| 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 | 48.9 | Very low | 72.2 | Confident | 198 Ų | 198 | 82.5 Ų | 82.5 | 98% | 0.975 | 49% | 0.494 | S | S | * | . | 0 | -24.2 | 0 | -127.2 | 172.4 | -86.8 | 0 | 0 | 114.4 | |||||
| 2 | A | 56.5 | Low | 73.4 | Confident | 83 Ų | 83 | 86.9 Ų | 86.9 | 69% | 0.686 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.3 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I4 K5 A6 | A2-I4 PolarHBondContact O-N 2.98Å; A2-K5 PolarHBondContact O-N 3.06Å; A2-A6 PolarHBondContact O-N 3.47Å |
| 3 | G | 64.1 | Low | 74.3 | Confident | 33 Ų | 33 | 82.7 Ų | 82.7 | 34% | 0.34 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A6 L7 | G3-A6 PolarHBondContact O-N 3.27Å; G3-L7 WeakPolarHBondContact O-CB 3.42Å; G3-L7 WeakPolarHBondContact O-CG 3.45Å; G3-L7 PolarHBondContact O-N 3.4Å |
| 4 | I | 74.8 | Confident | 74.8 | Confident | 113 Ų | 113 | 77.7 Ų | 77.7 | 58% | 0.579 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -67 | -42.7 | 179.2 | -65 | 160.1 | 0 | 0 | 0 | 110.8 | A2 A6 L7 V8 | A2-I4 PolarHBondContact O-N 2.98Å; I4-A6 VanDerWaalsContact C-N 3.3Å; I4-A6 PolarHBondContact O-N 3.47Å; I4-L7 PolarHBondContact O-N 3.24Å; I4-V8 VanDerWaalsContact O-CG2 3.29Å; I4-V8 WeakPolarHBondContact O-CG2 3.18Å; I4-V8 PolarHBondContact O-N 3.15Å |
| 5 | K | 70.4 | Confident | 75.5 | Confident | 164 Ų | 164 | 76.1 Ų | 76.1 | 71% | 0.713 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.4 | -38.8 | 178 | -63.6 | -174.2 | 178.2 | -171.8 | 0 | 111.3 | A2 G9 | A2-K5 PolarHBondContact O-N 3.06Å; K5-G9 PolarHBondContact O-N 3.33Å |
| 6 | A | 74.9 | Confident | 76.2 | Confident | 27 Ų | 27 | 76.4 Ų | 76.4 | 22% | 0.223 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A2 G3 I4 V8 G9 L10 I118 | A2-A6 PolarHBondContact O-N 3.47Å; G3-A6 PolarHBondContact O-N 3.27Å; I4-A6 VanDerWaalsContact C-N 3.3Å; I4-A6 PolarHBondContact O-N 3.47Å; A6-V8 VanDerWaalsContact C-N 3.32Å; A6-V8 PolarHBondContact O-N 3.17Å; A6-G9 PolarHBondContact O-N 3.37Å; A6-G9 VanDerWaalsContact O-N 3.17Å; A6-L10 VanDerWaalsContact O-CG 3.26Å; A6-L10 WeakPolarHBondContact O-CG 3.38Å; A6-L10 PolarHBondContact O-N 3.02Å; A6-I118 HydrophobicContact CB-CD1 4.09Å; A6-I118 HydrophobicContact CB-CG2 4.12Å |
| 7 | L | 76 | Confident | 76.6 | Confident | 83 Ų | 83 | 71.9 Ų | 71.9 | 44% | 0.435 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58 | -42.9 | 174.5 | -85.8 | 158.7 | 0 | 0 | 0 | 112.4 | G3 I4 L10 S11 F119 | G3-L7 WeakPolarHBondContact O-CB 3.42Å; G3-L7 WeakPolarHBondContact O-CG 3.45Å; G3-L7 PolarHBondContact O-N 3.4Å; I4-L7 PolarHBondContact O-N 3.24Å; L7-L10 PolarHBondContact O-N 3.14Å; L7-S11 PolarHBondContact O-N 3.41Å; L7-S11 PolarHBondContact O-OG 2.77Å; L7-F119 HydrophobicContact CD1-CZ 3.95Å; L7-F119 HydrophobicContact CD2-CE2 4.2Å; L7-F119 HydrophobicContact CD2-CZ 4.06Å; L7-F119 HydrophobicContact CG-CE2 4.15Å; L7-F119 HydrophobicContact CG-CZ 3.8Å |
| 8 | V | 83.4 | Confident | 76.6 | Confident | 71 Ų | 71 | 71.8 Ų | 71.8 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 176.1 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | I4 A6 L10 S11 F12 | I4-V8 VanDerWaalsContact O-CG2 3.29Å; I4-V8 WeakPolarHBondContact O-CG2 3.18Å; I4-V8 PolarHBondContact O-N 3.15Å; A6-V8 VanDerWaalsContact C-N 3.32Å; A6-V8 PolarHBondContact O-N 3.17Å; V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 2.93Å; V8-S11 PolarHBondContact O-N 3.34Å; V8-S11 PolarHBondContact O-OG 3.02Å; V8-F12 HydrophobicContact CG1-CD2 3.74Å; V8-F12 HydrophobicContact CG1-CE2 3.71Å; V8-F12 VanDerWaalsContact O-CD2 3.27Å; V8-F12 WeakPolarHBondContact O-CD2 3.41Å; V8-F12 PolarHBondContact O-N 3.42Å; V8-F12 VanDerWaalsContact O-N 3.08Å |
| 9 | G | 82.8 | Confident | 76.9 | Confident | 43 Ų | 43 | 71.9 Ų | 71.9 | 44% | 0.443 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K5 A6 F12 S13 | K5-G9 PolarHBondContact O-N 3.33Å; A6-G9 PolarHBondContact O-N 3.37Å; A6-G9 VanDerWaalsContact O-N 3.17Å; G9-F12 PolarHBondContact O-N 3.5Å; G9-S13 PolarHBondContact O-N 3.41Å; G9-S13 PolarHBondContact O-OG 3.28Å |
| 10 | L | 79 | Confident | 76.8 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 178.3 | -68.7 | 167.8 | 0 | 0 | 0 | 112.5 | A6 L7 V8 S13 G14 T111 F115 I118 F119 | A6-L10 VanDerWaalsContact O-CG 3.26Å; A6-L10 WeakPolarHBondContact O-CG 3.38Å; A6-L10 PolarHBondContact O-N 3.02Å; L7-L10 PolarHBondContact O-N 3.14Å; V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 2.93Å; L10-S13 WeakPolarHBondContact CA-OG 2.88Å; L10-S13 PolarHBondContact O-OG 3.29Å; L10-G14 PolarHBondContact O-N 2.7Å; L10-T111 HydrophobicContact CB-CG2 4.17Å; L10-T111 HydrophobicContact CD2-CG2 3.94Å; L10-T111 WeakPolarHBondContact CD2-O 3.09Å; L10-T111 WeakPolarHBondContact O-CG2 3.08Å; L10-F115 HydrophobicContact CD1-CB 4.15Å; L10-F115 HydrophobicContact CD1-CD2 4.08Å; L10-I118 HydrophobicContact CD1-CD1 4.06Å; L10-I118 HydrophobicContact CG-CD1 4.46Å; L10-F119 HydrophobicContact CD1-CE2 4.46Å |
| 11 | S | 83.4 | Confident | 76.7 | Confident | 71 Ų | 71 | 70 Ų | 70 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 177.6 | 68.6 | 0 | 0 | 0 | 0 | 111.9 | L7 V8 G14 A15 | L7-S11 PolarHBondContact O-N 3.41Å; L7-S11 PolarHBondContact O-OG 2.77Å; V8-S11 PolarHBondContact O-N 3.34Å; V8-S11 PolarHBondContact O-OG 3.02Å; S11-G14 PolarHBondContact O-N 2.74Å; S11-A15 WeakPolarHBondContact O-CB 3.37Å; S11-A15 PolarHBondContact O-N 3.08Å |
| 12 | F | 86.6 | Confident | 77.8 | Confident | 135 Ų | 135 | 66 Ų | 66 | 59% | 0.592 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.2 | -44.4 | 174 | -87.6 | -74.7 | 0 | 0 | 0 | 112 | V8 G9 A15 I16 | V8-F12 HydrophobicContact CG1-CD2 3.74Å; V8-F12 HydrophobicContact CG1-CE2 3.71Å; V8-F12 VanDerWaalsContact O-CD2 3.27Å; V8-F12 WeakPolarHBondContact O-CD2 3.41Å; V8-F12 PolarHBondContact O-N 3.42Å; V8-F12 VanDerWaalsContact O-N 3.08Å; G9-F12 PolarHBondContact O-N 3.5Å; F12-A15 PolarHBondContact O-N 2.88Å; F12-I16 WeakPolarHBondContact O-CD1 3.25Å; F12-I16 VanDerWaalsContact O-CG1 3.23Å; F12-I16 WeakPolarHBondContact O-CG1 3.19Å; F12-I16 PolarHBondContact O-N 3.42Å |
| 13 | S | 84.9 | Confident | 78.4 | Confident | 32 Ų | 32 | 67.1 Ų | 67.1 | 22% | 0.224 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 177.1 | 65.2 | 0 | 0 | 0 | 0 | 112 | G9 L10 I16 G17 V107 T111 | G9-S13 PolarHBondContact O-N 3.41Å; G9-S13 PolarHBondContact O-OG 3.28Å; L10-S13 WeakPolarHBondContact CA-OG 2.88Å; L10-S13 PolarHBondContact O-OG 3.29Å; S13-I16 PolarHBondContact O-N 2.85Å; S13-G17 PolarHBondContact O-N 3.07Å; S13-V107 VanDerWaalsContact O-CG1 3.29Å; S13-V107 WeakPolarHBondContact O-CG1 3.5Å; S13-T111 WeakPolarHBondContact CB-OG1 3.32Å; S13-T111 WeakPolarHBondContact OG-CG2 3.4Å; S13-T111 PolarHBondContact OG-OG1 3.44Å |
| 14 | G | 82.2 | Confident | 78.6 | Confident | 13 Ų | 13 | 66 Ų | 66 | 13% | 0.134 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L10 S11 I16 G17 L18 | L10-G14 PolarHBondContact O-N 2.7Å; S11-G14 PolarHBondContact O-N 2.74Å; G14-I16 PolarHBondContact O-N 3.44Å; G14-G17 PolarHBondContact O-N 3.27Å; G14-L18 WeakPolarHBondContact O-CG 3.47Å; G14-L18 PolarHBondContact O-N 2.86Å |
| 15 | A | 85 | Confident | 77.9 | Confident | 54 Ų | 54 | 62.6 Ų | 62.6 | 45% | 0.446 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S11 F12 L18 T19 | S11-A15 WeakPolarHBondContact O-CB 3.37Å; S11-A15 PolarHBondContact O-N 3.08Å; F12-A15 PolarHBondContact O-N 2.88Å; A15-L18 PolarHBondContact O-N 3.4Å; A15-T19 PolarHBondContact O-N 2.92Å; A15-T19 PolarHBondContact O-OG1 3.26Å |
| 16 | I | 86.1 | Confident | 77.3 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 41% | 0.41 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 175.5 | -70.2 | 165.8 | 0 | 0 | 0 | 110.5 | F12 S13 G14 L18 T19 F20 | F12-I16 WeakPolarHBondContact O-CD1 3.25Å; F12-I16 VanDerWaalsContact O-CG1 3.23Å; F12-I16 WeakPolarHBondContact O-CG1 3.19Å; F12-I16 PolarHBondContact O-N 3.42Å; S13-I16 PolarHBondContact O-N 2.85Å; G14-I16 PolarHBondContact O-N 3.44Å; I16-L18 PolarHBondContact O-N 3.29Å; I16-T19 WeakPolarHBondContact CA-OG1 3.23Å; I16-T19 PolarHBondContact O-N 2.99Å; I16-T19 PolarHBondContact O-OG1 3.41Å; I16-T19 VanDerWaalsContact O-OG1 3.09Å; I16-F20 HydrophobicContact CG2-CD2 3.63Å; I16-F20 HydrophobicContact CG2-CE2 3.46Å; I16-F20 VanDerWaalsContact CG2-CE2 3.46Å; I16-F20 WeakPolarHBondContact O-CD2 3.34Å; I16-F20 PolarHBondContact O-N 3.04Å |
| 17 | G | 82.6 | Confident | 76.4 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.5 | -44 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S13 G14 F20 L21 | S13-G17 PolarHBondContact O-N 3.07Å; G14-G17 PolarHBondContact O-N 3.27Å; G17-F20 PolarHBondContact O-N 3.32Å; G17-L21 WeakPolarHBondContact O-CB 3.42Å; G17-L21 PolarHBondContact O-N 3.34Å |
| 18 | L | 76.6 | Confident | 75 | Confident | 71 Ų | 71 | 67.6 Ų | 67.6 | 37% | 0.372 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 176 | -71.6 | 172.7 | 0 | 0 | 0 | 112.5 | G14 A15 I16 L21 L22 I108 | G14-L18 WeakPolarHBondContact O-CG 3.47Å; G14-L18 PolarHBondContact O-N 2.86Å; A15-L18 PolarHBondContact O-N 3.4Å; I16-L18 PolarHBondContact O-N 3.29Å; L18-L21 PolarHBondContact O-N 3.27Å; L18-L22 WeakPolarHBondContact O-CB 3.24Å; L18-L22 WeakPolarHBondContact O-CG 3.29Å; L18-L22 PolarHBondContact O-N 3.4Å; L18-I108 HydrophobicContact CD2-CD1 4.37Å |
