78Å; L86-A88 HydrophobicContact CD2-CB 3.5Å; L86-A88 HydrophobicContact CG-CB 3.48Å; L86-A88 VanDerWaalsContact CG-CB 3.48Å; L86-A88 WeakPolarHBondContact O-CB 3.31Å; L86-A88 PolarHBondContact O-N 3.14Å; A88-D92 HydrophobicContact CB-CB 4.04Å | ||
| 89 | P | 57.9 | Low | 55 | Low | 85 Ų | 85 | 88.1 Ų | 88.1 | 55% | 0.552 | 48% | 0.479 | S | S | * | . | trans | -54.6 | 147.4 | 179 | 22.6 | -32.8 | 0 | 0 | 0 | 110.9 | I91 D92 | P89-I91 HydrophobicContact CB-CG2 4.24Å; P89-I91 HydrophobicContact CG-CG2 4.13Å; P89-I91 PolarHBondContact O-N 2.85Å; P89-D92 WeakPolarHBondContact CD-OD2 3.46Å; P89-D92 WeakPolarHBondContact CG-OD2 3.28Å; P89-D92 PolarHBondContact O-N 3.05Å | ||
| 90 | L | 59.4 | Low | 55.3 | Low | 131 Ų | 131 | 86.6 Ų | 86.6 | 69% | 0.686 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -49.1 | -23.9 | -177 | -167.1 | 66.4 | 0 | 0 | 0 | 114 | I93 V94 | L90-I93 HydrophobicContact CD1-CD1 4.4Å; L90-I93 PolarHBondContact O-N 3.22Å; L90-V94 PolarHBondContact O-N 3.47Å |
| 91 | I | 58.2 | Low | 56.1 | Low | 130 Ų | 130 | 85.8 Ų | 85.8 | 67% | 0.667 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.6 | -37 | 176.4 | -154.3 | 78.4 | 0 | 0 | 0 | 113 | P89 I93 C95 | P89-I91 HydrophobicContact CB-CG2 4.24Å; P89-I91 HydrophobicContact CG-CG2 4.13Å; P89-I91 PolarHBondContact O-N 2.85Å; I91-I93 VanDerWaalsContact C-N 3.34Å; I91-C95 PolarHBondContact O-N 3.23Å |
| 92 | D | 56 | Low | 57.3 | Low | 75 Ų | 75 | 89.1 Ų | 89.1 | 40% | 0.401 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.1 | -27.4 | 179.9 | -66.5 | -32.7 | 0 | 0 | 0 | 111.3 | L86 A88 P89 C95 L96 | L86-D92 HydrophobicContact CD2-CB 4.17Å; A88-D92 HydrophobicContact CB-CB 4.04Å; P89-D92 WeakPolarHBondContact CD-OD2 3.46Å; P89-D92 WeakPolarHBondContact CG-OD2 3.28Å; P89-D92 PolarHBondContact O-N 3.05Å; D92-C95 WeakPolarHBondContact O-CB 3.5Å; D92-C95 PolarHBondContact O-N 2.76Å; D92-L96 PolarHBondContact O-N 3.12Å |
| 93 | I | 55 | Low | 58.5 | Low | 7 Ų | 7 | 95.5 Ų | 95.5 | 4% | 0.036 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -68 | -43.4 | 175.9 | -64.3 | 177.8 | 0 | 0 | 0 | 110.9 | L82 A83 L90 I91 C95 L96 Q97 | L82-I93 HydrophobicContact CB-CB 4.18Å; L82-I93 HydrophobicContact CB-CD1 4.22Å; L82-I93 HydrophobicContact CB-CG1 3.9Å; L82-I93 HydrophobicContact CB-CG2 3.55Å; L82-I93 HydrophobicContact CD1-CG2 3.65Å; L82-I93 HydrophobicContact CG-CG2 4.22Å; A83-I93 HydrophobicContact CB-CD1 3.87Å; L90-I93 HydrophobicContact CD1-CD1 4.4Å; L90-I93 PolarHBondContact O-N 3.22Å; I91-I93 VanDerWaalsContact C-N 3.34Å; I93-C95 PolarHBondContact O-N 2.97Å; I93-L96 PolarHBondContact O-N 3.41Å; I93-Q97 PolarHBondContact O-N 3.46Å |
| 94 | V | 59.5 | Low | 59.5 | Low | 101 Ų | 101 | 96.8 Ų | 96.8 | 61% | 0.612 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.1 | -38 | 173.7 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | L90 S98 | L90-V94 PolarHBondContact O-N 3.47Å; V94-S98 WeakPolarHBondContact O-CB 3.39Å; V94-S98 PolarHBondContact O-N 3.39Å |
