| 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 | 44 | Very low | 48.2 | Very low | 214 Ų | 214 | 123.5 Ų | 123.5 | 100% | 1.054 | 66% | 0.66 | S | S | * | * | 0 | -48.4 | 0 | -89.1 | 178.3 | -99.1 | 0 | 0 | 113.9 | A3 L4 L5 | M1-A3 PolarHBondContact O-N 2.65Å; M1-L4 PolarHBondContact O-N 2.62Å; M1-L5 PolarHBondContact O-N 2.86Å | |||
| 2 | K | 41.1 | Very low | 49.9 | Very low | 197 Ų | 197 | 117.1 Ų | 117.1 | 86% | 0.857 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.4 | -34.2 | -179.4 | -70 | -178.8 | 176.3 | -178.4 | 0 | 115.7 | S6 | K2-S6 PolarHBondContact O-N 2.93Å |
| 3 | A | 40.3 | Very low | 51.5 | Low | 83 Ų | 83 | 116.5 Ų | 116.5 | 69% | 0.686 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.4 | -25.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | M1 R7 | M1-A3 PolarHBondContact O-N 2.65Å; A3-R7 PolarHBondContact O-N 3.19Å |
| 4 | L | 39.3 | Very low | 52.8 | Low | 129 Ų | 129 | 114.9 Ų | 114.9 | 68% | 0.675 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76.4 | -35.3 | 176 | -108.1 | 141.9 | 0 | 0 | 0 | 111.1 | M1 R7 C8 | M1-L4 PolarHBondContact O-N 2.62Å; L4-R7 PolarHBondContact O-N 2.97Å; L4-C8 PolarHBondContact O-N 3.31Å; L4-C8 VanDerWaalsContact O-N 3.16Å |
| 5 | L | 41.9 | Very low | 53.8 | Low | 121 Ų | 121 | 116.2 Ų | 116.2 | 63% | 0.634 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.4 | -44.6 | 176.6 | -151.2 | 73.4 | 0 | 0 | 0 | 111.6 | M1 R7 C8 E9 | M1-L5 PolarHBondContact O-N 2.86Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 3.43Å; L5-C8 PolarHBondContact O-N 2.8Å; L5-E9 PolarHBondContact O-N 3.28Å |
| 6 | S | 47.9 | Very low | 54.8 | Low | 75 Ų | 75 | 114.6 Ų | 114.6 | 52% | 0.524 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.2 | -32.8 | 176.7 | 172 | 0 | 0 | 0 | 0 | 113.4 | K2 A10 | K2-S6 PolarHBondContact O-N 2.93Å; S6-A10 PolarHBondContact O-N 3.36Å; S6-A10 VanDerWaalsContact O-N 3.14Å |
| 7 | R | 41.8 | Very low | 55.6 | Low | 193 Ų | 193 | 111.8 Ų | 111.8 | 73% | 0.728 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.2 | -36.6 | 175 | -166.9 | 176.7 | -178.5 | -175.6 | -0.2 | 111.9 | A3 L4 L5 V11 | A3-R7 PolarHBondContact O-N 3.19Å; L4-R7 PolarHBondContact O-N 2.97Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 3.43Å; R7-V11 WeakPolarHBondContact O-CB 3.41Å; R7-V11 WeakPolarHBondContact O-CG2 3.43Å; R7-V11 PolarHBondContact O-N 3.45Å; R7-V11 VanDerWaalsContact O-N 3.08Å |
| 8 | C | 50.3 | Low | 56.1 | Low | 82 Ų | 82 | 109.6 Ų | 109.6 | 55% | 0.554 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.7 | -39.4 | 173.1 | -76.8 | 0 | 0 | 0 | 0 | 112.3 | L4 L5 V11 A12 | L4-C8 PolarHBondContact O-N 3.31Å; L4-C8 VanDerWaalsContact O-N 3.16Å; L5-C8 PolarHBondContact O-N 2.8Å; C8-V11 PolarHBondContact O-N 2.8Å; C8-A12 VanDerWaalsContact O-CB 3.24Å; C8-A12 WeakPolarHBondContact O-CB 3.41Å; C8-A12 PolarHBondContact O-N 3.48Å |
| 9 | E | 59.1 | Low | 56.3 | Low | 125 Ų | 125 | 109.2 Ų | 109.2 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.8 | -41.7 | 176.5 | -73.2 | -175.3 | 174.5 | 0 | 0 | 112.4 | L5 A12 L13 | L5-E9 PolarHBondContact O-N 3.28Å; E9-A12 PolarHBondContact O-N 3.08Å; E9-L13 WeakPolarHBondContact O-CB 3.34Å; E9-L13 PolarHBondContact O-N 2.82Å |
| 10 | A | 59.2 | Low | 56.3 | Low | 53 Ų | 53 | 112.5 Ų | 112.5 | 44% | 0.438 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.2 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S6 L13 V14 | S6-A10 PolarHBondContact O-N 3.36Å; S6-A10 VanDerWaalsContact O-N 3.14Å; A10-L13 PolarHBondContact O-N 3.19Å; A10-V14 WeakPolarHBondContact O-CG2 3.49Å; A10-V14 PolarHBondContact O-N 2.97Å |
| 11 | V | 65.9 | Low | 56.2 | Low | 87 Ų | 87 | 113.4 Ų | 113.4 | 53% | 0.527 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.4 | -41.3 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | R7 C8 V14 F15 | R7-V11 WeakPolarHBondContact O-CB 3.41Å; R7-V11 WeakPolarHBondContact O-CG2 3.43Å; R7-V11 PolarHBondContact O-N 3.45Å; R7-V11 VanDerWaalsContact O-N 3.08Å; C8-V11 PolarHBondContact O-N 2.8Å; V11-V14 PolarHBondContact O-N 3.43Å; V11-F15 WeakPolarHBondContact O-CB 3.44Å; V11-F15 PolarHBondContact O-N 2.88Å |
| 12 | A | 68.1 | Low | 56.7 | Low | 46 Ų | 46 | 107.9 Ų | 107.9 | 38% | 0.38 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C8 E9 F15 I16 | C8-A12 VanDerWaalsContact O-CB 3.24Å; C8-A12 WeakPolarHBondContact O-CB 3.41Å; C8-A12 PolarHBondContact O-N 3.48Å; E9-A12 PolarHBondContact O-N 3.08Å; A12-F15 PolarHBondContact O-N 3.46Å; A12-I16 WeakPolarHBondContact O-CB 3.48Å; A12-I16 WeakPolarHBondContact O-CD1 3.42Å; A12-I16 WeakPolarHBondContact O-CG1 3.4Å; A12-I16 PolarHBondContact O-N 3.24Å |
| 13 | L | 70.8 | Confident | 57.2 | Low | 110 Ų | 110 | 101.3 Ų | 101.3 | 58% | 0.576 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.7 | -46.2 | 174.8 | -101.9 | 157.7 | 0 | 0 | 0 | 112.2 | E9 A10 F15 I16 V17 | E9-L13 WeakPolarHBondContact O-CB 3.34Å; E9-L13 PolarHBondContact O-N 2.82Å; A10-L13 PolarHBondContact O-N 3.19Å; L13-F15 VanDerWaalsContact C-N 3.33Å; L13-F15 PolarHBondContact O-N 3.02Å; L13-I16 PolarHBondContact O-N 3.36Å; L13-V17 WeakPolarHBondContact O-CB 3.16Å; L13-V17 WeakPolarHBondContact O-CG2 3.26Å; L13-V17 PolarHBondContact O-N 3.44Å |
| 14 | V | 69.4 | Low | 57.8 | Low | 94 Ų | 94 | 100.5 Ų | 100.5 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.8 | -44.8 | 175.7 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | A10 V11 I16 V17 T18 | A10-V14 WeakPolarHBondContact O-CG2 3.49Å; A10-V14 PolarHBondContact O-N 2.97Å; V11-V14 PolarHBondContact O-N 3.43Å; V14-I16 PolarHBondContact O-N 2.8Å; V14-V17 PolarHBondContact O-N 2.86Å; V14-T18 WeakPolarHBondContact O-CB 3.3Å; V14-T18 PolarHBondContact O-N 3.37Å; V14-T18 PolarHBondContact O-OG1 2.87Å |