| 19 | T | 82.2 | Confident | 73.2 | Confident | 73 Ų | 73 | 71.1 Ų | 71.1 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 176.5 | 14.1 | 0 | 0 | 0 | 0 | 111.6 | A15 I16 L21 L22 L23 | A15-T19 PolarHBondContact O-N 2.92Å; A15-T19 PolarHBondContact O-OG1 3.26Å; I16-T19 WeakPolarHBondContact CA-OG1 3.23Å; I16-T19 PolarHBondContact O-N 2.99Å; I16-T19 PolarHBondContact O-OG1 3.41Å; I16-T19 VanDerWaalsContact O-OG1 3.09Å; T19-L21 VanDerWaalsContact C-N 3.29Å; T19-L21 PolarHBondContact O-N 2.77Å; T19-L22 PolarHBondContact O-N 2.77Å; T19-L23 VanDerWaalsContact O-CD1 3.25Å; T19-L23 WeakPolarHBondContact O-CD1 3.35Å; T19-L23 PolarHBondContact O-N 2.65Å |
| 20 | F | 76.3 | Confident | 71.6 | Confident | 83 Ų | 83 | 70.1 Ų | 70.1 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 173.4 | -81.6 | -66.7 | 0 | 0 | 0 | 112.2 | I16 G17 G24 L100 | I16-F20 HydrophobicContact CG2-CD2 3.63Å; I16-F20 HydrophobicContact CG2-CE2 3.46Å; I16-F20 VanDerWaalsContact CG2-CE2 3.46Å; I16-F20 WeakPolarHBondContact O-CD2 3.34Å; I16-F20 PolarHBondContact O-N 3.04Å; G17-F20 PolarHBondContact O-N 3.32Å; F20-G24 PolarHBondContact O-N 3.34Å; F20-G24 VanDerWaalsContact O-N 3.08Å; F20-L100 HydrophobicContact CD1-CD2 3.81Å; F20-L100 HydrophobicContact CD1-CG 4.05Å |
| 21 | L | 73.6 | Confident | 69.8 | Low | 22 Ų | 22 | 72.1 Ų | 72.1 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 175.8 | -154.8 | 78.7 | 0 | 0 | 0 | 111.7 | G17 L18 T19 G24 C25 V101 | G17-L21 WeakPolarHBondContact O-CB 3.42Å; G17-L21 PolarHBondContact O-N 3.34Å; L18-L21 PolarHBondContact O-N 3.27Å; T19-L21 VanDerWaalsContact C-N 3.29Å; T19-L21 PolarHBondContact O-N 2.77Å; L21-G24 PolarHBondContact O-N 3.44Å; L21-C25 PolarHBondContact O-N 2.95Å; L21-V101 HydrophobicContact CD1-CG1 4.04Å |
| 22 | L | 71.9 | Confident | 68.1 | Low | 114 Ų | 114 | 70.9 Ų | 70.9 | 60% | 0.597 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.2 | -40.8 | 177.4 | -74.8 | 173.9 | 0 | 0 | 0 | 112.3 | L18 T19 G24 C25 A26 | L18-L22 WeakPolarHBondContact O-CB 3.24Å; L18-L22 WeakPolarHBondContact O-CG 3.29Å; L18-L22 PolarHBondContact O-N 3.4Å; T19-L22 PolarHBondContact O-N 2.77Å; L22-G24 VanDerWaalsContact C-N 3.27Å; L22-G24 PolarHBondContact O-N 3.48Å; L22-C25 CarbonylContact O-C 3.55Å; L22-C25 PolarHBondContact O-N 3.42Å; L22-A26 VanDerWaalsContact O-CB 3.23Å; L22-A26 WeakPolarHBondContact O-CB 3.35Å; L22-A26 PolarHBondContact O-N 3.24Å |
| 23 | L | 70.3 | Confident | 66.2 | Low | 106 Ų | 106 | 73.5 Ų | 73.5 | 56% | 0.555 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.3 | -35.3 | 174.5 | -97.1 | 72.6 | 0 | 0 | 0 | 111.9 | T19 C25 L100 | T19-L23 VanDerWaalsContact O-CD1 3.25Å; T19-L23 WeakPolarHBondContact O-CD1 3.35Å; T19-L23 PolarHBondContact O-N 2.65Å; L23-C25 PolarHBondContact O-N 3.3Å; L23-L100 HydrophobicContact CB-CD2 3.63Å; L23-L100 HydrophobicContact CD2-CD2 4.41Å |
| 24 | G | 67.5 | Low | 64.4 | Low | 8 Ų | 8 | 79.5 Ų | 79.5 | 8% | 0.082 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.7 | -25.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F20 L21 L22 | F20-G24 PolarHBondContact O-N 3.34Å; F20-G24 VanDerWaalsContact O-N 3.08Å; L21-G24 PolarHBondContact O-N 3.44Å; L22-G24 VanDerWaalsContact C-N 3.27Å; L22-G24 PolarHBondContact O-N 3.48Å |
| 25 | C | 60.8 | Low | 62.8 | Low | 43 Ų | 43 | 80.3 Ų | 80.3 | 29% | 0.291 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -97.1 | -30.4 | -179.1 | -118.8 | 0 | 0 | 0 | 0 | 114.1 | L21 L22 L23 L27 P35 | L21-C25 PolarHBondContact O-N 2.95Å; L22-C25 CarbonylContact O-C 3.55Å; L22-C25 PolarHBondContact O-N 3.42Å; L23-C25 PolarHBondContact O-N 3.3Å; C25-L27 VanDerWaalsContact C-N 3.34Å; C25-P35 WeakPolarHBondContact SG-CG 3.39Å |
| 26 | A | 57.2 | Low | 61.3 | Low | 84 Ų | 84 | 82.5 Ų | 82.5 | 69% | 0.694 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -83.3 | -7.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L22 E28 | L22-A26 VanDerWaalsContact O-CB 3.23Å; L22-A26 WeakPolarHBondContact O-CB 3.35Å; L22-A26 PolarHBondContact O-N 3.24Å; A26-E28 PolarHBondContact O-N 3.03Å |
| 27 | L | 55.2 | Low | 59.7 | Low | 93 Ų | 93 | 84 Ų | 84 | 49% | 0.487 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -71.2 | 116.4 | 172.6 | -152.9 | 77.8 | 0 | 0 | 0 | 108.6 | C25 Q29 Y30 | C25-L27 VanDerWaalsContact C-N 3.34Å; L27-Q29 PolarHBondContact O-N 2.93Å; L27-Y30 HydrophobicContact CB-CD2 4.46Å; L27-Y30 PolarHBondContact O-N 3.46Å |
| 28 | E | 46.8 | Very low | 58.3 | Low | 201 Ų | 201 | 84.6 Ų | 84.6 | 94% | 0.939 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -9.2 | -166.8 | -171.2 | 149.7 | 66.4 | 0 | 0 | 116.5 | A26 Y30 | A26-E28 PolarHBondContact O-N 3.03Å; E28-Y30 VanDerWaalsContact C-N 3.33Å |
| 29 | Q | 46.4 | Very low | 57.3 | Low | 145 Ų | 145 | 84.8 Ų | 84.8 | 68% | 0.678 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -7.5 | 172.4 | -128.7 | 152.9 | -31.9 | 0 | 0 | 114 | L27 | L27-Q29 PolarHBondContact O-N 2.93Š|
| 30 | Y | 49.3 | Very low | 56 | Low | 22 Ų | 22 | 85.2 Ų | 85.2 | 9% | 0.086 | 44% | 0.441 | C | S | . | . | trans | -114.5 | 69.6 | -176.2 | -69.3 | -70.3 | 0 | 0 | 0 | 113.2 | L27 E28 V32 T92 I93 Q94 A97 | L27-Y30 HydrophobicContact CB-CD2 4.46Å; L27-Y30 PolarHBondContact O-N 3.46Å; E28-Y30 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 3.18Å; Y30-T92 VanDerWaalsContact CE1-C 3.41Å; Y30-T92 WeakPolarHBondContact CE1-O 3.27Å; Y30-T92 PolarHBondContact OH-O 3.41Å; Y30-I93 HydrophobicContact CD1-CB 4.45Å; Y30-I93 HydrophobicContact CD1-CD1 4.49Å; Y30-I93 HydrophobicContact CD1-CG1 3.57Å; Y30-I93 HydrophobicContact CE1-CB 3.67Å; Y30-I93 HydrophobicContact CE1-CD1 4.47Å; Y30-I93 HydrophobicContact CE1-CG1 3.19Å; Y30-I93 HydrophobicContact CE1-CG2 4.11Å; Y30-I93 VanDerWaalsContact OH-C 3.24Å; Y30-I93 WeakPolarHBondContact OH-CA 3.48Å; Y30-Q94 PolarHBondContact OH-N 2.91Å; Y30-A97 HydrophobicContact CE2-CB 4.2Å | ||
| 31 | G | 41.7 | Very low | 54.7 | Low | 64 Ų | 64 | 83.6 Ų | 83.6 | 66% | 0.66 | 43% | 0.434 | S | S | * | . | trans | -69.1 | 44 | 164 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 32 | V | 46.9 | Very low | 53.7 | Low | 45 Ų | 45 | 85.9 Ų | 85.9 | 27% | 0.273 | 44% | 0.442 | S | S | . | . | trans | -127.6 | 99.9 | -177.6 | -155.4 | 0 | 0 | 0 | 0 | 110.6 | Y30 W34 P35 L87 T92 | Y30-V32 PolarHBondContact O-N 3.18Å; V32-W34 HydrophobicContact CG1-CB 3.92Å; V32-W34 HydrophobicContact CG1-CG 4.34Å; V32-W34 PolarHBondContact O-N 2.76Å; V32-P35 WeakPolarHBondContact O-CD 3.45Å; V32-L87 HydrophobicContact CG1-CD2 4.2Å; V32-T92 HydrophobicContact CG2-CG2 4.2Å | ||
| 33 | Y | 47.8 | Very low | 52.8 | Low | 191 Ų | 191 | 85.7 Ų | 85.7 | 75% | 0.749 | 45% | 0.445 | S | S | * | . | trans | -69.3 | 8.8 | 176.5 | -51.6 | -89.2 | 0 | 0 | 0 | 114.4 | P35 L36 | Y33-P35 VanDerWaalsContact C-CD 3.48Å; Y33-L36 WeakPolarHBondContact O-CB 3.39Å; Y33-L36 PolarHBondContact O-N 3.49Å | ||
| 34 | W | 45.3 | Very low | 51.9 | Low | 157 Ų | 157 | 83.3 Ų | 83.3 | 60% | 0.595 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -64.8 | -35.8 | -177.1 | -107.7 | 73.8 | 0 | 0 | 0 | 116.1 | V32 L36 F37 L83 | V32-W34 HydrophobicContact CG1-CB 3.92Å; V32-W34 HydrophobicContact CG1-CG 4.34Å; V32-W34 PolarHBondContact O-N 2.76Å; W34-L36 PolarHBondContact O-N 2.95Å; W34-F37 VanDerWaalsContact O-CB 3.31Å; W34-F37 WeakPolarHBondContact O-CB 3.49Å; W34-F37 PolarHBondContact O-N 3.01Å; W34-L83 HydrophobicContact CB-CD2 4.2Å; W34-L83 HydrophobicContact CD2-CD2 4.08Å; W34-L83 HydrophobicContact CE3-CD1 3.37Å; W34-L83 HydrophobicContact CE3-CD2 3.18Å; W34-L83 HydrophobicContact CE3-CG 3.45Å; W34-L83 VanDerWaalsContact CE3-CG 3.45Å; W34-L83 HydrophobicContact CZ3-CD1 3.39Å; W34-L83 HydrophobicContact CZ3-CD2 3.74Å; W34-L83 HydrophobicContact CZ3-CG 3.48Å; W34-L83 VanDerWaalsContact CZ3-CG 3.48Å |
| 35 | P | 49.6 | Very low | 51.1 | Low | 31 Ų | 31 | 85.2 Ų | 85.2 | 20% | 0.201 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -70.1 | -10.9 | 176.6 | 28.6 | -32.6 | 0 | 0 | 0 | 112.7 | C25 V32 Y33 F37 V38 | C25-P35 WeakPolarHBondContact SG-CG 3.39Å; V32-P35 WeakPolarHBondContact O-CD 3.45Å; Y33-P35 VanDerWaalsContact C-CD 3.48Å; P35-F37 PolarHBondContact O-N 3.29Å; P35-V38 VanDerWaalsContact O-CB 3.29Å; P35-V38 WeakPolarHBondContact O-CB 3.29Å; P35-V38 PolarHBondContact O-N 3.04Å |
| 36 | L | 53.1 | Low | 50.5 | Low | 99 Ų | 99 | 86.1 Ų | 86.1 | 52% | 0.518 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -67 | -12.5 | 169.1 | -125.2 | 158.2 | 0 | 0 | 0 | 112.1 | Y33 W34 V38 L39 | Y33-L36 WeakPolarHBondContact O-CB 3.39Å; Y33-L36 PolarHBondContact O-N 3.49Å; W34-L36 PolarHBondContact O-N 2.95Å; L36-V38 VanDerWaalsContact C-N 3.27Å; L36-V38 PolarHBondContact O-N 3.49Å; L36-L39 HydrophobicContact CD2-CB 4.15Å; L36-L39 HydrophobicContact CD2-CD1 3.55Å; L36-L39 HydrophobicContact CG-CD1 4.08Å; L36-L39 VanDerWaalsContact O-CB 3.27Å; L36-L39 WeakPolarHBondContact O-CB 3.2Å; L36-L39 PolarHBondContact O-N 3.03Å |