| 95 | C | 54.3 | Low | 60.5 | Low | 61 Ų | 61 | 92.6 Ų | 92.6 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 174.1 | -165.2 | 0 | 0 | 0 | 0 | 111.8 | I91 D92 I93 S98 M99 | I91-C95 PolarHBondContact O-N 3.23Å; D92-C95 WeakPolarHBondContact O-CB 3.5Å; D92-C95 PolarHBondContact O-N 2.76Å; I93-C95 PolarHBondContact O-N 2.97Å; C95-S98 WeakPolarHBondContact CA-OG 3.49Å; C95-S98 CarbonylContact O-C 3.43Å; C95-S98 WeakPolarHBondContact O-CA 3.24Å; C95-S98 WeakPolarHBondContact O-CB 3.43Å; C95-S98 PolarHBondContact O-N 2.69Å; C95-S98 PolarHBondContact O-OG 2.92Å; C95-M99 WeakPolarHBondContact O-CG 3.35Å; C95-M99 PolarHBondContact O-N 3.48Å |
| 96 | L | 50.6 | Low | 61.5 | Low | 79 Ų | 79 | 96.2 Ų | 96.2 | 41% | 0.414 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 178.9 | -155.6 | 69.5 | 0 | 0 | 0 | 113.1 | L82 D92 I93 S98 M99 L100 | L82-L96 HydrophobicContact CD2-CB 4.19Å; L82-L96 HydrophobicContact CD2-CD2 3.26Å; L82-L96 HydrophobicContact CD2-CG 4.07Å; D92-L96 PolarHBondContact O-N 3.12Å; I93-L96 PolarHBondContact O-N 3.41Å; L96-S98 PolarHBondContact O-N 3.28Å; L96-M99 HydrophobicContact CD1-CB 4.33Å; L96-M99 HydrophobicContact CD1-CG 4.24Å; L96-M99 WeakPolarHBondContact O-CA 3.24Å; L96-M99 WeakPolarHBondContact O-CB 3.21Å; L96-M99 PolarHBondContact O-N 2.84Å; L96-L100 PolarHBondContact O-N 2.89Å |
| 97 | Q | 55.9 | Low | 62.9 | Low | 48 Ų | 48 | 93 Ų | 93 | 22% | 0.224 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -68.5 | -22.1 | 170.3 | -168.9 | 167.1 | -6.3 | 0 | 0 | 111.8 | E78 L82 I93 K105 | E78-Q97 PolarHBondContact OE1-NE2 2.67Å; L82-Q97 HydrophobicContact CD1-CB 4.2Å; I93-Q97 PolarHBondContact O-N 3.46Å; Q97-K105 VanDerWaalsContact O-CE 3.28Å; Q97-K105 WeakPolarHBondContact O-CE 3.46Å; Q97-K105 PolarHBondContact O-NZ 3.37Å |
| 98 | S | 53.6 | Low | 64.2 | Low | 86 Ų | 86 | 84.8 Ų | 84.8 | 60% | 0.601 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -78.7 | -26.4 | 167.2 | 81.5 | 0 | 0 | 0 | 0 | 113.4 | V94 C95 L96 | V94-S98 WeakPolarHBondContact O-CB 3.39Å; V94-S98 PolarHBondContact O-N 3.39Å; C95-S98 WeakPolarHBondContact CA-OG 3.49Å; C95-S98 CarbonylContact O-C 3.43Å; C95-S98 WeakPolarHBondContact O-CA 3.24Å; C95-S98 WeakPolarHBondContact O-CB 3.43Å; C95-S98 PolarHBondContact O-N 2.69Å; C95-S98 PolarHBondContact O-OG 2.92Å; L96-S98 PolarHBondContact O-N 3.28Å |
| 99 | M | 55.7 | Low | 65.6 | Low | 136 Ų | 136 | 86.3 Ų | 86.3 | 67% | 0.67 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -73.4 | -29 | 171.1 | -62.1 | -65.7 | -157.3 | 0 | 0 | 111.9 | C95 L96 S101 | C95-M99 WeakPolarHBondContact O-CG 3.35Å; C95-M99 PolarHBondContact O-N 3.48Å; L96-M99 HydrophobicContact CD1-CB 4.33Å; L96-M99 HydrophobicContact CD1-CG 4.24Å; L96-M99 WeakPolarHBondContact O-CA 3.24Å; L96-M99 WeakPolarHBondContact O-CB 3.21Å; L96-M99 PolarHBondContact O-N 2.84Å; M99-S101 PolarHBondContact O-N 3.5Å |