| 15 | F | 67.9 | Low | 58.3 | Low | 134 Ų | 134 | 103 Ų | 103 | 59% | 0.588 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 178.6 | -130.1 | -92.5 | 0 | 0 | 0 | 112.5 | V11 A12 L13 T18 L19 | V11-F15 WeakPolarHBondContact O-CB 3.44Å; V11-F15 PolarHBondContact O-N 2.88Å; A12-F15 PolarHBondContact O-N 3.46Å; L13-F15 VanDerWaalsContact C-N 3.33Å; L13-F15 PolarHBondContact O-N 3.02Å; F15-T18 PolarHBondContact O-N 3.41Å; F15-L19 HydrophobicContact CD1-CD1 3.92Å; F15-L19 HydrophobicContact CD1-CG 4.32Å; F15-L19 WeakPolarHBondContact O-CB 3.41Å; F15-L19 WeakPolarHBondContact O-CG 3.48Å; F15-L19 PolarHBondContact O-N 3.44Å |
| 16 | I | 70.1 | Confident | 58.5 | Low | 91 Ų | 91 | 102.2 Ų | 102.2 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 176.8 | -69.5 | 165 | 0 | 0 | 0 | 110.3 | A12 L13 V14 L19 Y20 | A12-I16 WeakPolarHBondContact O-CB 3.48Å; A12-I16 WeakPolarHBondContact O-CD1 3.42Å; A12-I16 WeakPolarHBondContact O-CG1 3.4Å; A12-I16 PolarHBondContact O-N 3.24Å; L13-I16 PolarHBondContact O-N 3.36Å; V14-I16 PolarHBondContact O-N 2.8Å; I16-L19 PolarHBondContact O-N 2.91Å; I16-Y20 HydrophobicContact CG2-CD2 3.79Å; I16-Y20 HydrophobicContact CG2-CE2 4.05Å; I16-Y20 WeakPolarHBondContact O-CB 3.32Å; I16-Y20 WeakPolarHBondContact O-CD2 3.23Å; I16-Y20 PolarHBondContact O-N 3.26Å |
| 17 | V | 68.1 | Low | 58.6 | Low | 67 Ų | 67 | 105.1 Ų | 105.1 | 41% | 0.406 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 178.2 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | L13 V14 L19 Y20 F21 | L13-V17 WeakPolarHBondContact O-CB 3.16Å; L13-V17 WeakPolarHBondContact O-CG2 3.26Å; L13-V17 PolarHBondContact O-N 3.44Å; V14-V17 PolarHBondContact O-N 2.86Å; V17-L19 VanDerWaalsContact C-N 3.35Å; V17-L19 PolarHBondContact O-N 3.06Å; V17-Y20 PolarHBondContact O-N 2.84Å; V17-F21 HydrophobicContact CG1-CD2 3.51Å; V17-F21 HydrophobicContact CG1-CE2 3.53Å; V17-F21 WeakPolarHBondContact O-CD2 3.31Å; V17-F21 PolarHBondContact O-N 2.87Å |
| 18 | T | 64 | Low | 59.2 | Low | 71 Ų | 71 | 99.2 Ų | 99.2 | 44% | 0.436 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 176.8 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | V14 F15 N22 | V14-T18 WeakPolarHBondContact O-CB 3.3Å; V14-T18 PolarHBondContact O-N 3.37Å; V14-T18 PolarHBondContact O-OG1 2.87Å; F15-T18 PolarHBondContact O-N 3.41Å; T18-N22 WeakPolarHBondContact O-CB 3.35Å; T18-N22 PolarHBondContact O-N 2.78Å; T18-N22 PolarHBondContact O-ND2 2.74Å |
| 19 | L | 59.8 | Low | 59.6 | Low | 103 Ų | 103 | 96.2 Ų | 96.2 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 175.1 | -75.5 | 170 | 0 | 0 | 0 | 112 | F15 I16 V17 A23 | F15-L19 HydrophobicContact CD1-CD1 3.92Å; F15-L19 HydrophobicContact CD1-CG 4.32Å; F15-L19 WeakPolarHBondContact O-CB 3.41Å; F15-L19 WeakPolarHBondContact O-CG 3.48Å; F15-L19 PolarHBondContact O-N 3.44Å; I16-L19 PolarHBondContact O-N 2.91Å; V17-L19 VanDerWaalsContact C-N 3.35Å; V17-L19 PolarHBondContact O-N 3.06Å; L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.38Å; L19-A23 PolarHBondContact O-N 2.84Å |
| 20 | Y | 57.1 | Low | 60.3 | Low | 174 Ų | 174 | 92.3 Ų | 92.3 | 68% | 0.682 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.7 | -47.2 | 175.9 | -99.8 | -87.4 | 0 | 0 | 0 | 111.6 | I16 V17 A23 S24 | I16-Y20 HydrophobicContact CG2-CD2 3.79Å; I16-Y20 HydrophobicContact CG2-CE2 4.05Å; I16-Y20 WeakPolarHBondContact O-CB 3.32Å; I16-Y20 WeakPolarHBondContact O-CD2 3.23Å; I16-Y20 PolarHBondContact O-N 3.26Å; V17-Y20 PolarHBondContact O-N 2.84Å; Y20-A23 PolarHBondContact O-N 2.83Å; Y20-S24 PolarHBondContact O-N 3.33Å; Y20-S24 PolarHBondContact O-OG 3.37Å |
| 21 | F | 54.8 | Low | 61.5 | Low | 132 Ų | 132 | 95.6 Ų | 95.6 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | 179 | -83.5 | -71.4 | 0 | 0 | 0 | 112.3 | V17 S24 Y25 | V17-F21 HydrophobicContact CG1-CD2 3.51Å; V17-F21 HydrophobicContact CG1-CE2 3.53Å; V17-F21 WeakPolarHBondContact O-CD2 3.31Å; V17-F21 PolarHBondContact O-N 2.87Å; F21-S24 PolarHBondContact O-N 3.31Å; F21-Y25 WeakPolarHBondContact O-CD2 3.49Å; F21-Y25 PolarHBondContact O-N 3.14Å; F21-Y25 VanDerWaalsContact O-N 3.11Å |
| 22 | N | 54 | Low | 62.6 | Low | 98 Ų | 98 | 91.5 Ų | 91.5 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 176.3 | -77.4 | -24.6 | 0 | 0 | 0 | 112.6 | T18 Y25 Q26 | T18-N22 WeakPolarHBondContact O-CB 3.35Å; T18-N22 PolarHBondContact O-N 2.78Å; T18-N22 PolarHBondContact O-ND2 2.74Å; N22-Y25 PolarHBondContact O-N 2.86Å; N22-Q26 VanDerWaalsContact O-CG 3.25Å; N22-Q26 WeakPolarHBondContact O-CG 3.02Å; N22-Q26 PolarHBondContact O-N 3.21Å |
| 23 | A | 51.9 | Low | 63.7 | Low | 59 Ų | 59 | 89.3 Ų | 89.3 | 49% | 0.488 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L19 Y20 Y25 Q26 L27 | L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.38Å; L19-A23 PolarHBondContact O-N 2.84Å; Y20-A23 PolarHBondContact O-N 2.83Å; A23-Y25 PolarHBondContact O-N 3.32Å; A23-Q26 PolarHBondContact O-N 2.65Å; A23-L27 PolarHBondContact O-N 3Å |
| 24 | S | 51.6 | Low | 64.6 | Low | 66 Ų | 66 | 87 Ų | 87 | 46% | 0.462 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 175.8 | -56.5 | 0 | 0 | 0 | 0 | 112.6 | Y20 F21 Q26 L27 | Y20-S24 PolarHBondContact O-N 3.33Å; Y20-S24 PolarHBondContact O-OG 3.37Å; F21-S24 PolarHBondContact O-N 3.31Å; S24-Q26 VanDerWaalsContact C-N 3.29Å; S24-Q26 PolarHBondContact O-N 3.11Å; S24-L27 PolarHBondContact O-N 3.36Å |
| 25 | Y | 49.8 | Very low | 65.6 | Low | 182 Ų | 182 | 87 Ų | 87 | 71% | 0.714 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66 | -30.4 | 175.9 | -99.1 | -87.6 | 0 | 0 | 0 | 113.1 | F21 N22 A23 T28 | F21-Y25 WeakPolarHBondContact O-CD2 3.49Å; F21-Y25 PolarHBondContact O-N 3.14Å; F21-Y25 VanDerWaalsContact O-N 3.11Å; N22-Y25 PolarHBondContact O-N 2.86Å; A23-Y25 PolarHBondContact O-N 3.32Å; Y25-T28 PolarHBondContact O-OG1 3.32Å |