| 37 | F | 52.2 | Low | 50.4 | Low | 111 Ų | 111 | 85.5 Ų | 85.5 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.7 | -24.3 | 168.4 | -149.6 | -88.7 | 0 | 0 | 0 | 112.4 | W34 P35 L39 I40 F41 | W34-F37 VanDerWaalsContact O-CB 3.31Å; W34-F37 WeakPolarHBondContact O-CB 3.49Å; W34-F37 PolarHBondContact O-N 3.01Å; P35-F37 PolarHBondContact O-N 3.29Å; F37-L39 PolarHBondContact O-N 2.92Å; F37-I40 HydrophobicContact CD2-CD1 3.83Å; F37-I40 HydrophobicContact CE2-CD1 3.94Å; F37-I40 HydrophobicContact CG-CD1 4.31Å; F37-I40 HydrophobicContact CZ-CD1 4.5Å; F37-I40 WeakPolarHBondContact O-CB 3.49Å; F37-I40 PolarHBondContact O-N 3.39Å; F37-F41 HydrophobicContact CD1-CD2 4.12Å; F37-F41 AromaticContact CD1-CE2 3.69Å; F37-F41 HydrophobicContact CD1-CE2 3.69Å; F37-F41 HydrophobicContact CE1-CD2 4.46Å; F37-F41 AromaticContact CE1-CE2 3.73Å; F37-F41 HydrophobicContact CE1-CE2 3.73Å; F37-F41 HydrophobicContact CE1-CZ 4.11Å; F37-F41 PolarHBondContact O-N 3.05Å |
| 38 | V | 54 | Low | 50 | Low | 13 Ų | 13 | 84 Ų | 84 | 8% | 0.079 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.7 | -29.5 | 171.9 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | P35 L36 F41 Y42 | P35-V38 VanDerWaalsContact O-CB 3.29Å; P35-V38 WeakPolarHBondContact O-CB 3.29Å; P35-V38 PolarHBondContact O-N 3.04Å; L36-V38 VanDerWaalsContact C-N 3.27Å; L36-V38 PolarHBondContact O-N 3.49Å; V38-F41 PolarHBondContact O-N 3.36Å; V38-Y42 PolarHBondContact O-N 2.99Å |
| 39 | L | 55.5 | Low | 50.3 | Low | 76 Ų | 76 | 78 Ų | 78 | 40% | 0.398 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 172.7 | -100.2 | 166.8 | 0 | 0 | 0 | 112.2 | L36 F37 F41 Y42 V43 | L36-L39 HydrophobicContact CD2-CB 4.15Å; L36-L39 HydrophobicContact CD2-CD1 3.55Å; L36-L39 HydrophobicContact CG-CD1 4.08Å; L36-L39 VanDerWaalsContact O-CB 3.27Å; L36-L39 WeakPolarHBondContact O-CB 3.2Å; L36-L39 PolarHBondContact O-N 3.03Å; F37-L39 PolarHBondContact O-N 2.92Å; L39-F41 VanDerWaalsContact C-N 3.26Å; L39-F41 PolarHBondContact O-N 3.44Å; L39-Y42 WeakPolarHBondContact O-CB 3.48Å; L39-Y42 PolarHBondContact O-N 2.96Å; L39-V43 WeakPolarHBondContact O-CG2 3.29Å; L39-V43 PolarHBondContact O-N 3.17Å |
| 40 | I | 54.2 | Low | 50.4 | Low | 81 Ų | 81 | 78.6 Ų | 78.6 | 42% | 0.415 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 171.7 | -68.8 | 170.5 | 0 | 0 | 0 | 109.7 | F37 Y42 V43 L44 | F37-I40 HydrophobicContact CD2-CD1 3.83Å; F37-I40 HydrophobicContact CE2-CD1 3.94Å; F37-I40 HydrophobicContact CG-CD1 4.31Å; F37-I40 HydrophobicContact CZ-CD1 4.5Å; F37-I40 WeakPolarHBondContact O-CB 3.49Å; F37-I40 PolarHBondContact O-N 3.39Å; I40-Y42 VanDerWaalsContact C-N 3.35Å; I40-Y42 PolarHBondContact O-N 3.41Å; I40-V43 CarbonylContact O-C 3.49Å; I40-V43 PolarHBondContact O-N 2.96Å; I40-L44 HydrophobicContact CG2-CD1 3.74Å; I40-L44 WeakPolarHBondContact O-CD1 3.46Å; I40-L44 PolarHBondContact O-N 2.99Å |
| 41 | F | 50.1 | Low | 50.5 | Low | 49 Ų | 49 | 79.4 Ų | 79.4 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -71.2 | -27.3 | 176.2 | -73.7 | -57.1 | 0 | 0 | 0 | 114.4 | F37 V38 L39 L44 S45 I76 | F37-F41 HydrophobicContact CD1-CD2 4.12Å; F37-F41 AromaticContact CD1-CE2 3.69Å; F37-F41 HydrophobicContact CD1-CE2 3.69Å; F37-F41 HydrophobicContact CE1-CD2 4.46Å; F37-F41 AromaticContact CE1-CE2 3.73Å; F37-F41 HydrophobicContact CE1-CE2 3.73Å; F37-F41 HydrophobicContact CE1-CZ 4.11Å; F37-F41 PolarHBondContact O-N 3.05Å; V38-F41 PolarHBondContact O-N 3.36Å; L39-F41 VanDerWaalsContact C-N 3.26Å; L39-F41 PolarHBondContact O-N 3.44Å; F41-L44 HydrophobicContact CD1-CD2 4.47Å; F41-L44 CarbonylContact O-C 3.58Å; F41-L44 PolarHBondContact O-N 3.34Å; F41-S45 PolarHBondContact O-N 3.39Å; F41-I76 HydrophobicContact CB-CD1 4.14Å; F41-I76 HydrophobicContact CB-CG1 4.3Å; F41-I76 HydrophobicContact CB-CG2 3.53Å; F41-I76 HydrophobicContact CD1-CB 4.24Å; F41-I76 HydrophobicContact CD1-CD1 3.11Å; F41-I76 HydrophobicContact CD1-CG1 3.2Å; F41-I76 HydrophobicContact CD1-CG2 4.07Å; F41-I76 HydrophobicContact CD2-CG1 4.24Å; F41-I76 HydrophobicContact CD2-CG2 4.06Å; F41-I76 HydrophobicContact CE1-CD1 3.57Å; F41-I76 HydrophobicContact CE1-CG1 3.3Å; F41-I76 HydrophobicContact CE2-CG1 4.32Å; F41-I76 HydrophobicContact CG-CB 4.25Å; F41-I76 HydrophobicContact CG-CD1 3.83Å; F41-I76 HydrophobicContact CG-CG1 3.67Å; F41-I76 HydrophobicContact CG-CG2 3.63Å; F41-I76 HydrophobicContact CZ-CG1 3.87Å |
| 42 | Y | 52.3 | Low | 50.6 | Low | 71 Ų | 71 | 79.5 Ų | 79.5 | 28% | 0.278 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.6 | -39 | 166.5 | -114.3 | -100.9 | 0 | 0 | 0 | 112.6 | V38 L39 I40 L44 S45 I108 I112 | V38-Y42 PolarHBondContact O-N 2.99Å; L39-Y42 WeakPolarHBondContact O-CB 3.48Å; L39-Y42 PolarHBondContact O-N 2.96Å; I40-Y42 VanDerWaalsContact C-N 3.35Å; I40-Y42 PolarHBondContact O-N 3.41Å; Y42-L44 PolarHBondContact O-N 3.44Å; Y42-S45 WeakPolarHBondContact O-CB 3.23Å; Y42-S45 PolarHBondContact O-N 3.3Å; Y42-I108 HydrophobicContact CD2-CG2 4.29Å; Y42-I108 HydrophobicContact CE2-CB 4.49Å; Y42-I108 HydrophobicContact CE2-CG2 3.12Å; Y42-I108 VanDerWaalsContact CZ-CG2 3.43Å; Y42-I108 WeakPolarHBondContact OH-CG2 3.16Å; Y42-I112 HydrophobicContact CE2-CD1 3.79Å |
| 43 | V | 53.1 | Low | 50.6 | Low | 109 Ų | 109 | 88 Ų | 88 | 66% | 0.661 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -72.2 | -18.8 | 173 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | L39 I40 P46 | L39-V43 WeakPolarHBondContact O-CG2 3.29Å; L39-V43 PolarHBondContact O-N 3.17Å; I40-V43 CarbonylContact O-C 3.49Å; I40-V43 PolarHBondContact O-N 2.96Å; V43-P46 WeakPolarHBondContact O-CD 3.14Å; V43-P46 WeakPolarHBondContact O-CG 3.34Å |
| 44 | L | 50.5 | Low | 50.5 | Low | 57 Ų | 57 | 88.1 Ų | 88.1 | 30% | 0.298 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -86 | -9.8 | 166 | -89 | 86.6 | 0 | 0 | 0 | 113.4 | I40 F41 Y42 P46 I47 L72 | I40-L44 HydrophobicContact CG2-CD1 3.74Å; I40-L44 WeakPolarHBondContact O-CD1 3.46Å; I40-L44 PolarHBondContact O-N 2.99Å; F41-L44 HydrophobicContact CD1-CD2 4.47Å; F41-L44 CarbonylContact O-C 3.58Å; F41-L44 PolarHBondContact O-N 3.34Å; Y42-L44 PolarHBondContact O-N 3.44Å; L44-P46 VanDerWaalsContact C-N 3.31Å; L44-P46 WeakPolarHBondContact O-CD 3.38Å; L44-I47 HydrophobicContact CB-CD1 3.74Å; L44-I47 HydrophobicContact CB-CG1 4.42Å; L44-I47 HydrophobicContact CD2-CD1 3.48Å; L44-I47 VanDerWaalsContact CD2-CD1 3.48Å; L44-I47 HydrophobicContact CG-CD1 3.44Å; L44-I47 VanDerWaalsContact CG-CD1 3.44Å; L44-I47 HydrophobicContact CG-CG1 4.46Å; L44-I47 WeakPolarHBondContact O-CB 3.49Å; L44-I47 WeakPolarHBondContact O-CG1 3.34Å; L44-I47 PolarHBondContact O-N 2.96Å; L44-L72 HydrophobicContact CD2-CD2 4.25Å |
| 45 | S | 51.8 | Low | 50.6 | Low | 47 Ų | 47 | 85.2 Ų | 85.2 | 33% | 0.329 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21 | 170 | -170.3 | 0 | 0 | 0 | 0 | 116.4 | F41 Y42 I47 P48 T49 | F41-S45 PolarHBondContact O-N 3.39Å; Y42-S45 WeakPolarHBondContact O-CB 3.23Å; Y42-S45 PolarHBondContact O-N 3.3Å; S45-I47 PolarHBondContact O-N 3.09Å; S45-P48 VanDerWaalsContact O-CD 3.24Å; S45-P48 WeakPolarHBondContact O-CD 3.27Å; S45-P48 VanDerWaalsContact O-CG 3.25Å; S45-P48 WeakPolarHBondContact O-CG 3.47Å; S45-T49 PolarHBondContact O-OG1 2.9Å |
| 46 | P | 48.7 | Very low | 50.5 | Low | 62 Ų | 62 | 89.3 Ų | 89.3 | 40% | 0.403 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -76.1 | -4 | 168.7 | 23 | -17 | 0 | 0 | 0 | 113.5 | V43 L44 T49 F50 | V43-P46 WeakPolarHBondContact O-CD 3.14Å; V43-P46 WeakPolarHBondContact O-CG 3.34Å; L44-P46 VanDerWaalsContact C-N 3.31Å; L44-P46 WeakPolarHBondContact O-CD 3.38Å; P46-T49 WeakPolarHBondContact CA-OG1 3.35Å; P46-T49 CarbonylContact O-C 3.6Å; P46-T49 PolarHBondContact O-N 3.35Å; P46-F50 WeakPolarHBondContact O-CB 3.36Å; P46-F50 PolarHBondContact O-N 3.03Å |
| 47 | I | 53.7 | Low | 50.2 | Low | 71 Ų | 71 | 90.9 Ų | 90.9 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.5 | -48.6 | 174.8 | -67.1 | 176.3 | 0 | 0 | 0 | 112.2 | L44 S45 T49 F50 I51 | L44-I47 HydrophobicContact CB-CD1 3.74Å; L44-I47 HydrophobicContact CB-CG1 4.42Å; L44-I47 HydrophobicContact CD2-CD1 3.48Å; L44-I47 VanDerWaalsContact CD2-CD1 3.48Å; L44-I47 HydrophobicContact CG-CD1 3.44Å; L44-I47 VanDerWaalsContact CG-CD1 3.44Å; L44-I47 HydrophobicContact CG-CG1 4.46Å; L44-I47 WeakPolarHBondContact O-CB 3.49Å; L44-I47 WeakPolarHBondContact O-CG1 3.34Å; L44-I47 PolarHBondContact O-N 2.96Å; S45-I47 PolarHBondContact O-N 3.09Å; I47-T49 PolarHBondContact O-N 3.03Å; I47-F50 PolarHBondContact O-N 3.24Å; I47-F50 VanDerWaalsContact O-N 3.16Å; I47-I51 HydrophobicContact CG2-CD1 3.57Å; I47-I51 HydrophobicContact CG2-CG1 4.43Å; I47-I51 WeakPolarHBondContact O-CB 3.49Å; I47-I51 WeakPolarHBondContact O-CD1 3.47Å; I47-I51 VanDerWaalsContact O-CG1 3.28Å; I47-I51 WeakPolarHBondContact O-CG1 3.32Å; I47-I51 PolarHBondContact O-N 3.24Å |
| 48 | P | 46.9 | Very low | 49.9 | Very low | 63 Ų | 63 | 90.8 Ų | 90.8 | 41% | 0.409 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.4 | -30.9 | 172.9 | 17.9 | -29.5 | 0 | 0 | 0 | 112.9 | S45 I51 S52 | S45-P48 VanDerWaalsContact O-CD 3.24Å; S45-P48 WeakPolarHBondContact O-CD 3.27Å; S45-P48 VanDerWaalsContact O-CG 3.25Å; S45-P48 WeakPolarHBondContact O-CG 3.47Å; P48-I51 PolarHBondContact O-N 3.48Å; P48-S52 WeakPolarHBondContact O-CB 3.03Å; P48-S52 PolarHBondContact O-N 2.9Å; P48-S52 PolarHBondContact O-OG 3.08Å |