| 100 | L | 61.4 | Low | 66.7 | Low | 61 Ų | 61 | 90.2 Ų | 90.2 | 32% | 0.319 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -69.4 | 112.1 | 174.9 | -166.7 | 72 | 0 | 0 | 0 | 108.8 | L96 E102 Q104 K105 | L96-L100 PolarHBondContact O-N 2.89Å; L100-E102 PolarHBondContact O-N 3.03Å; L100-Q104 HydrophobicContact CD1-CB 3.7Å; L100-Q104 VanDerWaalsContact CD1-CD 3.47Å; L100-Q104 HydrophobicContact CD1-CG 4.22Å; L100-Q104 HydrophobicContact CG-CB 3.9Å; L100-K105 HydrophobicContact CD2-CD 4.4Å; L100-K105 HydrophobicContact CD2-CG 3.53Å; L100-K105 HydrophobicContact CG-CG 4.14Å |
| 101 | S | 68.2 | Low | 67.8 | Low | 61 Ų | 61 | 90.4 Ų | 90.4 | 43% | 0.427 | 46% | 0.464 | S | S | . | . | trans | -54.9 | 141 | -178.7 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | M99 Y103 Q104 K105 | M99-S101 PolarHBondContact O-N 3.5Å; S101-Y103 PolarHBondContact O-N 3.42Å; S101-Y103 PolarHBondContact OG-N 3.5Å; S101-Q104 PolarHBondContact O-N 3.04Å; S101-K105 PolarHBondContact O-N 3.4Å | ||
| 102 | E | 76.7 | Confident | 68.9 | Low | 148 Ų | 148 | 89.1 Ų | 89.1 | 69% | 0.692 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -52 | -27.3 | 175 | -65.1 | -163.6 | 127.8 | 0 | 0 | 112.3 | L100 K106 | L100-E102 PolarHBondContact O-N 3.03Å; E102-K106 WeakPolarHBondContact O-CG 3.43Å; E102-K106 PolarHBondContact O-N 2.89Å |
| 103 | Y | 75.6 | Confident | 70.3 | Confident | 172 Ų | 172 | 86.2 Ų | 86.2 | 68% | 0.675 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.1 | -46.6 | 173.2 | -177.4 | -98.3 | 0 | 0 | 0 | 113 | S101 K105 K106 A107 | S101-Y103 PolarHBondContact O-N 3.42Å; S101-Y103 PolarHBondContact OG-N 3.5Å; Y103-K105 VanDerWaalsContact C-N 3.34Å; Y103-K105 PolarHBondContact O-N 3.3Å; Y103-K106 CarbonylContact O-C 3.59Å; Y103-K106 PolarHBondContact O-N 3.36Å; Y103-K106 VanDerWaalsContact O-N 3.1Å; Y103-A107 HydrophobicContact CD1-CB 4.5Å; Y103-A107 HydrophobicContact CE1-CB 4.19Å; Y103-A107 WeakPolarHBondContact O-CB 3.29Å; Y103-A107 PolarHBondContact O-N 3.42Å |
| 104 | Q | 74.4 | Confident | 71.9 | Confident | 76 Ų | 76 | 88.4 Ų | 88.4 | 36% | 0.355 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | -176.4 | -67.7 | 174.6 | -84 | 0 | 0 | 111.4 | L100 S101 K106 A107 A108 | L100-Q104 HydrophobicContact CD1-CB 3.7Å; L100-Q104 VanDerWaalsContact CD1-CD 3.47Å; L100-Q104 HydrophobicContact CD1-CG 4.22Å; L100-Q104 HydrophobicContact CG-CB 3.9Å; S101-Q104 PolarHBondContact O-N 3.04Å; Q104-K106 VanDerWaalsContact C-N 3.26Å; Q104-K106 PolarHBondContact O-N 3.22Å; Q104-A107 PolarHBondContact O-N 3.31Å; Q104-A108 PolarHBondContact O-N 3.15Å |
| 105 | K | 75.6 | Confident | 73 | Confident | 82 Ų | 82 | 86.9 Ų | 86.9 | 36% | 0.357 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.8 | -35 | 174.5 | -66.8 | 178 | -170.4 | 164.8 | 0 | 112.6 | Q97 L100 S101 Y103 | Q97-K105 VanDerWaalsContact O-CE 3.28Å; Q97-K105 WeakPolarHBondContact O-CE 3.46Å; Q97-K105 PolarHBondContact O-NZ 3.37Å; L100-K105 HydrophobicContact CD2-CD 4.4Å; L100-K105 HydrophobicContact CD2-CG 3.53Å; L100-K105 HydrophobicContact CG-CG 4.14Å; S101-K105 PolarHBondContact O-N 3.4Å; Y103-K105 VanDerWaalsContact C-N 3.34Å; Y103-K105 PolarHBondContact O-N 3.3Å |