| 26 | Q | 47.8 | Very low | 66.6 | Low | 105 Ų | 105 | 81.6 Ų | 81.6 | 49% | 0.491 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -79 | -28.8 | 179.9 | -69.7 | -79.3 | -37.5 | 0 | 0 | 112.3 | N22 A23 S24 | N22-Q26 VanDerWaalsContact O-CG 3.25Å; N22-Q26 WeakPolarHBondContact O-CG 3.02Å; N22-Q26 PolarHBondContact O-N 3.21Å; A23-Q26 PolarHBondContact O-N 2.65Å; S24-Q26 VanDerWaalsContact C-N 3.29Å; S24-Q26 PolarHBondContact O-N 3.11Å |
| 27 | L | 49.8 | Very low | 67.5 | Low | 135 Ų | 135 | 80.4 Ų | 80.4 | 71% | 0.707 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -80.1 | -27 | -174 | -147.5 | 75.6 | 0 | 0 | 0 | 113.7 | A23 S24 | A23-L27 PolarHBondContact O-N 3Å; S24-L27 PolarHBondContact O-N 3.36Å |
| 28 | T | 53.5 | Low | 68.6 | Low | 70 Ų | 70 | 79.5 Ų | 79.5 | 43% | 0.429 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -74.7 | -24.4 | -176.2 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | Y25 L30 E31 | Y25-T28 PolarHBondContact O-OG1 3.32Å; T28-L30 PolarHBondContact O-N 3.02Å; T28-E31 PolarHBondContact O-N 3.09Å |
| 29 | G | 58.7 | Low | 70 | Confident | 18 Ų | 18 | 80.7 Ų | 80.7 | 19% | 0.186 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -68.6 | -28.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I74 | G29-I74 VanDerWaalsContact O-CD1 3.27Å; G29-I74 WeakPolarHBondContact O-CD1 3.26Å |
| 30 | L | 73.6 | Confident | 71.6 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 23% | 0.23 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -91.1 | -4 | -179.5 | -89.6 | 114.5 | 0 | 0 | 0 | 114.4 | T28 V32 C33 D58 E72 | T28-L30 PolarHBondContact O-N 3.02Å; L30-V32 PolarHBondContact O-N 2.92Å; L30-C33 WeakPolarHBondContact O-CB 3.23Å; L30-C33 PolarHBondContact O-N 3.02Å; L30-C33 VanDerWaalsContact O-N 3.16Å; L30-D58 WeakPolarHBondContact CD2-OD2 3.35Å; L30-E72 HydrophobicContact CD1-CB 4.3Å |
| 31 | E | 84.1 | Confident | 73.1 | Confident | 121 Ų | 121 | 70.8 Ų | 70.8 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -62 | -37.1 | 179 | -71.9 | -170.8 | 158.6 | 0 | 0 | 111.3 | T28 C33 S34 L35 | T28-E31 PolarHBondContact O-N 3.09Å; E31-C33 PolarHBondContact O-N 2.95Å; E31-S34 CarbonylContact O-C 3.58Å; E31-S34 WeakPolarHBondContact O-CA 3.48Å; E31-S34 PolarHBondContact O-N 2.02Å; E31-S34 PolarHBondContact O-OG 3.48Å; E31-L35 PolarHBondContact O-N 3.3Å |
| 32 | V | 89.5 | Confident | 74.9 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -59.4 | -29.5 | 177.8 | 74.6 | 0 | 0 | 0 | 0 | 112.6 | L30 S34 L35 I74 L77 L90 A93 | L30-V32 PolarHBondContact O-N 2.92Å; V32-S34 PolarHBondContact O-N 2.85Å; V32-L35 WeakPolarHBondContact O-CB 2.99Å; V32-L35 PolarHBondContact O-N 3.15Å; V32-I74 HydrophobicContact CG1-CD1 3.45Å; V32-I74 VanDerWaalsContact CG1-CD1 3.45Å; V32-L77 HydrophobicContact CG2-CD1 4.21Å; V32-L77 HydrophobicContact CG2-CD2 3.94Å; V32-L90 HydrophobicContact CG2-CB 4.38Å; V32-L90 HydrophobicContact CG2-CD2 3.85Å; V32-A93 HydrophobicContact CG1-CB 4.38Å |
| 33 | C | 91.5 | Very high | 76.6 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -69.6 | -16.6 | 176.6 | -53.8 | 0 | 0 | 0 | 0 | 113 | L30 E31 K59 R60 C61 | L30-C33 WeakPolarHBondContact O-CB 3.23Å; L30-C33 PolarHBondContact O-N 3.02Å; L30-C33 VanDerWaalsContact O-N 3.16Å; E31-C33 PolarHBondContact O-N 2.95Å; C33-K59 HydrophobicContact CB-CB 4.45Å; C33-K59 HydrophobicContact CB-CD 4.47Å; C33-K59 WeakPolarHBondContact O-CB 3.46Å; C33-R60 WeakPolarHBondContact O-CB 3.46Å; C33-R60 PolarHBondContact O-N 2.87Å; C33-C61 WeakPolarHBondContact CA-SG 3.42Å; C33-C61 HydrophobicContact CB-CB 3.72Å; C33-C61 WeakPolarHBondContact CB-SG 3.19Å; C33-C61 WeakPolarHBondContact SG-CB 3.44Å; C33-C61 CovalentContact SG-SG 2.03Å; C33-C61 PolarHBondContact SG-SG 3.17Å |
| 34 | S | 90.8 | Very high | 78.5 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 43% | 0.427 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -113 | 11.3 | 175.1 | 35.4 | 0 | 0 | 0 | 0 | 113.9 | E31 V32 C36 K59 | E31-S34 CarbonylContact O-C 3.58Å; E31-S34 WeakPolarHBondContact O-CA 3.48Å; E31-S34 PolarHBondContact O-N 2.02Å; E31-S34 PolarHBondContact O-OG 3.48Å; V32-S34 PolarHBondContact O-N 2.85Å; S34-C36 PolarHBondContact O-N 3.28Å; S34-C36 VanDerWaalsContact O-N 3.11Å; S34-K59 PolarHBondContact OG-NZ 2.9Å |
| 35 | L | 88.6 | Confident | 80.5 | Confident | 94 Ų | 94 | 71.3 Ų | 71.3 | 49% | 0.492 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -54.1 | -34.2 | 179.9 | -162.5 | 84 | 0 | 0 | 0 | 112 | E31 V32 L79 | E31-L35 PolarHBondContact O-N 3.3Å; V32-L35 WeakPolarHBondContact O-CB 2.99Å; V32-L35 PolarHBondContact O-N 3.15Å; L35-L79 HydrophobicContact CB-CD2 4Å; L35-L79 HydrophobicContact CD2-CD1 3.86Å; L35-L79 HydrophobicContact CD2-CD2 4.01Å |
| 36 | C | 88.8 | Confident | 82.8 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 14% | 0.135 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -133.6 | 154 | 166.6 | 49.6 | 0 | 0 | 0 | 0 | 111.5 | S34 C82 | S34-C36 PolarHBondContact O-N 3.28Å; S34-C36 VanDerWaalsContact O-N 3.11Å; C36-C82 HydrophobicContact CB-CB 3.43Å; C36-C82 VanDerWaalsContact CB-CB 3.43Å; C36-C82 WeakPolarHBondContact CB-SG 3.35Å; C36-C82 WeakPolarHBondContact SG-CB 3.46Å; C36-C82 CovalentContact SG-SG 2.03Å; C36-C82 PolarHBondContact SG-SG 3.48Å |
| 37 | G | 89.8 | Confident | 85.1 | Confident | 66 Ų | 66 | 58.6 Ų | 58.6 | 68% | 0.68 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -67.6 | 155.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | R60 | G37-R60 VanDerWaalsContact O-CZ 3.31Å; G37-R60 PolarHBondContact O-NE 2.83Å; G37-R60 PolarHBondContact O-NH2 3.3Å |