| 49 | T | 52.6 | Low | 49.9 | Very low | 75 Ų | 75 | 97.8 Ų | 97.8 | 46% | 0.46 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74 | -30 | 175.4 | -19 | 0 | 0 | 0 | 0 | 113.1 | S45 P46 I47 S52 R53 | S45-T49 PolarHBondContact O-OG1 2.9Å; P46-T49 WeakPolarHBondContact CA-OG1 3.35Å; P46-T49 CarbonylContact O-C 3.6Å; P46-T49 PolarHBondContact O-N 3.35Å; I47-T49 PolarHBondContact O-N 3.03Å; T49-S52 PolarHBondContact O-OG 3.4Å; T49-R53 PolarHBondContact O-N 2.94Å |
| 50 | F | 49.7 | Very low | 49.7 | Very low | 156 Ų | 156 | 99.3 Ų | 99.3 | 68% | 0.684 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -74.2 | -35.9 | 171.1 | -117.1 | -87.1 | 0 | 0 | 0 | 111.6 | P46 I47 R53 R54 | P46-F50 WeakPolarHBondContact O-CB 3.36Å; P46-F50 PolarHBondContact O-N 3.03Å; I47-F50 PolarHBondContact O-N 3.24Å; I47-F50 VanDerWaalsContact O-N 3.16Å; F50-R53 PolarHBondContact O-N 3.26Å; F50-R54 PolarHBondContact O-N 3.22Å; F50-R54 VanDerWaalsContact O-N 3.16Å |
| 51 | I | 51.2 | Low | 49.5 | Very low | 40 Ų | 40 | 98.9 Ų | 98.9 | 21% | 0.205 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -69.8 | -42 | 176.8 | -72.7 | 162.6 | 0 | 0 | 0 | 110.5 | I47 P48 R53 R54 L55 A69 | I47-I51 HydrophobicContact CG2-CD1 3.57Å; I47-I51 HydrophobicContact CG2-CG1 4.43Å; I47-I51 WeakPolarHBondContact O-CB 3.49Å; I47-I51 WeakPolarHBondContact O-CD1 3.47Å; I47-I51 VanDerWaalsContact O-CG1 3.28Å; I47-I51 WeakPolarHBondContact O-CG1 3.32Å; I47-I51 PolarHBondContact O-N 3.24Å; P48-I51 PolarHBondContact O-N 3.48Å; I51-R53 VanDerWaalsContact C-N 3.27Å; I51-R53 PolarHBondContact O-N 2.82Å; I51-R54 CarbonylContact O-C 3.47Å; I51-R54 PolarHBondContact O-N 2.93Å; I51-R54 VanDerWaalsContact O-N 3.12Å; I51-L55 HydrophobicContact CG2-CD1 3.74Å; I51-L55 WeakPolarHBondContact O-CB 3.41Å; I51-L55 WeakPolarHBondContact O-CD1 3.35Å; I51-L55 PolarHBondContact O-N 2.87Å; I51-A69 HydrophobicContact CD1-CB 4.44Å |
| 52 | S | 43.2 | Very low | 49.8 | Very low | 66 Ų | 66 | 98.2 Ų | 98.2 | 46% | 0.462 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -30.5 | 175.2 | 68 | 0 | 0 | 0 | 0 | 113.2 | P48 T49 L55 | P48-S52 WeakPolarHBondContact O-CB 3.03Å; P48-S52 PolarHBondContact O-N 2.9Å; P48-S52 PolarHBondContact O-OG 3.08Å; T49-S52 PolarHBondContact O-OG 3.4Å; S52-L55 WeakPolarHBondContact O-CB 3.13Å |
| 53 | R | 47.1 | Very low | 50 | Low | 222 Ų | 222 | 100 Ų | 100 | 84% | 0.838 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -79.6 | -21.5 | 173.9 | -83.9 | 177.5 | 73.8 | 126.7 | -2.5 | 114.3 | T49 F50 I51 | T49-R53 PolarHBondContact O-N 2.94Å; F50-R53 PolarHBondContact O-N 3.26Å; I51-R53 VanDerWaalsContact C-N 3.27Å; I51-R53 PolarHBondContact O-N 2.82Å |
| 54 | R | 46.8 | Very low | 50.3 | Low | 195 Ų | 195 | 97.7 Ų | 97.7 | 74% | 0.736 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -89.5 | -12.5 | 171.6 | -90.1 | -75.3 | -171 | 170.4 | 0.6 | 112.9 | F50 I51 S56 | F50-R54 PolarHBondContact O-N 3.22Å; F50-R54 VanDerWaalsContact O-N 3.16Å; I51-R54 CarbonylContact O-C 3.47Å; I51-R54 PolarHBondContact O-N 2.93Å; I51-R54 VanDerWaalsContact O-N 3.12Å; R54-S56 VanDerWaalsContact C-N 3.27Å; R54-S56 PolarHBondContact O-N 3.23Å |
| 55 | L | 47.3 | Very low | 50.6 | Low | 95 Ų | 95 | 97.2 Ų | 97.2 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -17.7 | -176.9 | -130.6 | 80.1 | 0 | 0 | 0 | 114.7 | I51 S52 D57 | I51-L55 HydrophobicContact CG2-CD1 3.74Å; I51-L55 WeakPolarHBondContact O-CB 3.41Å; I51-L55 WeakPolarHBondContact O-CD1 3.35Å; I51-L55 PolarHBondContact O-N 2.87Å; S52-L55 WeakPolarHBondContact O-CB 3.13Å; L55-D57 PolarHBondContact O-N 3.33Å |
| 56 | S | 47.6 | Very low | 50.9 | Low | 118 Ų | 118 | 101.7 Ų | 101.7 | 83% | 0.825 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -3.4 | 179.6 | -70.1 | 0 | 0 | 0 | 0 | 114.6 | R54 | R54-S56 VanDerWaalsContact C-N 3.27Å; R54-S56 PolarHBondContact O-N 3.23Å |
| 57 | D | 46.2 | Very low | 51.7 | Low | 131 Ų | 131 | 105.3 Ų | 105.3 | 70% | 0.701 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -121.1 | -17.8 | -165 | -148.4 | -124.4 | 0 | 0 | 0 | 116.7 | L55 | L55-D57 PolarHBondContact O-N 3.33Š|
| 58 | D | 46.3 | Very low | 52.1 | Low | 110 Ų | 110 | 107.3 Ų | 107.3 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | trans | -150.9 | 107.5 | -172.6 | -145.9 | 79.9 | 0 | 0 | 0 | 115.8 | S60 | D58-S60 PolarHBondContact O-N 3.5Š| ||
| 59 | D | 54 | Low | 52.8 | Low | 159 Ų | 159 | 105.5 Ų | 105.5 | 85% | 0.85 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -23.6 | -169.5 | -117.7 | -82.8 | 0 | 0 | 0 | 115.1 | ||
| 60 | S | 50.9 | Low | 53.5 | Low | 109 Ų | 109 | 107.4 Ų | 107.4 | 76% | 0.762 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -23.2 | -171.9 | -160.4 | 0 | 0 | 0 | 0 | 114.7 | D58 S62 | D58-S60 PolarHBondContact O-N 3.5Å; S60-S62 VanDerWaalsContact C-N 3.34Å |
| 61 | S | 50.3 | Low | 54.4 | Low | 72 Ų | 72 | 107.4 Ų | 107.4 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | -14.6 | 174.5 | -168.4 | 0 | 0 | 0 | 0 | 112.7 | N63 A64 C65 | S61-N63 PolarHBondContact O-N 3.38Å; S61-A64 PolarHBondContact O-N 2.89Å; S61-C65 WeakPolarHBondContact O-CB 3.26Å; S61-C65 PolarHBondContact O-N 3.47Å; S61-C65 VanDerWaalsContact O-N 3.14Å |
| 62 | S | 55.4 | Low | 55.2 | Low | 34 Ų | 34 | 109.3 Ų | 109.3 | 24% | 0.238 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -61.5 | -40 | -171 | -160.5 | 0 | 0 | 0 | 0 | 113.9 | S60 R66 | S60-S62 VanDerWaalsContact C-N 3.34Å; S62-R66 WeakPolarHBondContact O-CB 3.24Å; S62-R66 PolarHBondContact O-N 3.43Å; S62-R66 VanDerWaalsContact O-N 3.12Å |
| 63 | N | 57.3 | Low | 56.3 | Low | 109 Ų | 109 | 109.5 Ų | 109.5 | 58% | 0.583 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72 | -45.7 | -178.3 | -65 | -48.6 | 0 | 0 | 0 | 112.5 | S61 R66 E67 | S61-N63 PolarHBondContact O-N 3.38Å; N63-R66 PolarHBondContact O-N 2.81Å; N63-E67 WeakPolarHBondContact O-CB 3.17Å; N63-E67 VanDerWaalsContact O-CG 3.27Å; N63-E67 WeakPolarHBondContact O-CG 3.29Å; N63-E67 PolarHBondContact O-N 3.48Å |
| 64 | A | 58 | Low | 57.5 | Low | 60 Ų | 60 | 102.8 Ų | 102.8 | 50% | 0.496 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.3 | -38.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S61 L68 | S61-A64 PolarHBondContact O-N 2.89Å; A64-L68 WeakPolarHBondContact O-CB 3.4Å; A64-L68 PolarHBondContact O-N 2.93Å |
| 65 | C | 56.9 | Low | 58.8 | Low | 48 Ų | 48 | 95.4 Ų | 95.4 | 32% | 0.324 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.2 | -37.7 | 178 | -162.3 | 0 | 0 | 0 | 0 | 111.8 | S61 L68 A69 | S61-C65 WeakPolarHBondContact O-CB 3.26Å; S61-C65 PolarHBondContact O-N 3.47Å; S61-C65 VanDerWaalsContact O-N 3.14Å; C65-L68 PolarHBondContact O-N 3.39Å; C65-A69 WeakPolarHBondContact O-CB 3.21Å; C65-A69 PolarHBondContact O-N 3.1Å |
| 66 | R | 57.9 | Low | 60 | Low | 140 Ų | 140 | 92 Ų | 92 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 175.1 | -177.3 | 174.7 | 174.7 | -164 | -3.5 | 112.1 | S62 N63 A69 Y70 | S62-R66 WeakPolarHBondContact O-CB 3.24Å; S62-R66 PolarHBondContact O-N 3.43Å; S62-R66 VanDerWaalsContact O-N 3.12Å; N63-R66 PolarHBondContact O-N 2.81Å; R66-A69 PolarHBondContact O-N 3.25Å; R66-Y70 HydrophobicContact CG-CD2 3.96Å; R66-Y70 HydrophobicContact CG-CE2 3.45Å; R66-Y70 VanDerWaalsContact CG-CE2 3.45Å; R66-Y70 PolarHBondContact NE-OH 2.76Å; R66-Y70 WeakPolarHBondContact O-CD2 3.35Å; R66-Y70 PolarHBondContact O-N 3.4Å |
| 67 | E | 65.5 | Low | 61.2 | Low | 139 Ų | 139 | 88.3 Ų | 88.3 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 173.9 | -75.7 | -178.5 | 165.1 | 0 | 0 | 111.9 | N63 A69 Y70 F71 | N63-E67 WeakPolarHBondContact O-CB 3.17Å; N63-E67 VanDerWaalsContact O-CG 3.27Å; N63-E67 WeakPolarHBondContact O-CG 3.29Å; N63-E67 PolarHBondContact O-N 3.48Å; E67-A69 PolarHBondContact O-N 3.22Å; E67-Y70 PolarHBondContact O-N 2.91Å; E67-F71 WeakPolarHBondContact O-CB 3.01Å; E67-F71 PolarHBondContact O-N 3.09Å |
| 68 | L | 62.8 | Low | 62.8 | Low | 112 Ų | 112 | 87 Ų | 87 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 173.4 | -91.5 | 171.8 | 0 | 0 | 0 | 112.4 | A64 C65 F71 L72 | A64-L68 WeakPolarHBondContact O-CB 3.4Å; A64-L68 PolarHBondContact O-N 2.93Å; C65-L68 PolarHBondContact O-N 3.39Å; L68-F71 PolarHBondContact O-N 3.04Å; L68-L72 WeakPolarHBondContact O-CB 3.41Å; L68-L72 PolarHBondContact O-N 3.04Å |
| 69 | A | 62 | Low | 64.1 | Low | 25 Ų | 25 | 84.4 Ų | 84.4 | 21% | 0.207 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62 | -46.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I51 C65 R66 E67 F71 L72 T73 | I51-A69 HydrophobicContact CD1-CB 4.44Å; C65-A69 WeakPolarHBondContact O-CB 3.21Å; C65-A69 PolarHBondContact O-N 3.1Å; R66-A69 PolarHBondContact O-N 3.25Å; E67-A69 PolarHBondContact O-N 3.22Å; A69-F71 PolarHBondContact O-N 3.25Å; A69-L72 PolarHBondContact O-N 2.88Å; A69-T73 WeakPolarHBondContact O-CB 3.32Å; A69-T73 PolarHBondContact O-N 3.18Å; A69-T73 PolarHBondContact O-OG1 3.12Å |