| 106 | K | 80.4 | Confident | 74.6 | Confident | 170 Ų | 170 | 90.6 Ų | 90.6 | 74% | 0.739 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -78.7 | -31.3 | 177.5 | -71.3 | 172.9 | -177.7 | 171.4 | 0 | 112.5 | E102 Y103 Q104 | E102-K106 WeakPolarHBondContact O-CG 3.43Å; E102-K106 PolarHBondContact O-N 2.89Å; Y103-K106 CarbonylContact O-C 3.59Å; Y103-K106 PolarHBondContact O-N 3.36Å; Y103-K106 VanDerWaalsContact O-N 3.1Å; Q104-K106 VanDerWaalsContact C-N 3.26Å; Q104-K106 PolarHBondContact O-N 3.22Å |
| 107 | A | 83.3 | Confident | 76.4 | Confident | 21 Ų | 21 | 92.3 Ų | 92.3 | 17% | 0.174 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -80.4 | -20.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y103 Q104 I109 | Y103-A107 HydrophobicContact CD1-CB 4.5Å; Y103-A107 HydrophobicContact CE1-CB 4.19Å; Y103-A107 WeakPolarHBondContact O-CB 3.29Å; Y103-A107 PolarHBondContact O-N 3.42Å; Q104-A107 PolarHBondContact O-N 3.31Å; A107-I109 WeakPolarHBondContact O-CG1 3.33Å; A107-I109 PolarHBondContact O-N 2.91Å |
| 108 | A | 83.1 | Confident | 77.9 | Confident | 30 Ų | 30 | 90 Ų | 90 | 25% | 0.248 | 45% | 0.453 | C | S | . | . | trans | -57.9 | 123 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D73 Q104 | D73-A108 HydrophobicContact CB-CB 4.29Å; Q104-A108 PolarHBondContact O-N 3.15Å | ||
| 109 | I | 83.2 | Confident | 79.4 | Confident | 53 Ų | 53 | 87.3 Ų | 87.3 | 27% | 0.272 | 44% | 0.435 | S | S | . | . | trans | -98.7 | 111.7 | -177.1 | -60.7 | 172.7 | 0 | 0 | 0 | 109.2 | L67 D70 V71 G74 A107 D111 | L67-I109 HydrophobicContact CD1-CD1 3.61Å; D70-I109 HydrophobicContact CB-CD1 4.01Å; D70-I109 HydrophobicContact CB-CG1 4.11Å; D70-I109 PolarHBondContact O-N 2.96Å; V71-I109 HydrophobicContact CG2-CB 4.08Å; V71-I109 HydrophobicContact CG2-CD1 4.22Å; V71-I109 HydrophobicContact CG2-CG2 4.19Å; G74-I109 WeakPolarHBondContact CA-O 3.36Å; A107-I109 WeakPolarHBondContact O-CG1 3.33Å; A107-I109 PolarHBondContact O-N 2.91Å; I109-D111 WeakPolarHBondContact CG2-O 3.45Å | ||
| 110 | K | 80.2 | Confident | 81 | Confident | 167 Ų | 167 | 83.7 Ų | 83.7 | 73% | 0.726 | 43% | 0.427 | S | S | * | . | trans | -76.3 | -38.5 | -178 | -63.9 | -176.9 | 179.3 | -178.1 | 0 | 113.3 | ||||
| 111 | D | 82.8 | Confident | 82.1 | Confident | 135 Ų | 135 | 84.5 Ų | 84.5 | 72% | 0.722 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -97.2 | 140.4 | -177.1 | -69.8 | -50.8 | 0 | 0 | 0 | 111.2 | I109 P113 | I109-D111 WeakPolarHBondContact CG2-O 3.45Å; D111-P113 WeakPolarHBondContact O-CD 3.31Å |
| 112 | K | 81.3 | Confident | 82.8 | Confident | 103 Ų | 103 | 81.7 Ų | 81.7 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 124.7 | -178.9 | -169.5 | 172.3 | -55.2 | -132.5 | 0 | 110.7 | C22 K23 | C22-K112 WeakPolarHBondContact O-CE 3.49Å; C22-K112 PolarHBondContact O-NZ 2.68Å; K23-K112 HydrophobicContact CB-CD 4.48Å; K23-K112 HydrophobicContact CG-CD 4.44Å; K23-K112 PolarHBondContact O-NZ 3.49Å |