| 38 | G | 90.7 | Very high | 87.3 | Confident | 49 Ų | 49 | 56.2 Ų | 56.2 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 103.3 | -172.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 39 | T | 93.1 | Very high | 89.3 | Confident | 95 Ų | 95 | 55.7 Ų | 55.7 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | trans | -116.2 | 165.5 | 177.3 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | Q41 K59 R60 | T39-Q41 PolarHBondContact O-N 3.25Å; T39-K59 CarbonylContact C-O 3.53Å; T39-K59 WeakPolarHBondContact CA-O 2.91Å; T39-R60 VanDerWaalsContact O-CZ 3.27Å; T39-R60 PolarHBondContact O-NH1 3.11Å | ||
| 40 | V | 93.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -47.5 | 132.1 | 168 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | V46 D47 L57 K59 D78 | V40-V46 HydrophobicContact CG1-CB 4.08Å; V40-V46 HydrophobicContact CG1-CG1 3.91Å; V40-V46 HydrophobicContact CG2-CG1 4.28Å; V40-D47 HydrophobicContact CG1-CB 3.92Å; V40-L57 HydrophobicContact CB-CD1 4.5Å; V40-L57 HydrophobicContact CB-CD2 3.88Å; V40-L57 HydrophobicContact CG1-CD2 4.24Å; V40-L57 HydrophobicContact CG2-CD2 3.69Å; V40-K59 PolarHBondContact N-O 2.81Å; V40-D78 WeakPolarHBondContact CA-OD2 3.21Å; V40-D78 HydrophobicContact CB-CB 4.32Å; V40-D78 HydrophobicContact CG1-CB 4.07Å; V40-D78 HydrophobicContact CG2-CB 3.99Å |
| 41 | Q | 89.1 | Confident | 92.2 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 32% | 0.318 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 135.8 | -177.2 | -59.6 | -176.2 | 19.1 | 0 | 0 | 110.9 | T39 T44 D47 D78 S80 | T39-Q41 PolarHBondContact O-N 3.25Å; Q41-T44 HydrophobicContact CB-CG2 3.6Å; Q41-T44 WeakPolarHBondContact O-CB 3.29Å; Q41-T44 WeakPolarHBondContact O-CG2 3.29Å; Q41-T44 PolarHBondContact O-N 2.87Å; Q41-T44 PolarHBondContact O-OG1 2.86Å; Q41-D47 WeakPolarHBondContact O-CB 3.46Å; Q41-D78 PolarHBondContact N-OD2 2.72Å; Q41-S80 PolarHBondContact NE2-OG 3.43Å |
| 42 | N | 91.8 | Very high | 92.8 | Very high | 128 Ų | 128 | 55.7 Ų | 55.7 | 68% | 0.684 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 143.3 | -179.7 | -65.1 | -15.8 | 0 | 0 | 0 | 112 | T44 D47 | N42-T44 PolarHBondContact O-N 3.32Å; N42-D47 WeakPolarHBondContact CA-OD2 3.33Å |
| 43 | N | 90.1 | Very high | 93 | Very high | 135 Ų | 135 | 57.8 Ų | 57.8 | 72% | 0.722 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 14 | 179.8 | -50.5 | -67.7 | 0 | 0 | 0 | 114.9 | D47 N48 | N43-D47 PolarHBondContact N-OD2 3.28Å; N43-N48 PolarHBondContact O-ND2 2.84Å |
| 44 | T | 92.2 | Very high | 93 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 13% | 0.129 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -76.3 | 168.3 | 168 | 59 | 0 | 0 | 0 | 0 | 111.2 | Q41 N42 V46 D47 N48 | Q41-T44 HydrophobicContact CB-CG2 3.6Å; Q41-T44 WeakPolarHBondContact O-CB 3.29Å; Q41-T44 WeakPolarHBondContact O-CG2 3.29Å; Q41-T44 PolarHBondContact O-N 2.87Å; Q41-T44 PolarHBondContact O-OG1 2.86Å; N42-T44 PolarHBondContact O-N 3.32Å; T44-V46 VanDerWaalsContact C-N 3.27Å; T44-V46 PolarHBondContact O-N 3.13Å; T44-D47 PolarHBondContact O-N 3.04Å; T44-D47 WeakPolarHBondContact OG1-CB 3.37Å; T44-D47 PolarHBondContact OG1-N 2.96Å; T44-N48 WeakPolarHBondContact O-CB 3.44Å; T44-N48 PolarHBondContact O-N 3.06Å; T44-N48 PolarHBondContact O-ND2 2.86Å |
| 45 | Y | 94 | Very high | 93.1 | Very high | 83 Ų | 83 | 58.9 Ų | 58.9 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 173.7 | -76.2 | -81.9 | 0 | 0 | 0 | 111.9 | F49 F122 I124 L149 | Y45-F49 WeakPolarHBondContact O-CB 3.41Å; Y45-F49 PolarHBondContact O-N 2.92Å; Y45-F122 AromaticContact CD1-CE1 3.67Å; Y45-F122 HydrophobicContact CD1-CE1 3.67Å; Y45-F122 AromaticContact CD1-CZ 3.67Å; Y45-F122 HydrophobicContact CD1-CZ 3.67Å; Y45-F122 AromaticContact CD2-CE1 3.97Å; Y45-F122 HydrophobicContact CD2-CE1 3.97Å; Y45-F122 HydrophobicContact CD2-CZ 4.42Å; Y45-F122 HydrophobicContact CE1-CE1 4.03Å; Y45-F122 HydrophobicContact CE1-CE2 4.49Å; Y45-F122 AromaticContact CE1-CZ 3.6Å; Y45-F122 HydrophobicContact CE1-CZ 3.6Å; Y45-F122 HydrophobicContact CE2-CE1 4.29Å; Y45-F122 HydrophobicContact CE2-CZ 4.35Å; Y45-F122 HydrophobicContact CG-CD1 4.5Å; Y45-F122 AromaticContact CG-CE1 3.64Å; Y45-F122 HydrophobicContact CG-CE1 3.64Å; Y45-F122 HydrophobicContact CG-CZ 4.09Å; Y45-F122 AromaticContact CZ-CZ 3.95Å; Y45-I124 HydrophobicContact CD2-CD1 3.6Å; Y45-I124 HydrophobicContact CD2-CG1 4.41Å; Y45-I124 HydrophobicContact CG-CD1 3.94Å; Y45-L149 HydrophobicContact CE2-CD2 4.48Å |
| 46 | V | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 178.2 | -180 | 0 | 0 | 0 | 0 | 110.7 | V40 T44 F49 C50 D78 V98 D100 | V40-V46 HydrophobicContact CG1-CB 4.08Å; V40-V46 HydrophobicContact CG1-CG1 3.91Å; V40-V46 HydrophobicContact CG2-CG1 4.28Å; T44-V46 VanDerWaalsContact C-N 3.27Å; T44-V46 PolarHBondContact O-N 3.13Å; V46-F49 PolarHBondContact O-N 2.58Å; V46-C50 VanDerWaalsContact O-CB 3.29Å; V46-C50 WeakPolarHBondContact O-CB 3.01Å; V46-C50 PolarHBondContact O-N 2.9Å; V46-D78 HydrophobicContact CB-CB 4.17Å; V46-D78 HydrophobicContact CG1-CB 4.12Å; V46-D78 HydrophobicContact CG2-CB 4.14Å; V46-V98 HydrophobicContact CG2-CG1 4.21Å; V46-V98 HydrophobicContact CG2-CG2 3.99Å; V46-D100 HydrophobicContact CG2-CB 3.87Å |