| 70 | Y | 67.3 | Low | 64.9 | Low | 116 Ų | 116 | 77 Ų | 77 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 175.2 | -70.2 | -55.5 | 0 | 0 | 0 | 112.6 | R66 E67 L72 T73 T74 | R66-Y70 HydrophobicContact CG-CD2 3.96Å; R66-Y70 HydrophobicContact CG-CE2 3.45Å; R66-Y70 VanDerWaalsContact CG-CE2 3.45Å; R66-Y70 PolarHBondContact NE-OH 2.76Å; R66-Y70 WeakPolarHBondContact O-CD2 3.35Å; R66-Y70 PolarHBondContact O-N 3.4Å; E67-Y70 PolarHBondContact O-N 2.91Å; Y70-L72 VanDerWaalsContact C-N 3.33Å; Y70-L72 PolarHBondContact O-N 3.47Å; Y70-T73 PolarHBondContact O-N 3.36Å; Y70-T74 WeakPolarHBondContact O-CB 3.31Å; Y70-T74 VanDerWaalsContact O-CG2 3.31Å; Y70-T74 WeakPolarHBondContact O-CG2 3.41Å; Y70-T74 PolarHBondContact O-N 3.22Å; Y70-T74 PolarHBondContact O-OG1 3.03Å |
| 71 | F | 69.3 | Low | 66 | Low | 155 Ų | 155 | 74.4 Ų | 74.4 | 68% | 0.68 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 176 | -173.6 | -98.5 | 0 | 0 | 0 | 111.7 | E67 L68 A69 T74 G75 | E67-F71 WeakPolarHBondContact O-CB 3.01Å; E67-F71 PolarHBondContact O-N 3.09Å; L68-F71 PolarHBondContact O-N 3.04Å; A69-F71 PolarHBondContact O-N 3.25Å; F71-T74 PolarHBondContact O-OG1 3.37Å; F71-G75 PolarHBondContact O-N 3.45Å |
| 72 | L | 68.1 | Low | 67 | Low | 81 Ų | 81 | 72.5 Ų | 72.5 | 42% | 0.424 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.9 | -46.3 | 178.9 | -153.4 | 118.1 | 0 | 0 | 0 | 110.8 | L44 L68 A69 Y70 T74 G75 I76 | L44-L72 HydrophobicContact CD2-CD2 4.25Å; L68-L72 WeakPolarHBondContact O-CB 3.41Å; L68-L72 PolarHBondContact O-N 3.04Å; A69-L72 PolarHBondContact O-N 2.88Å; Y70-L72 VanDerWaalsContact C-N 3.33Å; Y70-L72 PolarHBondContact O-N 3.47Å; L72-T74 PolarHBondContact O-N 2.88Å; L72-G75 PolarHBondContact O-N 2.94Å; L72-I76 HydrophobicContact CD2-CD1 3.68Å; L72-I76 HydrophobicContact CG-CD1 4.36Å; L72-I76 WeakPolarHBondContact O-CB 3.48Å; L72-I76 WeakPolarHBondContact O-CD1 3.17Å; L72-I76 WeakPolarHBondContact O-CG1 3.29Å; L72-I76 PolarHBondContact O-N 3.32Å |
| 73 | T | 66.3 | Low | 67.7 | Low | 70 Ų | 70 | 72.2 Ų | 72.2 | 43% | 0.429 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 112 | A69 Y70 I76 V77 | A69-T73 WeakPolarHBondContact O-CB 3.32Å; A69-T73 PolarHBondContact O-N 3.18Å; A69-T73 PolarHBondContact O-OG1 3.12Å; Y70-T73 PolarHBondContact O-N 3.36Å; T73-I76 WeakPolarHBondContact O-CB 3.29Å; T73-I76 PolarHBondContact O-N 3.37Å; T73-V77 WeakPolarHBondContact O-CG2 3.11Å; T73-V77 PolarHBondContact O-N 3.33Å |
| 74 | T | 72.3 | Confident | 68.1 | Low | 80 Ų | 80 | 67.5 Ų | 67.5 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 177 | 52.1 | 0 | 0 | 0 | 0 | 112 | Y70 F71 L72 I76 V77 V78 | Y70-T74 WeakPolarHBondContact O-CB 3.31Å; Y70-T74 VanDerWaalsContact O-CG2 3.31Å; Y70-T74 WeakPolarHBondContact O-CG2 3.41Å; Y70-T74 PolarHBondContact O-N 3.22Å; Y70-T74 PolarHBondContact O-OG1 3.03Å; F71-T74 PolarHBondContact O-OG1 3.37Å; L72-T74 PolarHBondContact O-N 2.88Å; T74-I76 VanDerWaalsContact C-N 3.3Å; T74-I76 PolarHBondContact O-N 2.92Å; T74-V77 PolarHBondContact O-N 3.35Å; T74-V78 WeakPolarHBondContact O-CB 3.29Å; T74-V78 VanDerWaalsContact O-CG2 3.3Å; T74-V78 WeakPolarHBondContact O-CG2 3.15Å; T74-V78 PolarHBondContact O-N 3.26Å |
| 75 | G | 73.3 | Confident | 68.7 | Low | 40 Ų | 40 | 69 Ų | 69 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | F71 L72 S79 | F71-G75 PolarHBondContact O-N 3.45Å; L72-G75 PolarHBondContact O-N 2.94Å; G75-S79 WeakPolarHBondContact O-CB 3.45Å; G75-S79 PolarHBondContact O-N 3.49Å |
| 76 | I | 71.6 | Confident | 69.3 | Low | 23 Ų | 23 | 71.3 Ų | 71.3 | 12% | 0.118 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64 | -49.1 | 174.9 | -70.1 | 170.5 | 0 | 0 | 0 | 111.3 | F41 L72 T73 T74 V78 S79 S80 | F41-I76 HydrophobicContact CB-CD1 4.14Å; F41-I76 HydrophobicContact CB-CG1 4.3Å; F41-I76 HydrophobicContact CB-CG2 3.53Å; F41-I76 HydrophobicContact CD1-CB 4.24Å; F41-I76 HydrophobicContact CD1-CD1 3.11Å; F41-I76 HydrophobicContact CD1-CG1 3.2Å; F41-I76 HydrophobicContact CD1-CG2 4.07Å; F41-I76 HydrophobicContact CD2-CG1 4.24Å; F41-I76 HydrophobicContact CD2-CG2 4.06Å; F41-I76 HydrophobicContact CE1-CD1 3.57Å; F41-I76 HydrophobicContact CE1-CG1 3.3Å; F41-I76 HydrophobicContact CE2-CG1 4.32Å; F41-I76 HydrophobicContact CG-CB 4.25Å; F41-I76 HydrophobicContact CG-CD1 3.83Å; F41-I76 HydrophobicContact CG-CG1 3.67Å; F41-I76 HydrophobicContact CG-CG2 3.63Å; F41-I76 HydrophobicContact CZ-CG1 3.87Å; L72-I76 HydrophobicContact CD2-CD1 3.68Å; L72-I76 HydrophobicContact CG-CD1 4.36Å; L72-I76 WeakPolarHBondContact O-CB 3.48Å; L72-I76 WeakPolarHBondContact O-CD1 3.17Å; L72-I76 WeakPolarHBondContact O-CG1 3.29Å; L72-I76 PolarHBondContact O-N 3.32Å; T73-I76 WeakPolarHBondContact O-CB 3.29Å; T73-I76 PolarHBondContact O-N 3.37Å; T74-I76 VanDerWaalsContact C-N 3.3Å; T74-I76 PolarHBondContact O-N 2.92Å; I76-V78 PolarHBondContact O-N 3.05Å; I76-S79 PolarHBondContact O-N 3.4Å; I76-S80 WeakPolarHBondContact O-CB 3.44Å; I76-S80 PolarHBondContact O-N 2.88Å; I76-S80 PolarHBondContact O-OG 3.28Å |
| 77 | V | 74.4 | Confident | 69.6 | Low | 42 Ų | 42 | 66.3 Ų | 66.3 | 26% | 0.255 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.9 | -51.7 | 179.3 | 174.7 | 0 | 0 | 0 | 0 | 109.6 | T73 T74 S79 S80 F81 F109 | T73-V77 WeakPolarHBondContact O-CG2 3.11Å; T73-V77 PolarHBondContact O-N 3.33Å; T74-V77 PolarHBondContact O-N 3.35Å; V77-S79 VanDerWaalsContact C-N 3.34Å; V77-S79 PolarHBondContact O-N 3.42Å; V77-S80 WeakPolarHBondContact O-CB 3.26Å; V77-S80 PolarHBondContact O-N 3.49Å; V77-F81 HydrophobicContact CG1-CD2 3.97Å; V77-F81 HydrophobicContact CG1-CE2 3.8Å; V77-F81 WeakPolarHBondContact O-CD2 3.47Å; V77-F81 PolarHBondContact O-N 3.41Å; V77-F109 HydrophobicContact CB-CE1 4.12Å; V77-F109 HydrophobicContact CB-CE2 4.41Å; V77-F109 HydrophobicContact CB-CZ 3.99Å; V77-F109 HydrophobicContact CG1-CD2 4.32Å; V77-F109 HydrophobicContact CG1-CE1 4.44Å; V77-F109 HydrophobicContact CG1-CE2 4.05Å; V77-F109 HydrophobicContact CG1-CZ 4.14Å; V77-F109 HydrophobicContact CG2-CD1 3.72Å; V77-F109 HydrophobicContact CG2-CE1 3.33Å; V77-F109 HydrophobicContact CG2-CE2 4.38Å; V77-F109 HydrophobicContact CG2-CG 4.42Å; V77-F109 HydrophobicContact CG2-CZ 3.73Å |
| 78 | V | 79.3 | Confident | 69.6 | Low | 104 Ų | 104 | 60.1 Ų | 60.1 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.7 | -43.1 | 179.8 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | T74 I76 S80 F81 G82 | T74-V78 WeakPolarHBondContact O-CB 3.29Å; T74-V78 VanDerWaalsContact O-CG2 3.3Å; T74-V78 WeakPolarHBondContact O-CG2 3.15Å; T74-V78 PolarHBondContact O-N 3.26Å; I76-V78 PolarHBondContact O-N 3.05Å; V78-S80 PolarHBondContact O-N 2.99Å; V78-F81 PolarHBondContact O-N 2.95Å; V78-G82 PolarHBondContact O-N 2.9Å |
| 79 | S | 73.7 | Confident | 69.8 | Low | 55 Ų | 55 | 65.4 Ų | 65.4 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 177.6 | -169.9 | 0 | 0 | 0 | 0 | 112 | G75 I76 V77 F81 G82 L83 | G75-S79 WeakPolarHBondContact O-CB 3.45Å; G75-S79 PolarHBondContact O-N 3.49Å; I76-S79 PolarHBondContact O-N 3.4Å; V77-S79 VanDerWaalsContact C-N 3.34Å; V77-S79 PolarHBondContact O-N 3.42Å; S79-F81 PolarHBondContact O-N 3.01Å; S79-G82 PolarHBondContact O-N 3.3Å; S79-L83 WeakPolarHBondContact O-CB 3.31Å; S79-L83 PolarHBondContact O-N 3.37Å; S79-L83 VanDerWaalsContact O-N 3.12Å |
| 80 | S | 70.7 | Confident | 69.9 | Low | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.8 | -30.7 | 179.3 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | I76 V77 V78 P84 N105 | I76-S80 WeakPolarHBondContact O-CB 3.44Å; I76-S80 PolarHBondContact O-N 2.88Å; I76-S80 PolarHBondContact O-OG 3.28Å; V77-S80 WeakPolarHBondContact O-CB 3.26Å; V77-S80 PolarHBondContact O-N 3.49Å; V78-S80 PolarHBondContact O-N 2.99Å; S80-P84 WeakPolarHBondContact O-CD 3.48Å; S80-P84 WeakPolarHBondContact O-CG 3.01Å; S80-N105 PolarHBondContact O-ND2 3.07Å; S80-N105 VanDerWaalsContact O-ND2 3.1Å |
| 81 | F | 74.1 | Confident | 69.6 | Low | 54 Ų | 54 | 70 Ų | 70 | 24% | 0.237 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -89.7 | -34.8 | 175.4 | -70.9 | -67.1 | 0 | 0 | 0 | 113.4 | V77 V78 S79 P84 I85 M102 N105 F109 | V77-F81 HydrophobicContact CG1-CD2 3.97Å; V77-F81 HydrophobicContact CG1-CE2 3.8Å; V77-F81 WeakPolarHBondContact O-CD2 3.47Å; V77-F81 PolarHBondContact O-N 3.41Å; V78-F81 PolarHBondContact O-N 2.95Å; S79-F81 PolarHBondContact O-N 3.01Å; F81-P84 WeakPolarHBondContact O-CD 3.49Å; F81-P84 WeakPolarHBondContact O-CG 3.3Å; F81-I85 VanDerWaalsContact O-CD1 3.24Å; F81-I85 WeakPolarHBondContact O-CD1 3.31Å; F81-I85 VanDerWaalsContact O-CG1 3.29Å; F81-I85 WeakPolarHBondContact O-CG1 3.48Å; F81-M102 HydrophobicContact CD1-CE 4.22Å; F81-M102 HydrophobicContact CD1-SD 3.51Å; F81-M102 VanDerWaalsContact CD1-SD 3.51Å; F81-M102 HydrophobicContact CE1-SD 4.13Å; F81-N105 HydrophobicContact CD1-CB 4.46Å; F81-N105 HydrophobicContact CE1-CB 3.8Å; F81-N105 HydrophobicContact CZ-CB 4Å; F81-F109 HydrophobicContact CD2-CE2 4.25Å; F81-F109 AromaticContact CE2-CD2 3.65Å; F81-F109 HydrophobicContact CE2-CD2 3.65Å; F81-F109 AromaticContact CE2-CE2 3.54Å; F81-F109 HydrophobicContact CE2-CE2 3.54Å; F81-F109 AromaticContact CZ-CD2 3.82Å; F81-F109 HydrophobicContact CZ-CD2 3.82Å; F81-F109 AromaticContact CZ-CE2 3.97Å; F81-F109 HydrophobicContact CZ-CE2 3.97Å |