| 113 | P | 85 | Confident | 83.1 | Confident | 14 Ų | 14 | 78 Ų | 78 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 142 | -179.3 | 27.5 | -34.7 | 0 | 0 | 0 | 111.4 | V71 D111 E117 V118 | V71-P113 HydrophobicContact CG2-CG 4.07Å; D111-P113 WeakPolarHBondContact O-CD 3.31Å; P113-E117 HydrophobicContact CB-CB 4.34Å; P113-V118 HydrophobicContact CB-CG2 3.97Å; P113-V118 HydrophobicContact CG-CG2 3.97Å |
| 114 | S | 88.5 | Confident | 83.4 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 157.4 | 171 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | L116 E117 V118 | S114-L116 PolarHBondContact O-N 3.4Å; S114-E117 WeakPolarHBondContact CB-OE2 3.34Å; S114-E117 PolarHBondContact N-OE2 3.44Å; S114-E117 PolarHBondContact O-N 2.81Å; S114-E117 VanDerWaalsContact OG-CD 3.31Å; S114-E117 VanDerWaalsContact OG-CG 3.31Å; S114-E117 WeakPolarHBondContact OG-CG 3.22Å; S114-E117 PolarHBondContact OG-N 3.4Å; S114-E117 PolarHBondContact OG-OE2 2.86Å; S114-V118 WeakPolarHBondContact O-CG2 3.3Å; S114-V118 PolarHBondContact O-N 2.73Å |
| 115 | L | 83.7 | Confident | 83.4 | Confident | 70 Ų | 70 | 79.7 Ų | 79.7 | 37% | 0.366 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -56.4 | -36.2 | 179.4 | 177.8 | 65.6 | 0 | 0 | 0 | 111.7 | F16 Y19 V118 A119 | F16-L115 HydrophobicContact CD2-CD1 4.44Å; Y19-L115 HydrophobicContact CD1-CB 4.2Å; Y19-L115 HydrophobicContact CD1-CD1 3.78Å; Y19-L115 HydrophobicContact CD1-CG 4.46Å; Y19-L115 HydrophobicContact CD2-CB 3.89Å; Y19-L115 HydrophobicContact CD2-CD1 4.09Å; Y19-L115 HydrophobicContact CE1-CB 4.12Å; Y19-L115 HydrophobicContact CE1-CD1 4.48Å; Y19-L115 HydrophobicContact CE2-CB 3.81Å; Y19-L115 HydrophobicContact CG-CB 4.09Å; Y19-L115 HydrophobicContact CG-CD1 3.54Å; Y19-L115 HydrophobicContact CG-CG 4.4Å; L115-V118 PolarHBondContact O-N 3.11Å; L115-A119 VanDerWaalsContact O-CB 3.31Å; L115-A119 WeakPolarHBondContact O-CB 3.25Å; L115-A119 PolarHBondContact O-N 2.83Å |
| 116 | L | 87.8 | Confident | 83.2 | Confident | 139 Ų | 139 | 77.2 Ų | 77.2 | 73% | 0.728 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -67.6 | -38.3 | 179 | -173.6 | 61.7 | 0 | 0 | 0 | 111.8 | S114 A119 A120 | S114-L116 PolarHBondContact O-N 3.4Å; L116-A119 PolarHBondContact O-N 3.05Å; L116-A120 WeakPolarHBondContact O-CB 3.24Å; L116-A120 PolarHBondContact O-N 2.92Å |
| 117 | E | 87.9 | Confident | 82.7 | Confident | 114 Ų | 114 | 69.7 Ų | 69.7 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 175.7 | -72.3 | 164.9 | 134.3 | 0 | 0 | 111.5 | P113 S114 A119 A120 Y121 | P113-E117 HydrophobicContact CB-CB 4.34Å; S114-E117 WeakPolarHBondContact CB-OE2 3.34Å; S114-E117 PolarHBondContact N-OE2 3.44Å; S114-E117 PolarHBondContact O-N 2.81Å; S114-E117 VanDerWaalsContact OG-CD 3.31Å; S114-E117 VanDerWaalsContact OG-CG 3.31Å; S114-E117 WeakPolarHBondContact OG-CG 3.22Å; S114-E117 PolarHBondContact OG-N 3.4Å; S114-E117 PolarHBondContact OG-OE2 2.86Å; E117-A119 VanDerWaalsContact C-N 3.34Å; E117-A119 PolarHBondContact O-N 3.12Å; E117-A120 PolarHBondContact O-N 3.23Å; E117-Y121 WeakPolarHBondContact O-CB 3.15Å; E117-Y121 PolarHBondContact O-N 3.22Å |