| 47 | D | 96.3 | Very high | 93.6 | Very high | 20 Ų | 20 | 63.1 Ų | 63.1 | 11% | 0.107 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 177.1 | -178.7 | 43.6 | 0 | 0 | 0 | 112.4 | V40 Q41 N42 N43 T44 F49 C50 S51 | V40-D47 HydrophobicContact CG1-CB 3.92Å; Q41-D47 WeakPolarHBondContact O-CB 3.46Å; N42-D47 WeakPolarHBondContact CA-OD2 3.33Å; N43-D47 PolarHBondContact N-OD2 3.28Å; T44-D47 PolarHBondContact O-N 3.04Å; T44-D47 WeakPolarHBondContact OG1-CB 3.37Å; T44-D47 PolarHBondContact OG1-N 2.96Å; D47-F49 PolarHBondContact O-N 3.42Å; D47-C50 PolarHBondContact O-N 3.32Å; D47-S51 WeakPolarHBondContact O-CB 3.17Å; D47-S51 PolarHBondContact O-N 2.97Å; D47-S51 PolarHBondContact O-OG 3Å; D47-S51 VanDerWaalsContact O-OG 3.08Å |
| 48 | N | 96.7 | Very high | 93.7 | Very high | 85 Ų | 85 | 62.3 Ų | 62.3 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 178 | -72.9 | -49.1 | 0 | 0 | 0 | 111.7 | N43 T44 S51 S52 | N43-N48 PolarHBondContact O-ND2 2.84Å; T44-N48 WeakPolarHBondContact O-CB 3.44Å; T44-N48 PolarHBondContact O-N 3.06Å; T44-N48 PolarHBondContact O-ND2 2.86Å; N48-S51 PolarHBondContact O-N 3.34Å; N48-S52 WeakPolarHBondContact O-CB 3.04Å; N48-S52 PolarHBondContact O-N 3.16Å; N48-S52 PolarHBondContact O-OG 2.93Å |
| 49 | F | 96.6 | Very high | 93.9 | Very high | 58 Ų | 58 | 64.3 Ų | 64.3 | 25% | 0.254 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 175.6 | 172.3 | -98.9 | 0 | 0 | 0 | 111.1 | Y45 V46 D47 S51 S52 S53 I75 V97 V98 | Y45-F49 WeakPolarHBondContact O-CB 3.41Å; Y45-F49 PolarHBondContact O-N 2.92Å; V46-F49 PolarHBondContact O-N 2.58Å; D47-F49 PolarHBondContact O-N 3.42Å; F49-S51 VanDerWaalsContact C-N 3.34Å; F49-S51 PolarHBondContact O-N 2.9Å; F49-S52 WeakPolarHBondContact CA-OG 3.34Å; F49-S52 PolarHBondContact O-N 3.25Å; F49-S52 PolarHBondContact O-OG 2.88Å; F49-S53 WeakPolarHBondContact O-CB 3.45Å; F49-S53 PolarHBondContact O-N 3.46Å; F49-S53 PolarHBondContact O-OG 3.24Å; F49-I75 HydrophobicContact CE1-CB 4.09Å; F49-I75 HydrophobicContact CE1-CD1 4.01Å; F49-I75 HydrophobicContact CE1-CG1 4.07Å; F49-I75 WeakPolarHBondContact CE1-O 3.28Å; F49-V97 HydrophobicContact CE1-CB 4.27Å; F49-V97 HydrophobicContact CE2-CB 4.38Å; F49-V97 HydrophobicContact CE2-CG1 4.03Å; F49-V97 HydrophobicContact CZ-CB 3.75Å; F49-V97 HydrophobicContact CZ-CG1 3.89Å; F49-V97 HydrophobicContact CZ-CG2 4.19Å; F49-V98 HydrophobicContact CB-CG1 4.03Å; F49-V98 HydrophobicContact CD1-CB 4.49Å; F49-V98 HydrophobicContact CD1-CG1 3.36Å; F49-V98 HydrophobicContact CE1-CG1 3.92Å; F49-V98 HydrophobicContact CG-CG1 3.73Å |
| 50 | C | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -46.2 | -180 | -160.1 | 0 | 0 | 0 | 0 | 111.8 | V46 D47 S52 S53 A54 G55 L57 C62 | V46-C50 VanDerWaalsContact O-CB 3.29Å; V46-C50 WeakPolarHBondContact O-CB 3.01Å; V46-C50 PolarHBondContact O-N 2.9Å; D47-C50 PolarHBondContact O-N 3.32Å; C50-S52 PolarHBondContact O-N 2.86Å; C50-S53 WeakPolarHBondContact CA-OG 2.97Å; C50-S53 PolarHBondContact O-N 3.16Å; C50-S53 PolarHBondContact O-OG 2.87Å; C50-A54 PolarHBondContact O-N 3.3Å; C50-G55 PolarHBondContact O-N 2.76Å; C50-L57 HydrophobicContact CB-CD2 3.88Å; C50-L57 VanDerWaalsContact SG-CD2 3.51Å; C50-C62 WeakPolarHBondContact CA-SG 3.38Å; C50-C62 HydrophobicContact CB-CB 3.56Å; C50-C62 WeakPolarHBondContact CB-SG 3.47Å; C50-C62 WeakPolarHBondContact SG-CB 3.23Å; C50-C62 CovalentContact SG-SG 2.02Å; C50-C62 PolarHBondContact SG-SG 3.17Å |
| 51 | S | 95.8 | Very high | 94 | Very high | 84 Ų | 84 | 60.9 Ų | 60.9 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.4 | -44.2 | 175.9 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | D47 N48 F49 S53 A54 | D47-S51 WeakPolarHBondContact O-CB 3.17Å; D47-S51 PolarHBondContact O-N 2.97Å; D47-S51 PolarHBondContact O-OG 3Å; D47-S51 VanDerWaalsContact O-OG 3.08Å; N48-S51 PolarHBondContact O-N 3.34Å; F49-S51 VanDerWaalsContact C-N 3.34Å; F49-S51 PolarHBondContact O-N 2.9Å; S51-S53 VanDerWaalsContact C-N 3.32Å; S51-S53 PolarHBondContact O-N 2.02Å; S51-A54 PolarHBondContact O-N 3.31Å |
| 52 | S | 95.9 | Very high | 94.3 | Very high | 99 Ų | 99 | 57.6 Ų | 57.6 | 69% | 0.692 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -69.4 | -27.2 | -179.5 | 73.5 | 0 | 0 | 0 | 0 | 114.1 | N48 F49 C50 A54 | N48-S52 WeakPolarHBondContact O-CB 3.04Å; N48-S52 PolarHBondContact O-N 3.16Å; N48-S52 PolarHBondContact O-OG 2.93Å; F49-S52 WeakPolarHBondContact CA-OG 3.34Å; F49-S52 PolarHBondContact O-N 3.25Å; F49-S52 PolarHBondContact O-OG 2.88Å; C50-S52 PolarHBondContact O-N 2.86Å; S52-A54 VanDerWaalsContact C-N 3.3Å |
| 53 | S | 93.6 | Very high | 94.4 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 5.4 | 178.2 | 54.1 | 0 | 0 | 0 | 0 | 113 | F49 C50 S51 G55 I75 | F49-S53 WeakPolarHBondContact O-CB 3.45Å; F49-S53 PolarHBondContact O-N 3.46Å; F49-S53 PolarHBondContact O-OG 3.24Å; C50-S53 WeakPolarHBondContact CA-OG 2.97Å; C50-S53 PolarHBondContact O-N 3.16Å; C50-S53 PolarHBondContact O-OG 2.87Å; S51-S53 VanDerWaalsContact C-N 3.32Å; S51-S53 PolarHBondContact O-N 2.02Å; S53-G55 PolarHBondContact O-N 3.29Å; S53-G55 VanDerWaalsContact O-N 3.15Å; S53-I75 WeakPolarHBondContact OG-CD1 3.34Å |
| 54 | A | 93.1 | Very high | 94.5 | Very high | 64 Ų | 64 | 46 Ų | 46 | 53% | 0.529 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 26.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | C50 S51 S52 N65 | C50-A54 PolarHBondContact O-N 3.3Å; S51-A54 PolarHBondContact O-N 3.31Å; S52-A54 VanDerWaalsContact C-N 3.3Å; A54-N65 WeakPolarHBondContact O-CB 3.02Å; A54-N65 PolarHBondContact O-ND2 3.29Å; A54-N65 VanDerWaalsContact O-ND2 3.09Å |
| 55 | G | 93 | Very high | 94.1 | Very high | 19 Ų | 19 | 50 Ų | 50 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | trans | -72.4 | 165.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C50 S53 L63 | C50-G55 PolarHBondContact O-N 2.76Å; S53-G55 PolarHBondContact O-N 3.29Å; S53-G55 VanDerWaalsContact O-N 3.15Å; G55-L63 CarbonylContact C-O 3.47Å; G55-L63 VanDerWaalsContact CA-O 3.23Å; G55-L63 WeakPolarHBondContact CA-O 3.34Å | ||