| 82 | G | 71.6 | Confident | 69.1 | Low | 32 Ų | 32 | 65.3 Ų | 65.3 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.5 | -36.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | V78 S79 I85 V86 | V78-G82 PolarHBondContact O-N 2.9Å; S79-G82 PolarHBondContact O-N 3.3Å; G82-I85 PolarHBondContact O-N 2.81Å; G82-V86 WeakPolarHBondContact O-CG2 3.38Å; G82-V86 PolarHBondContact O-N 3.33Å |
| 83 | L | 69.2 | Low | 68.8 | Low | 29 Ų | 29 | 62.6 Ų | 62.6 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.2 | -53.2 | -177.2 | -144.4 | 160.3 | 0 | 0 | 0 | 113.4 | W34 S79 I85 V86 L87 | W34-L83 HydrophobicContact CB-CD2 4.2Å; W34-L83 HydrophobicContact CD2-CD2 4.08Å; W34-L83 HydrophobicContact CE3-CD1 3.37Å; W34-L83 HydrophobicContact CE3-CD2 3.18Å; W34-L83 HydrophobicContact CE3-CG 3.45Å; W34-L83 VanDerWaalsContact CE3-CG 3.45Å; W34-L83 HydrophobicContact CZ3-CD1 3.39Å; W34-L83 HydrophobicContact CZ3-CD2 3.74Å; W34-L83 HydrophobicContact CZ3-CG 3.48Å; W34-L83 VanDerWaalsContact CZ3-CG 3.48Å; S79-L83 WeakPolarHBondContact O-CB 3.31Å; S79-L83 PolarHBondContact O-N 3.37Å; S79-L83 VanDerWaalsContact O-N 3.12Å; L83-I85 VanDerWaalsContact C-N 3.27Å; L83-I85 PolarHBondContact O-N 3.48Å; L83-V86 PolarHBondContact O-N 2.7Å; L83-L87 HydrophobicContact CD2-CD1 3.83Å; L83-L87 VanDerWaalsContact O-CD1 3.26Å; L83-L87 WeakPolarHBondContact O-CD1 3.21Å; L83-L87 PolarHBondContact O-N 3.18Å |
| 84 | P | 66.3 | Low | 68.9 | Low | 10 Ų | 10 | 64.8 Ų | 64.8 | 7% | 0.065 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.6 | -32.6 | 175.9 | 23.7 | -33.6 | 0 | 0 | 0 | 112.8 | S80 F81 L87 A88 V101 | S80-P84 WeakPolarHBondContact O-CD 3.48Å; S80-P84 WeakPolarHBondContact O-CG 3.01Å; F81-P84 WeakPolarHBondContact O-CD 3.49Å; F81-P84 WeakPolarHBondContact O-CG 3.3Å; P84-L87 PolarHBondContact O-N 3.37Å; P84-A88 WeakPolarHBondContact O-CB 3.34Å; P84-A88 PolarHBondContact O-N 2.9Å; P84-V101 HydrophobicContact CB-CG1 4.12Å; P84-V101 HydrophobicContact CG-CG1 4.22Å |
| 85 | I | 70.1 | Confident | 68.8 | Low | 91 Ų | 91 | 71.1 Ų | 71.1 | 47% | 0.467 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 177.9 | -69.3 | 168.9 | 0 | 0 | 0 | 111.5 | F81 G82 L83 R89 | F81-I85 VanDerWaalsContact O-CD1 3.24Å; F81-I85 WeakPolarHBondContact O-CD1 3.31Å; F81-I85 VanDerWaalsContact O-CG1 3.29Å; F81-I85 WeakPolarHBondContact O-CG1 3.48Å; G82-I85 PolarHBondContact O-N 2.81Å; L83-I85 VanDerWaalsContact C-N 3.27Å; L83-I85 PolarHBondContact O-N 3.48Å; I85-R89 PolarHBondContact O-N 3.29Å |
| 86 | V | 69.8 | Low | 68.6 | Low | 97 Ų | 97 | 71.7 Ų | 71.7 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -67.7 | -39.7 | 178.3 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | G82 L83 R89 N90 | G82-V86 WeakPolarHBondContact O-CG2 3.38Å; G82-V86 PolarHBondContact O-N 3.33Å; L83-V86 PolarHBondContact O-N 2.7Å; V86-R89 WeakPolarHBondContact O-CB 3.36Å; V86-R89 PolarHBondContact O-N 2.67Å; V86-N90 PolarHBondContact O-N 3.49Å |
| 87 | L | 64.3 | Low | 68.6 | Low | 34 Ų | 34 | 71.1 Ų | 71.1 | 18% | 0.178 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.7 | -34 | 177.7 | -89.2 | 74.9 | 0 | 0 | 0 | 113.1 | V32 L83 P84 R89 N90 T92 I93 | V32-L87 HydrophobicContact CG1-CD2 4.2Å; L83-L87 HydrophobicContact CD2-CD1 3.83Å; L83-L87 VanDerWaalsContact O-CD1 3.26Å; L83-L87 WeakPolarHBondContact O-CD1 3.21Å; L83-L87 PolarHBondContact O-N 3.18Å; P84-L87 PolarHBondContact O-N 3.37Å; L87-R89 VanDerWaalsContact C-N 3.27Å; L87-R89 PolarHBondContact O-N 2.84Å; L87-N90 PolarHBondContact O-N 3.17Å; L87-T92 PolarHBondContact O-N 3.48Å; L87-I93 HydrophobicContact CB-CD1 3.48Å; L87-I93 VanDerWaalsContact CB-CD1 3.48Å; L87-I93 HydrophobicContact CB-CG1 4.01Å; L87-I93 HydrophobicContact CD2-CD1 3.9Å; L87-I93 HydrophobicContact CG-CD1 4.36Å; L87-I93 PolarHBondContact O-N 3.37Å |
| 88 | A | 65.4 | Low | 68.4 | Low | 9 Ų | 9 | 69.7 Ų | 69.7 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P84 N90 S91 C98 | P84-A88 WeakPolarHBondContact O-CB 3.34Å; P84-A88 PolarHBondContact O-N 2.9Å; A88-N90 VanDerWaalsContact C-N 3.29Å; A88-N90 PolarHBondContact O-N 3.48Å; A88-S91 PolarHBondContact O-N 2.95Å; A88-C98 HydrophobicContact CB-CB 4.35Å |
| 89 | R | 65.9 | Low | 68.4 | Low | 223 Ų | 223 | 66.4 Ų | 66.4 | 84% | 0.842 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.9 | -28.4 | 177.7 | -151.5 | 173.2 | -143.4 | -99.9 | 0.6 | 113.2 | I85 V86 L87 S91 | I85-R89 PolarHBondContact O-N 3.29Å; V86-R89 WeakPolarHBondContact O-CB 3.36Å; V86-R89 PolarHBondContact O-N 2.67Å; L87-R89 VanDerWaalsContact C-N 3.27Å; L87-R89 PolarHBondContact O-N 2.84Å; R89-S91 PolarHBondContact O-N 2.96Å |
| 90 | N | 65.9 | Low | 68.6 | Low | 127 Ų | 127 | 66.5 Ų | 66.5 | 68% | 0.679 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 12.9 | 178.2 | -143.8 | 1.2 | 0 | 0 | 0 | 112.9 | V86 L87 A88 T92 | V86-N90 PolarHBondContact O-N 3.49Å; L87-N90 PolarHBondContact O-N 3.17Å; A88-N90 VanDerWaalsContact C-N 3.29Å; A88-N90 PolarHBondContact O-N 3.48Å; N90-T92 PolarHBondContact O-N 3.19Å; N90-T92 PolarHBondContact O-OG1 3.17Å |
| 91 | S | 59.8 | Low | 68.9 | Low | 111 Ų | 111 | 67.1 Ų | 67.1 | 78% | 0.776 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 17.3 | -174.2 | -57.4 | 0 | 0 | 0 | 0 | 114.1 | A88 R89 | A88-S91 PolarHBondContact O-N 2.95Å; R89-S91 PolarHBondContact O-N 2.96Å |
| 92 | T | 58.3 | Low | 69.2 | Low | 57 Ų | 57 | 67.9 Ų | 67.9 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -71 | -46.9 | 173.7 | -41.2 | 0 | 0 | 0 | 0 | 106.7 | Y30 V32 L87 N90 | Y30-T92 VanDerWaalsContact CE1-C 3.41Å; Y30-T92 WeakPolarHBondContact CE1-O 3.27Å; Y30-T92 PolarHBondContact OH-O 3.41Å; V32-T92 HydrophobicContact CG2-CG2 4.2Å; L87-T92 PolarHBondContact O-N 3.48Å; N90-T92 PolarHBondContact O-N 3.19Å; N90-T92 PolarHBondContact O-OG1 3.17Å |
| 93 | I | 63.1 | Low | 69.8 | Low | 23 Ų | 23 | 69.9 Ų | 69.9 | 12% | 0.118 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -96.1 | 125.7 | -177.6 | -58.1 | 171.6 | 0 | 0 | 0 | 115.6 | Y30 L87 A97 C98 | Y30-I93 HydrophobicContact CD1-CB 4.45Å; Y30-I93 HydrophobicContact CD1-CD1 4.49Å; Y30-I93 HydrophobicContact CD1-CG1 3.57Å; Y30-I93 HydrophobicContact CE1-CB 3.67Å; Y30-I93 HydrophobicContact CE1-CD1 4.47Å; Y30-I93 HydrophobicContact CE1-CG1 3.19Å; Y30-I93 HydrophobicContact CE1-CG2 4.11Å; Y30-I93 VanDerWaalsContact OH-C 3.24Å; Y30-I93 WeakPolarHBondContact OH-CA 3.48Å; L87-I93 HydrophobicContact CB-CD1 3.48Å; L87-I93 VanDerWaalsContact CB-CD1 3.48Å; L87-I93 HydrophobicContact CB-CG1 4.01Å; L87-I93 HydrophobicContact CD2-CD1 3.9Å; L87-I93 HydrophobicContact CG-CD1 4.36Å; L87-I93 PolarHBondContact O-N 3.37Å; I93-A97 HydrophobicContact CG2-CB 3.86Å; I93-C98 HydrophobicContact CG2-CB 4.02Å |
| 94 | Q | 67.6 | Low | 70.4 | Confident | 116 Ų | 116 | 68.5 Ų | 68.5 | 54% | 0.542 | 37% | 0.369 | S | S | . | . | trans | -67.4 | 137.5 | 168.3 | -103.3 | -162.6 | -42.9 | 0 | 0 | 108.7 | Y30 G96 A97 C98 | Y30-Q94 PolarHBondContact OH-N 2.91Å; Q94-G96 PolarHBondContact O-N 3.41Å; Q94-A97 PolarHBondContact O-N 3.23Å; Q94-C98 PolarHBondContact O-N 2.88Å; Q94-C98 VanDerWaalsContact O-N 3.14Å | ||
| 95 | W | 70.6 | Confident | 71.1 | Confident | 214 Ų | 214 | 68.1 Ų | 68.1 | 81% | 0.811 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -50.7 | -32.1 | -179.5 | -73.7 | 97.6 | 0 | 0 | 0 | 113.9 | C98 G99 | W95-C98 PolarHBondContact O-N 3.43Å; W95-G99 PolarHBondContact O-N 2.94Å |
| 96 | G | 69.9 | Low | 71.7 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 54% | 0.536 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q94 C98 G99 L100 | Q94-G96 PolarHBondContact O-N 3.41Å; G96-C98 VanDerWaalsContact C-N 3.35Å; G96-G99 PolarHBondContact O-N 3.33Å; G96-L100 PolarHBondContact O-N 3.47Å; G96-L100 VanDerWaalsContact O-N 3.15Å |
| 97 | A | 69.7 | Low | 72.4 | Confident | 10 Ų | 10 | 63 Ų | 63 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.7 | -35.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y30 I93 Q94 G99 L100 V101 | Y30-A97 HydrophobicContact CE2-CB 4.2Å; I93-A97 HydrophobicContact CG2-CB 3.86Å; Q94-A97 PolarHBondContact O-N 3.23Å; A97-G99 VanDerWaalsContact C-N 3.29Å; A97-G99 PolarHBondContact O-N 2.9Å; A97-L100 PolarHBondContact O-N 3.48Å; A97-V101 WeakPolarHBondContact O-CG2 3.48Å; A97-V101 PolarHBondContact O-N 3.32Å; A97-V101 VanDerWaalsContact O-N 3.07Å |
| 98 | C | 72 | Confident | 73.2 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 8% | 0.081 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61 | -39.8 | 173.2 | -162.9 | 0 | 0 | 0 | 0 | 111.6 | A88 I93 Q94 W95 G96 M102 | A88-C98 HydrophobicContact CB-CB 4.35Å; I93-C98 HydrophobicContact CG2-CB 4.02Å; Q94-C98 PolarHBondContact O-N 2.88Å; Q94-C98 VanDerWaalsContact O-N 3.14Å; W95-C98 PolarHBondContact O-N 3.43Å; G96-C98 VanDerWaalsContact C-N 3.35Å; C98-M102 WeakPolarHBondContact O-CB 3.46Å; C98-M102 WeakPolarHBondContact O-CG 3.44Å; C98-M102 PolarHBondContact O-N 3.5Å |
| 99 | G | 78 | Confident | 73.8 | Confident | 35 Ų | 35 | 62.9 Ų | 62.9 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | W95 G96 A97 M102 T103 | W95-G99 PolarHBondContact O-N 2.94Å; G96-G99 PolarHBondContact O-N 3.33Å; A97-G99 VanDerWaalsContact C-N 3.29Å; A97-G99 PolarHBondContact O-N 2.9Å; G99-M102 PolarHBondContact O-N 2.82Å; G99-T103 WeakPolarHBondContact O-CB 3.1Å; G99-T103 PolarHBondContact O-N 3.26Å; G99-T103 PolarHBondContact O-OG1 2.83Å |