| 118 | V | 87.2 | Confident | 81.9 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 175.4 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | V15 Y19 L64 L67 P113 S114 L115 Y121 S122 | V15-V118 HydrophobicContact CG1-CG1 4.17Å; Y19-V118 HydrophobicContact CD2-CG2 4.29Å; L64-V118 HydrophobicContact CD2-CG1 4Å; L67-V118 HydrophobicContact CD2-CB 4.48Å; L67-V118 HydrophobicContact CD2-CG1 4.01Å; L67-V118 HydrophobicContact CD2-CG2 4.11Å; P113-V118 HydrophobicContact CB-CG2 3.97Å; P113-V118 HydrophobicContact CG-CG2 3.97Å; S114-V118 WeakPolarHBondContact O-CG2 3.3Å; S114-V118 PolarHBondContact O-N 2.73Å; L115-V118 PolarHBondContact O-N 3.11Å; V118-Y121 PolarHBondContact O-N 2.84Å; V118-S122 VanDerWaalsContact O-CB 3.24Å; V118-S122 WeakPolarHBondContact O-CB 3.48Å; V118-S122 PolarHBondContact O-N 2.92Å; V118-S122 PolarHBondContact O-OG 3.1Å |
| 119 | A | 85.7 | Confident | 81 | Confident | 28 Ų | 28 | 74.2 Ų | 74.2 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L115 L116 E117 S122 Y123 | L115-A119 VanDerWaalsContact O-CB 3.31Å; L115-A119 WeakPolarHBondContact O-CB 3.25Å; L115-A119 PolarHBondContact O-N 2.83Å; L116-A119 PolarHBondContact O-N 3.05Å; E117-A119 VanDerWaalsContact C-N 3.34Å; E117-A119 PolarHBondContact O-N 3.12Å; A119-S122 PolarHBondContact O-N 3.47Å; A119-Y123 WeakPolarHBondContact O-CB 3.41Å; A119-Y123 WeakPolarHBondContact O-CD2 3.22Å; A119-Y123 PolarHBondContact O-N 3.39Å |
| 120 | A | 88.1 | Confident | 80 | Confident | 60 Ų | 60 | 75.7 Ų | 75.7 | 50% | 0.496 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L116 E117 S122 F124 | L116-A120 WeakPolarHBondContact O-CB 3.24Å; L116-A120 PolarHBondContact O-N 2.92Å; E117-A120 PolarHBondContact O-N 3.23Å; A120-S122 VanDerWaalsContact C-N 3.33Å; A120-S122 PolarHBondContact O-N 2.87Å; A120-F124 WeakPolarHBondContact O-CA 3.32Å; A120-F124 VanDerWaalsContact O-CB 3.32Å; A120-F124 WeakPolarHBondContact O-CB 3.47Å; A120-F124 PolarHBondContact O-N 3.21Å |
| 121 | Y | 85.9 | Confident | 79 | Confident | 78 Ų | 78 | 69.5 Ų | 69.5 | 31% | 0.306 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 175.4 | 179.9 | -104.3 | 0 | 0 | 0 | 112.3 | R63 L67 E117 V118 S127 | R63-Y121 HydrophobicContact CG-CD1 4.08Å; R63-Y121 HydrophobicContact CG-CE1 3.27Å; R63-Y121 VanDerWaalsContact NE-CE1 3.29Å; R63-Y121 PolarHBondContact NE-O 3.19Å; L67-Y121 HydrophobicContact CB-CE1 3.96Å; L67-Y121 HydrophobicContact CD1-CE1 4.48Å; L67-Y121 HydrophobicContact CD2-CD1 4.04Å; L67-Y121 HydrophobicContact CD2-CE1 4.33Å; L67-Y121 HydrophobicContact CG-CE1 4.49Å; E117-Y121 WeakPolarHBondContact O-CB 3.15Å; E117-Y121 PolarHBondContact O-N 3.22Å; V118-Y121 PolarHBondContact O-N 2.84Å; Y121-S127 PolarHBondContact O-OG 3.21Å |
| 122 | S | 82.9 | Confident | 77.8 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.9 | -49.6 | 178.9 | -64 | 0 | 0 | 0 | 0 | 112.3 | V118 A119 A120 S127 | V118-S122 VanDerWaalsContact O-CB 3.24Å; V118-S122 WeakPolarHBondContact O-CB 3.48Å; V118-S122 PolarHBondContact O-N 2.92Å; V118-S122 PolarHBondContact O-OG 3.1Å; A119-S122 PolarHBondContact O-N 3.47Å; A120-S122 VanDerWaalsContact C-N 3.33Å; A120-S122 PolarHBondContact O-N 2.87Å; S122-S127 WeakPolarHBondContact O-CB 3.31Å; S122-S127 PolarHBondContact O-OG 3.1Å |