| 56 | R | 93.4 | Very high | 93.3 | Very high | 128 Ų | 128 | 49.9 Ų | 49.9 | 48% | 0.483 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.1 | 176.9 | -175.8 | -174.8 | 68.7 | 165.3 | -0.7 | 109.5 | L63 E72 | R56-L63 PolarHBondContact N-O 2.87Å; R56-L63 VanDerWaalsContact NH2-CD1 3.34Å; R56-L63 WeakPolarHBondContact O-CB 3.03Å; R56-L63 PolarHBondContact O-N 2.86Å; R56-E72 IonicContact CZ-OE1 3.46Å; R56-E72 VanDerWaalsContact NH2-CD 3.31Å; R56-E72 IonicContact NH2-OE1 3.74Å; R56-E72 PolarHBondContact NH2-OE1 2.81Å; R56-E72 IonicContact NH2-OE2 3.79Å |
| 57 | L | 93.6 | Very high | 91.8 | Very high | 75 Ų | 75 | 58 Ų | 58 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 129.8 | 171.2 | -62.8 | 176.6 | 0 | 0 | 0 | 110.5 | V40 C50 C61 C62 | V40-L57 HydrophobicContact CB-CD1 4.5Å; V40-L57 HydrophobicContact CB-CD2 3.88Å; V40-L57 HydrophobicContact CG1-CD2 4.24Å; V40-L57 HydrophobicContact CG2-CD2 3.69Å; C50-L57 HydrophobicContact CB-CD2 3.88Å; C50-L57 VanDerWaalsContact SG-CD2 3.51Å; L57-C61 WeakPolarHBondContact CA-O 3.47Å; L57-C62 HydrophobicContact CD2-CB 4.34Å |
| 58 | D | 92.4 | Very high | 90.1 | Very high | 49 Ų | 49 | 59.8 Ų | 59.8 | 26% | 0.262 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 113.4 | 164.5 | -177.7 | 54.8 | 0 | 0 | 0 | 109 | L30 R60 C61 L63 | L30-D58 WeakPolarHBondContact CD2-OD2 3.35Å; D58-R60 PolarHBondContact O-N 3.2Å; D58-R60 VanDerWaalsContact O-N 3.16Å; D58-C61 PolarHBondContact N-O 2.8Å; D58-C61 WeakPolarHBondContact O-CA 3.19Å; D58-C61 WeakPolarHBondContact O-CB 3.06Å; D58-C61 PolarHBondContact O-N 2.81Å; D58-L63 HydrophobicContact CB-CD1 3.62Å; D58-L63 HydrophobicContact CB-CG 4.19Å |
| 59 | K | 93.7 | Very high | 88.2 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 40% | 0.4 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | -120.4 | -173.6 | -53.5 | 172.7 | -172 | 159.5 | 0 | 111 | C33 S34 T39 V40 C61 | C33-K59 HydrophobicContact CB-CB 4.45Å; C33-K59 HydrophobicContact CB-CD 4.47Å; C33-K59 WeakPolarHBondContact O-CB 3.46Å; S34-K59 PolarHBondContact OG-NZ 2.9Å; T39-K59 CarbonylContact C-O 3.53Å; T39-K59 WeakPolarHBondContact CA-O 2.91Å; V40-K59 PolarHBondContact N-O 2.81Å; K59-C61 VanDerWaalsContact C-N 3.34Å |
| 60 | R | 94.6 | Very high | 86.5 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 9% | 0.087 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1.6 | 178.6 | -65.7 | -55.3 | -170 | 167.2 | -8.6 | 114.5 | C33 G37 T39 D58 D78 | C33-R60 WeakPolarHBondContact O-CB 3.46Å; C33-R60 PolarHBondContact O-N 2.87Å; G37-R60 VanDerWaalsContact O-CZ 3.31Å; G37-R60 PolarHBondContact O-NE 2.83Å; G37-R60 PolarHBondContact O-NH2 3.3Å; T39-R60 VanDerWaalsContact O-CZ 3.27Å; T39-R60 PolarHBondContact O-NH1 3.11Å; D58-R60 PolarHBondContact O-N 3.2Å; D58-R60 VanDerWaalsContact O-N 3.16Å; R60-D78 VanDerWaalsContact CB-O 3.31Å; R60-D78 WeakPolarHBondContact CB-O 3.34Å; R60-D78 VanDerWaalsContact CD-O 3.28Å; R60-D78 WeakPolarHBondContact CD-O 3.4Å; R60-D78 IonicContact NH1-OD2 2.63Å; R60-D78 PolarHBondContact O-N 3.36Å |
| 61 | C | 94.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 146.8 | -178.4 | -73.2 | 0 | 0 | 0 | 0 | 112.3 | C33 L57 D58 K59 L63 I74 G76 | C33-C61 WeakPolarHBondContact CA-SG 3.42Å; C33-C61 HydrophobicContact CB-CB 3.72Å; C33-C61 WeakPolarHBondContact CB-SG 3.19Å; C33-C61 WeakPolarHBondContact SG-CB 3.44Å; C33-C61 CovalentContact SG-SG 2.03Å; C33-C61 PolarHBondContact SG-SG 3.17Å; L57-C61 WeakPolarHBondContact CA-O 3.47Å; D58-C61 PolarHBondContact N-O 2.8Å; D58-C61 WeakPolarHBondContact O-CA 3.19Å; D58-C61 WeakPolarHBondContact O-CB 3.06Å; D58-C61 PolarHBondContact O-N 2.81Å; K59-C61 VanDerWaalsContact C-N 3.34Å; C61-L63 HydrophobicContact CB-CD2 4.15Å; C61-I74 HydrophobicContact CB-CG2 3.95Å; C61-G76 CarbonylContact C-O 3.59Å; C61-G76 WeakPolarHBondContact CA-O 3.16Å |
| 62 | C | 95.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.7 | 155.5 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | C50 L57 I75 G76 | C50-C62 WeakPolarHBondContact CA-SG 3.38Å; C50-C62 HydrophobicContact CB-CB 3.56Å; C50-C62 WeakPolarHBondContact CB-SG 3.47Å; C50-C62 WeakPolarHBondContact SG-CB 3.23Å; C50-C62 CovalentContact SG-SG 2.02Å; C50-C62 PolarHBondContact SG-SG 3.17Å; L57-C62 HydrophobicContact CD2-CB 4.34Å; C62-I75 HydrophobicContact CB-CG1 4.23Å; C62-I75 WeakPolarHBondContact O-CG1 3.26Å; C62-I75 PolarHBondContact O-N 3.23Å; C62-G76 PolarHBondContact N-O 2.9Å; C62-G76 PolarHBondContact O-N 3.1Å; C62-G76 VanDerWaalsContact O-N 3.17Å |
| 63 | L | 93.8 | Very high | 83.9 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 138.8 | 176.6 | -55.5 | 176.7 | 0 | 0 | 0 | 109.7 | G55 R56 D58 C61 E72 R73 I74 | G55-L63 CarbonylContact C-O 3.47Å; G55-L63 VanDerWaalsContact CA-O 3.23Å; G55-L63 WeakPolarHBondContact CA-O 3.34Å; R56-L63 PolarHBondContact N-O 2.87Å; R56-L63 VanDerWaalsContact NH2-CD1 3.34Å; R56-L63 WeakPolarHBondContact O-CB 3.03Å; R56-L63 PolarHBondContact O-N 2.86Å; D58-L63 HydrophobicContact CB-CD1 3.62Å; D58-L63 HydrophobicContact CB-CG 4.19Å; C61-L63 HydrophobicContact CB-CD2 4.15Å; L63-E72 HydrophobicContact CD1-CB 4.29Å; L63-E72 WeakPolarHBondContact CD1-OE2 3.41Å; L63-E72 HydrophobicContact CD2-CB 4.44Å; L63-R73 CarbonylContact C-O 3.46Å; L63-R73 WeakPolarHBondContact CA-O 3.32Å; L63-I74 HydrophobicContact CD2-CB 4.44Å; L63-I74 HydrophobicContact CD2-CG1 3.79Å |
| 64 | A | 92.3 | Very high | 83.9 | Confident | 18 Ų | 18 | 66 Ų | 66 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 140.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | D66 R73 I75 | A64-D66 VanDerWaalsContact C-N 3.28Å; A64-D66 WeakPolarHBondContact CB-OD2 3.38Å; A64-D66 PolarHBondContact O-N 3.02Å; A64-R73 HydrophobicContact CB-CB 4.18Å; A64-R73 PolarHBondContact N-O 2.79Å; A64-I75 HydrophobicContact CB-CD1 4.29Å; A64-I75 HydrophobicContact CB-CG1 4.48Å; A64-I75 HydrophobicContact CB-CG2 3.79Å |