| 100 | L | 78.4 | Confident | 74.5 | Confident | 58 Ų | 58 | 58 Ų | 58 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 176.2 | -107.6 | 97 | 0 | 0 | 0 | 112.1 | F20 L23 G96 A97 T103 G104 | F20-L100 HydrophobicContact CD1-CD2 3.81Å; F20-L100 HydrophobicContact CD1-CG 4.05Å; L23-L100 HydrophobicContact CB-CD2 3.63Å; L23-L100 HydrophobicContact CD2-CD2 4.41Å; G96-L100 PolarHBondContact O-N 3.47Å; G96-L100 VanDerWaalsContact O-N 3.15Å; A97-L100 PolarHBondContact O-N 3.48Å; L100-T103 PolarHBondContact O-N 2.94Å; L100-G104 PolarHBondContact O-N 2.96Å |
| 101 | V | 76.3 | Confident | 75.2 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 179.6 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | L21 P84 A97 T103 G104 N105 | L21-V101 HydrophobicContact CD1-CG1 4.04Å; P84-V101 HydrophobicContact CB-CG1 4.12Å; P84-V101 HydrophobicContact CG-CG1 4.22Å; A97-V101 WeakPolarHBondContact O-CG2 3.48Å; A97-V101 PolarHBondContact O-N 3.32Å; A97-V101 VanDerWaalsContact O-N 3.07Å; V101-T103 VanDerWaalsContact C-N 3.31Å; V101-T103 PolarHBondContact O-N 2.99Å; V101-G104 PolarHBondContact O-N 3.27Å; V101-N105 WeakPolarHBondContact O-CB 3.06Å; V101-N105 PolarHBondContact O-N 3.5Å |
| 102 | M | 80.3 | Confident | 75.9 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 174.6 | -73.4 | -79.3 | -76.6 | 0 | 0 | 111.6 | F81 C98 G99 A106 | F81-M102 HydrophobicContact CD1-CE 4.22Å; F81-M102 HydrophobicContact CD1-SD 3.51Å; F81-M102 VanDerWaalsContact CD1-SD 3.51Å; F81-M102 HydrophobicContact CE1-SD 4.13Å; C98-M102 WeakPolarHBondContact O-CB 3.46Å; C98-M102 WeakPolarHBondContact O-CG 3.44Å; C98-M102 PolarHBondContact O-N 3.5Å; G99-M102 PolarHBondContact O-N 2.82Å; M102-A106 WeakPolarHBondContact O-CB 3.2Å; M102-A106 PolarHBondContact O-N 3.04Å |
| 103 | T | 84.9 | Confident | 76.6 | Confident | 74 Ų | 74 | 52.5 Ų | 52.5 | 45% | 0.454 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.7 | -44.3 | 179.9 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | G99 L100 V101 N105 A106 V107 | G99-T103 WeakPolarHBondContact O-CB 3.1Å; G99-T103 PolarHBondContact O-N 3.26Å; G99-T103 PolarHBondContact O-OG1 2.83Å; L100-T103 PolarHBondContact O-N 2.94Å; V101-T103 VanDerWaalsContact C-N 3.31Å; V101-T103 PolarHBondContact O-N 2.99Å; T103-N105 PolarHBondContact O-N 2.85Å; T103-A106 PolarHBondContact O-N 2.94Å; T103-V107 WeakPolarHBondContact O-CG2 3.06Å; T103-V107 PolarHBondContact O-N 3.18Å |
| 104 | G | 81.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L100 V101 A106 V107 I108 | L100-G104 PolarHBondContact O-N 2.96Å; V101-G104 PolarHBondContact O-N 3.27Å; G104-A106 VanDerWaalsContact C-N 3.35Å; G104-A106 PolarHBondContact O-N 3.28Å; G104-V107 PolarHBondContact O-N 3.03Å; G104-I108 VanDerWaalsContact O-CB 3.29Å; G104-I108 WeakPolarHBondContact O-CB 3.25Å; G104-I108 WeakPolarHBondContact O-CG1 3.24Å; G104-I108 PolarHBondContact O-N 3.49Å |
| 105 | N | 81.5 | Confident | 77.6 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.011 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 175.7 | -78.5 | -20.5 | 0 | 0 | 0 | 112.3 | S80 F81 V101 T103 I108 F109 | S80-N105 PolarHBondContact O-ND2 3.07Å; S80-N105 VanDerWaalsContact O-ND2 3.1Å; F81-N105 HydrophobicContact CD1-CB 4.46Å; F81-N105 HydrophobicContact CE1-CB 3.8Å; F81-N105 HydrophobicContact CZ-CB 4Å; V101-N105 WeakPolarHBondContact O-CB 3.06Å; V101-N105 PolarHBondContact O-N 3.5Å; T103-N105 PolarHBondContact O-N 2.85Å; N105-I108 PolarHBondContact O-N 3.44Å; N105-F109 HydrophobicContact CB-CD2 4.48Å; N105-F109 HydrophobicContact CB-CE2 4.25Å; N105-F109 WeakPolarHBondContact O-CD2 3.27Å; N105-F109 PolarHBondContact O-N 2.91Å |
| 106 | A | 82.9 | Confident | 77.4 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 36% | 0.355 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M102 T103 G104 I108 F109 L110 | M102-A106 WeakPolarHBondContact O-CB 3.2Å; M102-A106 PolarHBondContact O-N 3.04Å; T103-A106 PolarHBondContact O-N 2.94Å; G104-A106 VanDerWaalsContact C-N 3.35Å; G104-A106 PolarHBondContact O-N 3.28Å; A106-I108 VanDerWaalsContact C-N 3.33Å; A106-I108 PolarHBondContact O-N 2.88Å; A106-F109 PolarHBondContact O-N 3.46Å; A106-L110 WeakPolarHBondContact O-CB 3.37Å; A106-L110 WeakPolarHBondContact O-CG 3.36Å; A106-L110 PolarHBondContact O-N 3.43Å |
| 107 | V | 84.2 | Confident | 77.4 | Confident | 38 Ų | 38 | 49.4 Ų | 49.4 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.2 | 173 | 0 | 0 | 0 | 0 | 111.4 | S13 T103 G104 L110 T111 | S13-V107 VanDerWaalsContact O-CG1 3.29Å; S13-V107 WeakPolarHBondContact O-CG1 3.5Å; T103-V107 WeakPolarHBondContact O-CG2 3.06Å; T103-V107 PolarHBondContact O-N 3.18Å; G104-V107 PolarHBondContact O-N 3.03Å; V107-L110 PolarHBondContact O-N 3.04Å; V107-T111 WeakPolarHBondContact O-CB 3.12Å; V107-T111 PolarHBondContact O-N 3.29Å; V107-T111 PolarHBondContact O-OG1 3.39Å |
| 108 | I | 81.2 | Confident | 77.3 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -51.4 | 176.9 | -79.3 | 175.2 | 0 | 0 | 0 | 110.8 | L18 Y42 G104 N105 A106 L110 T111 I112 | L18-I108 HydrophobicContact CD2-CD1 4.37Å; Y42-I108 HydrophobicContact CD2-CG2 4.29Å; Y42-I108 HydrophobicContact CE2-CB 4.49Å; Y42-I108 HydrophobicContact CE2-CG2 3.12Å; Y42-I108 VanDerWaalsContact CZ-CG2 3.43Å; Y42-I108 WeakPolarHBondContact OH-CG2 3.16Å; G104-I108 VanDerWaalsContact O-CB 3.29Å; G104-I108 WeakPolarHBondContact O-CB 3.25Å; G104-I108 WeakPolarHBondContact O-CG1 3.24Å; G104-I108 PolarHBondContact O-N 3.49Å; N105-I108 PolarHBondContact O-N 3.44Å; A106-I108 VanDerWaalsContact C-N 3.33Å; A106-I108 PolarHBondContact O-N 2.88Å; I108-L110 VanDerWaalsContact C-N 3.34Å; I108-L110 PolarHBondContact O-N 3.22Å; I108-T111 WeakPolarHBondContact O-CB 3.11Å; I108-T111 PolarHBondContact O-N 3.02Å; I108-T111 VanDerWaalsContact O-N 3.09Å; I108-I112 WeakPolarHBondContact O-CG1 2.88Å; I108-I112 PolarHBondContact O-N 3.16Å |
| 109 | F | 78.4 | Confident | 76.8 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 17% | 0.167 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63 | -39.6 | 177.2 | -73.4 | -56.2 | 0 | 0 | 0 | 112.5 | V77 F81 N105 A106 T111 I112 L113 | V77-F109 HydrophobicContact CB-CE1 4.12Å; V77-F109 HydrophobicContact CB-CE2 4.41Å; V77-F109 HydrophobicContact CB-CZ 3.99Å; V77-F109 HydrophobicContact CG1-CD2 4.32Å; V77-F109 HydrophobicContact CG1-CE1 4.44Å; V77-F109 HydrophobicContact CG1-CE2 4.05Å; V77-F109 HydrophobicContact CG1-CZ 4.14Å; V77-F109 HydrophobicContact CG2-CD1 3.72Å; V77-F109 HydrophobicContact CG2-CE1 3.33Å; V77-F109 HydrophobicContact CG2-CE2 4.38Å; V77-F109 HydrophobicContact CG2-CG 4.42Å; V77-F109 HydrophobicContact CG2-CZ 3.73Å; F81-F109 HydrophobicContact CD2-CE2 4.25Å; F81-F109 AromaticContact CE2-CD2 3.65Å; F81-F109 HydrophobicContact CE2-CD2 3.65Å; F81-F109 AromaticContact CE2-CE2 3.54Å; F81-F109 HydrophobicContact CE2-CE2 3.54Å; F81-F109 AromaticContact CZ-CD2 3.82Å; F81-F109 HydrophobicContact CZ-CD2 3.82Å; F81-F109 AromaticContact CZ-CE2 3.97Å; F81-F109 HydrophobicContact CZ-CE2 3.97Å; N105-F109 HydrophobicContact CB-CD2 4.48Å; N105-F109 HydrophobicContact CB-CE2 4.25Å; N105-F109 WeakPolarHBondContact O-CD2 3.27Å; N105-F109 PolarHBondContact O-N 2.91Å; A106-F109 PolarHBondContact O-N 3.46Å; F109-T111 VanDerWaalsContact C-N 3.26Å; F109-T111 PolarHBondContact O-N 3.48Å; F109-I112 HydrophobicContact CD1-CD1 4.3Å; F109-I112 PolarHBondContact O-N 2.96Å; F109-L113 WeakPolarHBondContact O-CB 3.47Å; F109-L113 PolarHBondContact O-N 3.31Å |
| 110 | L | 81.4 | Confident | 75.6 | Confident | 120 Ų | 120 | 56.3 Ų | 56.3 | 63% | 0.628 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.1 | -35.9 | 173.1 | -79.9 | 170.2 | 0 | 0 | 0 | 112.3 | A106 V107 I108 L113 G114 | A106-L110 WeakPolarHBondContact O-CB 3.37Å; A106-L110 WeakPolarHBondContact O-CG 3.36Å; A106-L110 PolarHBondContact O-N 3.43Å; V107-L110 PolarHBondContact O-N 3.04Å; I108-L110 VanDerWaalsContact C-N 3.34Å; I108-L110 PolarHBondContact O-N 3.22Å; L110-L113 PolarHBondContact O-N 3.29Å; L110-G114 PolarHBondContact O-N 2.89Å |
| 111 | T | 78.6 | Confident | 74 | Confident | 17 Ų | 17 | 57 Ų | 57 | 10% | 0.104 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.8 | -43 | 175.9 | -56.4 | 0 | 0 | 0 | 0 | 111 | L10 S13 V107 I108 F109 G114 F115 | L10-T111 HydrophobicContact CB-CG2 4.17Å; L10-T111 HydrophobicContact CD2-CG2 3.94Å; L10-T111 WeakPolarHBondContact CD2-O 3.09Å; L10-T111 WeakPolarHBondContact O-CG2 3.08Å; S13-T111 WeakPolarHBondContact CB-OG1 3.32Å; S13-T111 WeakPolarHBondContact OG-CG2 3.4Å; S13-T111 PolarHBondContact OG-OG1 3.44Å; V107-T111 WeakPolarHBondContact O-CB 3.12Å; V107-T111 PolarHBondContact O-N 3.29Å; V107-T111 PolarHBondContact O-OG1 3.39Å; I108-T111 WeakPolarHBondContact O-CB 3.11Å; I108-T111 PolarHBondContact O-N 3.02Å; I108-T111 VanDerWaalsContact O-N 3.09Å; F109-T111 VanDerWaalsContact C-N 3.26Å; F109-T111 PolarHBondContact O-N 3.48Å; T111-G114 PolarHBondContact O-N 2.95Å; T111-F115 PolarHBondContact O-N 3.47Å |