| 123 | Y | 81.5 | Confident | 76.8 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 28% | 0.275 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -95.9 | 8.5 | -173.7 | -68.1 | -69.9 | 0 | 0 | 0 | 114.1 | M1 S11 M12 V15 A119 Y125 | M1-Y123 HydrophobicContact CE-CD1 3.71Å; M1-Y123 HydrophobicContact CE-CG 4.13Å; M1-Y123 WeakPolarHBondContact CE-O 3.48Å; S11-Y123 VanDerWaalsContact C-OH 3.28Å; S11-Y123 PolarHBondContact O-OH 3.36Å; M12-Y123 PolarHBondContact N-OH 2.91Å; V15-Y123 HydrophobicContact CG2-CE2 4.16Å; A119-Y123 WeakPolarHBondContact O-CB 3.41Å; A119-Y123 WeakPolarHBondContact O-CD2 3.22Å; A119-Y123 PolarHBondContact O-N 3.39Å; Y123-Y125 PolarHBondContact O-N 3.19Å |
| 124 | F | 83.2 | Confident | 75.1 | Confident | 119 Ų | 119 | 74.2 Ų | 74.2 | 52% | 0.522 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -55.8 | 140 | 171 | -171.3 | -108.6 | 0 | 0 | 0 | 110 | A120 G126 S127 | A120-F124 WeakPolarHBondContact O-CA 3.32Å; A120-F124 VanDerWaalsContact O-CB 3.32Å; A120-F124 WeakPolarHBondContact O-CB 3.47Å; A120-F124 PolarHBondContact O-N 3.21Å; F124-G126 PolarHBondContact O-N 3.44Å; F124-S127 VanDerWaalsContact O-CB 3.24Å; F124-S127 WeakPolarHBondContact O-CB 3.17Å; F124-S127 PolarHBondContact O-N 3.21Å; F124-S127 PolarHBondContact O-OG 3.04Å; F124-S127 VanDerWaalsContact O-OG 3.12Å |
| 125 | Y | 73.1 | Confident | 73.3 | Confident | 164 Ų | 164 | 76.1 Ų | 76.1 | 64% | 0.643 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -55 | -35.9 | -172.4 | 106.5 | -82.2 | 0 | 0 | 0 | 112.5 | Y123 S127 S128 L129 | Y123-Y125 PolarHBondContact O-N 3.19Å; Y125-S127 PolarHBondContact O-N 3.41Å; Y125-S128 PolarHBondContact O-N 3.19Å; Y125-L129 HydrophobicContact CD2-CD1 3.55Å; Y125-L129 HydrophobicContact CD2-CG 4.25Å; Y125-L129 HydrophobicContact CE2-CD1 3.34Å; Y125-L129 HydrophobicContact CE2-CG 4.43Å |
| 126 | G | 72.2 | Confident | 71.1 | Confident | 30 Ų | 30 | 85 Ų | 85 | 31% | 0.309 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -63.6 | -21.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F124 | F124-G126 PolarHBondContact O-N 3.44Š|
| 127 | S | 69.8 | Low | 70.3 | Confident | 12 Ų | 12 | 82.4 Ų | 82.4 | 8% | 0.084 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -72.5 | -33.7 | 172.3 | -46.4 | 0 | 0 | 0 | 0 | 112.6 | R63 Y121 S122 F124 Y125 | R63-S127 PolarHBondContact NH1-OG 3.41Å; Y121-S127 PolarHBondContact O-OG 3.21Å; S122-S127 WeakPolarHBondContact O-CB 3.31Å; S122-S127 PolarHBondContact O-OG 3.1Å; F124-S127 VanDerWaalsContact O-CB 3.24Å; F124-S127 WeakPolarHBondContact O-CB 3.17Å; F124-S127 PolarHBondContact O-N 3.21Å; F124-S127 PolarHBondContact O-OG 3.04Å; F124-S127 VanDerWaalsContact O-OG 3.12Å; Y125-S127 PolarHBondContact O-N 3.41Å |