| 65 | N | 84.9 | Confident | 84 | Confident | 103 Ų | 103 | 63.5 Ų | 63.5 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | trans | -96.1 | 62.4 | 174.9 | -169.1 | 14.9 | 0 | 0 | 0 | 109.4 | A54 | A54-N65 WeakPolarHBondContact O-CB 3.02Å; A54-N65 PolarHBondContact O-ND2 3.29Å; A54-N65 VanDerWaalsContact O-ND2 3.09Å | ||
| 66 | D | 77.1 | Confident | 84.1 | Confident | 82 Ų | 82 | 62.6 Ų | 62.6 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | trans | -94.2 | 123.3 | -179.8 | -62.7 | -27.5 | 0 | 0 | 0 | 108.3 | A64 S68 R73 | A64-D66 VanDerWaalsContact C-N 3.28Å; A64-D66 WeakPolarHBondContact CB-OD2 3.38Å; A64-D66 PolarHBondContact O-N 3.02Å; D66-S68 WeakPolarHBondContact CB-OG 3.35Å; D66-S68 PolarHBondContact O-N 2.88Å; D66-R73 IonicContact OD1-NH2 3.89Å; D66-R73 IonicContact OD2-CZ 2.69Å; D66-R73 IonicContact OD2-NE 3.2Å; D66-R73 PolarHBondContact OD2-NE 2.89Å; D66-R73 IonicContact OD2-NH2 2.81Å; D66-R73 PolarHBondContact OD2-NH2 2.58Å | ||
| 67 | N | 65.1 | Low | 84.3 | Confident | 169 Ų | 169 | 56.5 Ų | 56.5 | 90% | 0.904 | 31% | 0.307 | S | S | * | . | trans | -71.3 | 9.4 | 175.9 | -80.8 | -24.3 | 0 | 0 | 0 | 113.2 | ||||
| 68 | S | 60.3 | Low | 84.4 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -72.6 | 149.4 | 176.9 | 44.2 | 0 | 0 | 0 | 0 | 110.4 | D66 D70 | D66-S68 WeakPolarHBondContact CB-OG 3.35Å; D66-S68 PolarHBondContact O-N 2.88Å; S68-D70 PolarHBondContact O-N 2.81Å |
| 69 | S | 57.4 | Low | 84.6 | Confident | 135 Ų | 135 | 50.6 Ų | 50.6 | 94% | 0.944 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -66.2 | 17.7 | 168.3 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 70 | D | 59.3 | Low | 84.6 | Confident | 120 Ų | 120 | 46.3 Ų | 46.3 | 64% | 0.642 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -82.6 | 155 | -177.3 | -100.6 | -24.1 | 0 | 0 | 0 | 111.2 | S68 | S68-D70 PolarHBondContact O-N 2.81Š|
| 71 | P | 67.5 | Low | 84.6 | Confident | 63 Ų | 63 | 48.3 Ų | 48.3 | 41% | 0.409 | 28% | 0.275 | S | S | . | . | trans | -48.2 | 147.1 | 168 | 12.1 | -24.2 | 0 | 0 | 0 | 112.1 | R73 | P71-R73 PolarHBondContact O-N 3.16Š| ||
| 72 | E | 77.9 | Confident | 84.6 | Confident | 95 Ų | 95 | 49.5 Ų | 49.5 | 44% | 0.444 | 28% | 0.283 | S | S | . | . | trans | -54 | 109.4 | 173.2 | -64.7 | -173.3 | 158.2 | 0 | 0 | 110.1 | L30 R56 L63 | L30-E72 HydrophobicContact CD1-CB 4.3Å; R56-E72 IonicContact CZ-OE1 3.46Å; R56-E72 VanDerWaalsContact NH2-CD 3.31Å; R56-E72 IonicContact NH2-OE1 3.74Å; R56-E72 PolarHBondContact NH2-OE1 2.81Å; R56-E72 IonicContact NH2-OE2 3.79Å; L63-E72 HydrophobicContact CD1-CB 4.29Å; L63-E72 WeakPolarHBondContact CD1-OE2 3.41Å; L63-E72 HydrophobicContact CD2-CB 4.44Å | ||
| 73 | R | 88.7 | Confident | 84.6 | Confident | 89 Ų | 89 | 54.1 Ų | 54.1 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | trans | -89.5 | 123.3 | -175 | -174.2 | 175 | 62 | 96.3 | -1.1 | 110.3 | L63 A64 D66 P71 T95 | L63-R73 CarbonylContact C-O 3.46Å; L63-R73 WeakPolarHBondContact CA-O 3.32Å; A64-R73 HydrophobicContact CB-CB 4.18Å; A64-R73 PolarHBondContact N-O 2.79Å; D66-R73 IonicContact OD1-NH2 3.89Å; D66-R73 IonicContact OD2-CZ 2.69Å; D66-R73 IonicContact OD2-NE 3.2Å; D66-R73 PolarHBondContact OD2-NE 2.89Å; D66-R73 IonicContact OD2-NH2 2.81Å; D66-R73 PolarHBondContact OD2-NH2 2.58Å; P71-R73 PolarHBondContact O-N 3.16Å; R73-T95 HydrophobicContact CG-CG2 4.17Å; R73-T95 WeakPolarHBondContact CG-OG1 3.4Å | ||
| 74 | I | 93.1 | Very high | 84.6 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 118.2 | 179.4 | -50.7 | 171.6 | 0 | 0 | 0 | 109.1 | G29 V32 C61 L63 G76 T95 V96 | G29-I74 VanDerWaalsContact O-CD1 3.27Å; G29-I74 WeakPolarHBondContact O-CD1 3.26Å; V32-I74 HydrophobicContact CG1-CD1 3.45Å; V32-I74 VanDerWaalsContact CG1-CD1 3.45Å; C61-I74 HydrophobicContact CB-CG2 3.95Å; L63-I74 HydrophobicContact CD2-CB 4.44Å; L63-I74 HydrophobicContact CD2-CG1 3.79Å; I74-G76 WeakPolarHBondContact CG2-O 3.29Å; I74-T95 CarbonylContact O-C 3.56Å; I74-T95 VanDerWaalsContact O-C 3.31Å; I74-T95 PolarHBondContact O-OG1 3.21Å; I74-T95 VanDerWaalsContact O-OG1 3.11Å; I74-V96 HydrophobicContact CB-CG2 3.98Å; I74-V96 HydrophobicContact CG2-CG2 3.6Å; I74-V96 WeakPolarHBondContact O-CA 3.35Å; I74-V96 WeakPolarHBondContact O-CG2 3.32Å; I74-V96 PolarHBondContact O-N 3.36Å |
| 75 | I | 95.1 | Very high | 84.6 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.051 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -16.5 | 179.7 | 56.3 | 169.6 | 0 | 0 | 0 | 113.3 | F49 S53 C62 A64 V97 V98 | F49-I75 HydrophobicContact CE1-CB 4.09Å; F49-I75 HydrophobicContact CE1-CD1 4.01Å; F49-I75 HydrophobicContact CE1-CG1 4.07Å; F49-I75 WeakPolarHBondContact CE1-O 3.28Å; S53-I75 WeakPolarHBondContact OG-CD1 3.34Å; C62-I75 HydrophobicContact CB-CG1 4.23Å; C62-I75 WeakPolarHBondContact O-CG1 3.26Å; C62-I75 PolarHBondContact O-N 3.23Å; A64-I75 HydrophobicContact CB-CD1 4.29Å; A64-I75 HydrophobicContact CB-CG1 4.48Å; A64-I75 HydrophobicContact CB-CG2 3.79Å; I75-V97 PolarHBondContact O-N 2.99Å; I75-V98 PolarHBondContact O-N 2.98Å |
| 76 | G | 96.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 145 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | C61 C62 I74 V98 | C61-G76 CarbonylContact C-O 3.59Å; C61-G76 WeakPolarHBondContact CA-O 3.16Å; C62-G76 PolarHBondContact N-O 2.9Å; C62-G76 PolarHBondContact O-N 3.1Å; C62-G76 VanDerWaalsContact O-N 3.17Å; I74-G76 WeakPolarHBondContact CG2-O 3.29Å; G76-V98 CarbonylContact C-O 3.43Å; G76-V98 WeakPolarHBondContact CA-O 3.05Å |