| 112 | I | 75.4 | Confident | 72.3 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 31% | 0.308 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 175.7 | -63.3 | 167 | 0 | 0 | 0 | 110.7 | Y42 I108 F109 G114 F115 F116 | Y42-I112 HydrophobicContact CE2-CD1 3.79Å; I108-I112 WeakPolarHBondContact O-CG1 2.88Å; I108-I112 PolarHBondContact O-N 3.16Å; F109-I112 HydrophobicContact CD1-CD1 4.3Å; F109-I112 PolarHBondContact O-N 2.96Å; I112-G114 VanDerWaalsContact C-N 3.35Å; I112-F115 WeakPolarHBondContact O-CB 3.5Å; I112-F115 PolarHBondContact O-N 2.83Å; I112-F116 PolarHBondContact O-N 3.43Å |
| 113 | L | 73.9 | Confident | 70.5 | Confident | 103 Ų | 103 | 63.1 Ų | 63.1 | 54% | 0.539 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 176.9 | -123.1 | 171.2 | 0 | 0 | 0 | 111.2 | F109 L110 F115 F116 V117 | F109-L113 WeakPolarHBondContact O-CB 3.47Å; F109-L113 PolarHBondContact O-N 3.31Å; L110-L113 PolarHBondContact O-N 3.29Å; L113-F115 VanDerWaalsContact C-N 3.35Å; L113-F115 PolarHBondContact O-N 2.9Å; L113-F116 PolarHBondContact O-N 3.43Å; L113-V117 HydrophobicContact CD2-CG2 4.03Å; L113-V117 WeakPolarHBondContact O-CB 3.38Å; L113-V117 VanDerWaalsContact O-CG2 3.32Å; L113-V117 WeakPolarHBondContact O-CG2 3.43Å; L113-V117 PolarHBondContact O-N 3.39Å |
| 114 | G | 76.1 | Confident | 68.5 | Low | 21 Ų | 21 | 68.2 Ų | 68.2 | 22% | 0.216 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L110 T111 I112 F116 V117 I118 | L110-G114 PolarHBondContact O-N 2.89Å; T111-G114 PolarHBondContact O-N 2.95Å; I112-G114 VanDerWaalsContact C-N 3.35Å; G114-F116 PolarHBondContact O-N 3.5Å; G114-V117 PolarHBondContact O-N 3.12Å; G114-I118 VanDerWaalsContact O-CB 3.29Å; G114-I118 WeakPolarHBondContact O-CB 3.43Å; G114-I118 VanDerWaalsContact O-CD1 3.24Å; G114-I118 WeakPolarHBondContact O-CD1 3.44Å; G114-I118 WeakPolarHBondContact O-CG1 3.28Å; G114-I118 PolarHBondContact O-N 2.94Å |
| 115 | F | 73.9 | Confident | 66.7 | Low | 96 Ų | 96 | 75.5 Ų | 75.5 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 173.3 | -176.1 | -94.1 | 0 | 0 | 0 | 111.5 | L10 T111 I112 L113 V117 I118 F119 | L10-F115 HydrophobicContact CD1-CB 4.15Å; L10-F115 HydrophobicContact CD1-CD2 4.08Å; T111-F115 PolarHBondContact O-N 3.47Å; I112-F115 WeakPolarHBondContact O-CB 3.5Å; I112-F115 PolarHBondContact O-N 2.83Å; L113-F115 VanDerWaalsContact C-N 3.35Å; L113-F115 PolarHBondContact O-N 2.9Å; F115-V117 PolarHBondContact O-N 3.14Å; F115-I118 PolarHBondContact O-N 3.12Å; F115-F119 AromaticContact CD2-CD2 3.47Å; F115-F119 HydrophobicContact CD2-CD2 3.47Å; F115-F119 VanDerWaalsContact CD2-CD2 3.47Å; F115-F119 AromaticContact CD2-CE2 3.76Å; F115-F119 HydrophobicContact CD2-CE2 3.76Å; F115-F119 HydrophobicContact CD2-CG 4.37Å; F115-F119 HydrophobicContact CE1-CB 4.37Å; F115-F119 AromaticContact CE2-CD2 3.43Å; F115-F119 HydrophobicContact CE2-CD2 3.43Å; F115-F119 VanDerWaalsContact CE2-CD2 3.43Å; F115-F119 AromaticContact CE2-CE2 3.64Å; F115-F119 HydrophobicContact CE2-CE2 3.64Å; F115-F119 AromaticContact CE2-CG 3.99Å; F115-F119 HydrophobicContact CE2-CG 3.99Å; F115-F119 HydrophobicContact CE2-CZ 4.36Å; F115-F119 HydrophobicContact CG-CD2 4.08Å; F115-F119 HydrophobicContact CZ-CB 4.32Å; F115-F119 AromaticContact CZ-CD2 4Å; F115-F119 HydrophobicContact CZ-CD2 4Å; F115-F119 HydrophobicContact CZ-CG 4.11Å; F115-F119 VanDerWaalsContact O-CB 3.31Å; F115-F119 WeakPolarHBondContact O-CB 3.37Å; F115-F119 WeakPolarHBondContact O-CD2 3.45Å; F115-F119 PolarHBondContact O-N 3.32Å |
| 116 | F | 67.8 | Low | 64.6 | Low | 125 Ų | 125 | 78.9 Ų | 78.9 | 55% | 0.548 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 178.3 | -169.2 | -95 | 0 | 0 | 0 | 113.4 | I112 L113 G114 G120 | I112-F116 PolarHBondContact O-N 3.43Å; L113-F116 PolarHBondContact O-N 3.43Å; G114-F116 PolarHBondContact O-N 3.5Å; F116-G120 CarbonylContact O-C 3.52Å; F116-G120 WeakPolarHBondContact O-CA 3.37Å; F116-G120 PolarHBondContact O-N 2.93Å |
| 117 | V | 69.8 | Low | 62.5 | Low | 98 Ų | 98 | 88.1 Ų | 88.1 | 59% | 0.594 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -70.7 | -39.4 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 111 | L113 G114 F115 | L113-V117 HydrophobicContact CD2-CG2 4.03Å; L113-V117 WeakPolarHBondContact O-CB 3.38Å; L113-V117 VanDerWaalsContact O-CG2 3.32Å; L113-V117 WeakPolarHBondContact O-CG2 3.43Å; L113-V117 PolarHBondContact O-N 3.39Å; G114-V117 PolarHBondContact O-N 3.12Å; F115-V117 PolarHBondContact O-N 3.14Å |
| 118 | I | 67.9 | Low | 60.5 | Low | 85 Ų | 85 | 94.3 Ų | 94.3 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.9 | -37 | -178.5 | -67.4 | 158.8 | 0 | 0 | 0 | 111.8 | A6 L10 G114 F115 | A6-I118 HydrophobicContact CB-CD1 4.09Å; A6-I118 HydrophobicContact CB-CG2 4.12Å; L10-I118 HydrophobicContact CD1-CD1 4.06Å; L10-I118 HydrophobicContact CG-CD1 4.46Å; G114-I118 VanDerWaalsContact O-CB 3.29Å; G114-I118 WeakPolarHBondContact O-CB 3.43Å; G114-I118 VanDerWaalsContact O-CD1 3.24Å; G114-I118 WeakPolarHBondContact O-CD1 3.44Å; G114-I118 WeakPolarHBondContact O-CG1 3.28Å; G114-I118 PolarHBondContact O-N 2.94Å; F115-I118 PolarHBondContact O-N 3.12Å |
| 119 | F | 61.6 | Low | 58.3 | Low | 78 Ų | 78 | 102.9 Ų | 102.9 | 34% | 0.342 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -109.1 | -19.2 | -174.8 | -72.1 | -85.8 | 0 | 0 | 0 | 114.8 | L7 L10 F115 | L7-F119 HydrophobicContact CD1-CZ 3.95Å; L7-F119 HydrophobicContact CD2-CE2 4.2Å; L7-F119 HydrophobicContact CD2-CZ 4.06Å; L7-F119 HydrophobicContact CG-CE2 4.15Å; L7-F119 HydrophobicContact CG-CZ 3.8Å; L10-F119 HydrophobicContact CD1-CE2 4.46Å; F115-F119 AromaticContact CD2-CD2 3.47Å; F115-F119 HydrophobicContact CD2-CD2 3.47Å; F115-F119 VanDerWaalsContact CD2-CD2 3.47Å; F115-F119 AromaticContact CD2-CE2 3.76Å; F115-F119 HydrophobicContact CD2-CE2 3.76Å; F115-F119 HydrophobicContact CD2-CG 4.37Å; F115-F119 HydrophobicContact CE1-CB 4.37Å; F115-F119 AromaticContact CE2-CD2 3.43Å; F115-F119 HydrophobicContact CE2-CD2 3.43Å; F115-F119 VanDerWaalsContact CE2-CD2 3.43Å; F115-F119 AromaticContact CE2-CE2 3.64Å; F115-F119 HydrophobicContact CE2-CE2 3.64Å; F115-F119 AromaticContact CE2-CG 3.99Å; F115-F119 HydrophobicContact CE2-CG 3.99Å; F115-F119 HydrophobicContact CE2-CZ 4.36Å; F115-F119 HydrophobicContact CG-CD2 4.08Å; F115-F119 HydrophobicContact CZ-CB 4.32Å; F115-F119 AromaticContact CZ-CD2 4Å; F115-F119 HydrophobicContact CZ-CD2 4Å; F115-F119 HydrophobicContact CZ-CG 4.11Å; F115-F119 VanDerWaalsContact O-CB 3.31Å; F115-F119 WeakPolarHBondContact O-CB 3.37Å; F115-F119 WeakPolarHBondContact O-CD2 3.45Å; F115-F119 PolarHBondContact O-N 3.32Å |
| 120 | G | 51.8 | Low | 56.3 | Low | 38 Ų | 38 | 116.6 Ų | 116.6 | 39% | 0.392 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -100.5 | -10.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F116 G122 | F116-G120 CarbonylContact O-C 3.52Å; F116-G120 WeakPolarHBondContact O-CA 3.37Å; F116-G120 PolarHBondContact O-N 2.93Å; G120-G122 PolarHBondContact O-N 3.16Å |
| 121 | G | 45.8 | Very low | 55.1 | Low | 74 Ų | 74 | 116.4 Ų | 116.4 | 76% | 0.763 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -78.1 | 12.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 122 | G | 39.6 | Very low | 53.8 | Low | 39 Ų | 39 | 121.6 Ų | 121.6 | 40% | 0.402 | 62% | 0.615 | S | S | . | * | trans | -143.7 | 101.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | G120 E124 | G120-G122 PolarHBondContact O-N 3.16Å; G122-E124 PolarHBondContact O-N 3.45Å | ||
| 123 | D | 43.7 | Very low | 52.6 | Low | 174 Ų | 174 | 125.1 Ų | 125.1 | 93% | 0.93 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 30.6 | 153.8 | -84 | -80 | 0 | 0 | 0 | 112.6 | ||
| 124 | E | 43.1 | Very low | 51.4 | Low | 182 Ų | 182 | 126.4 Ų | 126.4 | 85% | 0.85 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155 | 19.8 | -172.1 | -115.8 | 179.3 | 100.7 | 0 | 0 | 115.1 | G122 S126 | G122-E124 PolarHBondContact O-N 3.45Å; E124-S126 PolarHBondContact O-N 3.31Å |
| 125 | F | 43.1 | Very low | 49.9 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 67% | 0.667 | 66% | 0.664 | S | S | * | * | trans | -81.9 | 78.1 | 158.7 | -160 | -99.5 | 0 | 0 | 0 | 108.3 | W127 | F125-W127 PolarHBondContact O-N 3.4Š| ||
| 126 | S | 36.4 | Very low | 48.3 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 51% | 0.51 | 68% | 0.68 | S | S | . | * | trans | -52.6 | 125.9 | 172.5 | 74.7 | 0 | 0 | 0 | 0 | 108.9 | E124 E128 | E124-S126 PolarHBondContact O-N 3.31Å; S126-E128 PolarHBondContact O-N 3.33Å | ||
| 127 | W | 39.6 | Very low | 46.9 | Very low | 237 Ų | 237 | 136.1 Ų | 136.1 | 90% | 0.898 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -73.3 | 29.3 | 170 | -70.7 | 96 | 0 | 0 | 0 | 111.5 | F125 | F125-W127 PolarHBondContact O-N 3.4Š|
| 128 | E | 41.1 | Very low | 45.1 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | trans | -105.3 | 22.9 | -170.1 | -69.7 | -95.1 | 124.3 | 0 | 0 | 112.9 | S126 | S126-E128 PolarHBondContact O-N 3.33Š| ||
| 129 | Q | 36.3 | Very low | 43.2 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | trans | -122.9 | 26.2 | 173.6 | -67.6 | -143 | -31.3 | 0 | 0 | 115.1 | ||||
| 130 | W | 36.3 | Very low | 41.5 | Very low | 326 Ų | 326 | 149.5 Ų | 149.5 | 100% | 1.235 | 75% | 0.753 | S | S | * | * | trans | -146.5 | 0 | 149.8 | -123.7 | 80.5 | 0 | 0 | 0 | 111.4 |
Retrieved 130 of 130 residues in 274.7 ms
(Link to these results)