| 128 | S | 66.3 | Low | 69.4 | Low | 52 Ų | 52 | 80.7 Ų | 80.7 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -4.6 | -168.8 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | Y125 | Y125-S128 PolarHBondContact O-N 3.19Š|
| 129 | L | 64.3 | Low | 68.4 | Low | 94 Ų | 94 | 85.1 Ų | 85.1 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 11.1 | -177.9 | -64 | -175.3 | 0 | 0 | 0 | 113.9 | Y125 G131 Q133 | Y125-L129 HydrophobicContact CD2-CD1 3.55Å; Y125-L129 HydrophobicContact CD2-CG 4.25Å; Y125-L129 HydrophobicContact CE2-CD1 3.34Å; Y125-L129 HydrophobicContact CE2-CG 4.43Å; L129-G131 PolarHBondContact O-N 3.35Å; L129-Q133 PolarHBondContact O-NE2 3.37Å |
| 130 | V | 61.9 | Low | 67.4 | Low | 85 Ų | 85 | 88.5 Ų | 88.5 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -92.4 | 92.2 | 178.1 | -171.2 | 0 | 0 | 0 | 0 | 108.7 | V59 | V59-V130 HydrophobicContact CG1-CB 3.99Å; V59-V130 HydrophobicContact CG1-CG1 4.27Å; V59-V130 HydrophobicContact CG1-CG2 4.25Å; V59-V130 HydrophobicContact CG2-CB 4.2Å; V59-V130 HydrophobicContact CG2-CG1 4.04Å |
| 131 | G | 60.5 | Low | 66.1 | Low | 37 Ų | 37 | 90.3 Ų | 90.3 | 38% | 0.381 | 48% | 0.484 | S | S | . | . | S | Bend | trans | 142 | 164.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L129 Q133 | L129-G131 PolarHBondContact O-N 3.35Å; G131-Q133 PolarHBondContact O-N 2.77Å; G131-Q133 PolarHBondContact O-NE2 3.1Å; G131-Q133 PolarHBondContact O-OE1 3.06Å; G131-Q133 VanDerWaalsContact O-OE1 3.1Å |
| 132 | P | 57.5 | Low | 64.7 | Low | 111 Ų | 111 | 91.1 Ų | 91.1 | 72% | 0.721 | 50% | 0.496 | S | S | * | . | trans | -60.8 | 118.9 | 174.7 | -17 | 29.8 | 0 | 0 | 0 | 110.1 | V134 | P132-V134 HydrophobicContact CB-CG2 3.91Å; P132-V134 PolarHBondContact O-N 3.19Å | ||
| 133 | Q | 59.5 | Low | 63.4 | Low | 120 Ų | 120 | 97.4 Ų | 97.4 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | trans | -84.1 | 9.9 | 173.1 | -59.5 | 80.8 | 4.9 | 0 | 0 | 112.5 | L129 G131 C135 | L129-Q133 PolarHBondContact O-NE2 3.37Å; G131-Q133 PolarHBondContact O-N 2.77Å; G131-Q133 PolarHBondContact O-NE2 3.1Å; G131-Q133 PolarHBondContact O-OE1 3.06Å; G131-Q133 VanDerWaalsContact O-OE1 3.1Å; Q133-C135 VanDerWaalsContact C-N 3.28Å; Q133-C135 PolarHBondContact O-N 2.89Å | ||
| 134 | V | 50.6 | Low | 62.1 | Low | 120 Ų | 120 | 99.5 Ų | 99.5 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | trans | -72.7 | 89.5 | 175.4 | -63.6 | 0 | 0 | 0 | 0 | 108.1 | P132 E136 | P132-V134 HydrophobicContact CB-CG2 3.91Å; P132-V134 PolarHBondContact O-N 3.19Å; V134-E136 PolarHBondContact O-N 3.28Å | ||
| 135 | C | 49 | Very low | 60.3 | Low | 91 Ų | 91 | 97.8 Ų | 97.8 | 62% | 0.615 | 55% | 0.551 | S | S | * | * | trans | -64.1 | 108.2 | 147.3 | -65.3 | 0 | 0 | 0 | 0 | 105 | Q133 | Q133-C135 VanDerWaalsContact C-N 3.28Å; Q133-C135 PolarHBondContact O-N 2.89Å | ||
| 136 | E | 38.9 | Very low | 59.1 | Low | 258 Ų | 258 | 91.8 Ų | 91.8 | 100% | 1.206 | 54% | 0.543 | S | S | * | . | trans | -76.4 | 0 | 160.5 | -160.1 | 159.9 | 169.4 | 0 | 0 | 109.5 | V134 | V134-E136 PolarHBondContact O-N 3.28Š|
Retrieved 136 of 136 residues in 34.7 ms
(Link to these results)