| 77 | L | 96.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 117.3 | -177.4 | 179 | 61.7 | 0 | 0 | 0 | 110.2 | V32 L79 L90 A93 V96 V98 I99 D100 | V32-L77 HydrophobicContact CG2-CD1 4.21Å; V32-L77 HydrophobicContact CG2-CD2 3.94Å; L77-L79 HydrophobicContact CD1-CD1 4.42Å; L77-L79 HydrophobicContact CD1-CD2 4.15Å; L77-L79 HydrophobicContact CD1-CG 4Å; L77-L79 HydrophobicContact CD2-CD1 3.86Å; L77-L79 HydrophobicContact CD2-CG 4.22Å; L77-L79 HydrophobicContact CG-CD1 4.1Å; L77-L79 HydrophobicContact CG-CG 3.89Å; L77-L90 HydrophobicContact CD2-CD1 4.14Å; L77-L90 HydrophobicContact CD2-CD2 4.38Å; L77-A93 HydrophobicContact CD2-CB 4.45Å; L77-V96 HydrophobicContact CB-CG1 4.16Å; L77-V96 HydrophobicContact CB-CG2 4.31Å; L77-V98 PolarHBondContact N-O 3.08Å; L77-I99 HydrophobicContact CB-CG1 4.33Å; L77-I99 CarbonylContact O-C 3.57Å; L77-I99 WeakPolarHBondContact O-CA 3.43Å; L77-D100 PolarHBondContact O-N 2.82Å |
| 78 | D | 96.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 96.7 | 177.2 | 179.7 | 6.6 | 0 | 0 | 0 | 110.2 | V40 Q41 V46 R60 S80 | V40-D78 WeakPolarHBondContact CA-OD2 3.21Å; V40-D78 HydrophobicContact CB-CB 4.32Å; V40-D78 HydrophobicContact CG1-CB 4.07Å; V40-D78 HydrophobicContact CG2-CB 3.99Å; Q41-D78 PolarHBondContact N-OD2 2.72Å; V46-D78 HydrophobicContact CB-CB 4.17Å; V46-D78 HydrophobicContact CG1-CB 4.12Å; V46-D78 HydrophobicContact CG2-CB 4.14Å; R60-D78 VanDerWaalsContact CB-O 3.31Å; R60-D78 WeakPolarHBondContact CB-O 3.34Å; R60-D78 VanDerWaalsContact CD-O 3.28Å; R60-D78 WeakPolarHBondContact CD-O 3.4Å; R60-D78 IonicContact NH1-OD2 2.63Å; R60-D78 PolarHBondContact O-N 3.36Å; D78-S80 WeakPolarHBondContact OD1-CB 3.18Å; D78-S80 PolarHBondContact OD1-N 2.79Å; D78-S80 PolarHBondContact OD1-OG 2.8Å |
| 79 | L | 95.6 | Very high | 87.6 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | trans | -105 | 24.4 | 172.4 | -64.8 | 177.7 | 0 | 0 | 0 | 111.2 | L35 L77 L84 L90 D100 L101 N104 | L35-L79 HydrophobicContact CB-CD2 4Å; L35-L79 HydrophobicContact CD2-CD1 3.86Å; L35-L79 HydrophobicContact CD2-CD2 4.01Å; L77-L79 HydrophobicContact CD1-CD1 4.42Å; L77-L79 HydrophobicContact CD1-CD2 4.15Å; L77-L79 HydrophobicContact CD1-CG 4Å; L77-L79 HydrophobicContact CD2-CD1 3.86Å; L77-L79 HydrophobicContact CD2-CG 4.22Å; L77-L79 HydrophobicContact CG-CD1 4.1Å; L77-L79 HydrophobicContact CG-CG 3.89Å; L79-L84 HydrophobicContact CB-CD1 4.07Å; L79-L90 HydrophobicContact CD1-CD2 3.91Å; L79-D100 CarbonylContact C-O 3.6Å; L79-D100 VanDerWaalsContact CA-O 3.29Å; L79-D100 WeakPolarHBondContact CA-O 3.49Å; L79-D100 PolarHBondContact N-O 3.36Å; L79-L101 HydrophobicContact CB-CD2 3.88Å; L79-L101 HydrophobicContact CD1-CD2 4.17Å; L79-N104 PolarHBondContact O-ND2 2.96Å | ||
| 80 | S | 95.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 145.1 | 178.5 | 69 | 0 | 0 | 0 | 0 | 111.7 | Q41 D78 C82 D100 S102 | Q41-S80 PolarHBondContact NE2-OG 3.43Å; D78-S80 WeakPolarHBondContact OD1-CB 3.18Å; D78-S80 PolarHBondContact OD1-N 2.79Å; D78-S80 PolarHBondContact OD1-OG 2.8Å; S80-C82 PolarHBondContact O-N 3.14Å; S80-C82 PolarHBondContact O-SG 2.99Å; S80-C82 VanDerWaalsContact O-SG 3.36Å; S80-D100 PolarHBondContact N-O 3.24Å; S80-D100 VanDerWaalsContact N-O 3.16Å; S80-S102 CarbonylContact C-O 3.49Å; S80-S102 WeakPolarHBondContact CA-O 3.49Å; S80-S102 WeakPolarHBondContact CB-O 3.11Å |
| 81 | S | 94.6 | Very high | 90.2 | Very high | 66 Ų | 66 | 51.1 Ų | 51.1 | 46% | 0.462 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 35.8 | 176.4 | -173.6 | 0 | 0 | 0 | 0 | 114.2 | S102 L103 | S81-S102 PolarHBondContact N-O 2.87Å; S81-L103 WeakPolarHBondContact CA-O 3.19Å |
| 82 | C | 93.9 | Very high | 90.9 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -97.7 | 7.9 | -178.9 | -69.9 | 0 | 0 | 0 | 0 | 113.7 | C36 S80 L84 N104 | C36-C82 HydrophobicContact CB-CB 3.43Å; C36-C82 VanDerWaalsContact CB-CB 3.43Å; C36-C82 WeakPolarHBondContact CB-SG 3.35Å; C36-C82 WeakPolarHBondContact SG-CB 3.46Å; C36-C82 CovalentContact SG-SG 2.03Å; C36-C82 PolarHBondContact SG-SG 3.48Å; S80-C82 PolarHBondContact O-N 3.14Å; S80-C82 PolarHBondContact O-SG 2.99Å; S80-C82 VanDerWaalsContact O-SG 3.36Å; C82-L84 HydrophobicContact CB-CD1 4.1Å; C82-L84 HydrophobicContact CB-CD2 4.29Å; C82-L84 HydrophobicContact CB-CG 3.8Å; C82-L84 PolarHBondContact O-N 2.04Å; C82-N104 VanDerWaalsContact C-OD1 3.32Å; C82-N104 WeakPolarHBondContact CA-OD1 3.27Å; C82-N104 PolarHBondContact N-OD1 2.94Å |
| 83 | S | 94.8 | Very high | 91.4 | Very high | 97 Ų | 97 | 45.7 Ų | 45.7 | 68% | 0.678 | 26% | 0.261 | S | S | * | . | trans | 55.9 | 29.6 | -175.2 | -58.7 | 0 | 0 | 0 | 0 | 113.4 | T85 N104 | S83-T85 PolarHBondContact O-N 3.4Å; S83-N104 PolarHBondContact N-OD1 2.03Å | ||
| 84 | L | 93.9 | Very high | 91.4 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | trans | -71.2 | 127.3 | 179.2 | -58.4 | 174.9 | 0 | 0 | 0 | 110 | L79 C82 L101 N104 P105 I106 | L79-L84 HydrophobicContact CB-CD1 4.07Å; C82-L84 HydrophobicContact CB-CD1 4.1Å; C82-L84 HydrophobicContact CB-CD2 4.29Å; C82-L84 HydrophobicContact CB-CG 3.8Å; C82-L84 PolarHBondContact O-N 2.04Å; L84-L101 HydrophobicContact CD1-CD2 4.18Å; L84-N104 HydrophobicContact CB-CB 4.17Å; L84-N104 PolarHBondContact N-OD1 3.2Å; L84-P105 CarbonylContact O-C 3.6Å; L84-P105 WeakPolarHBondContact O-CD 3.07Å; L84-P105 WeakPolarHBondContact O-CG 3.41Å; L84-I106 HydrophobicContact CB-CG1 4.39Å; L84-I106 VanDerWaalsContact O-CG1 3.26Å; L84-I106 WeakPolarHBondContact O-CG1 2.97Å; L84-I106 PolarHBondContact O-N 3.07Å | ||
| 85 | T | 93.6 | Very high | 91.3 | Very high | 88 Ų | 88 | 45.9 Ų | 45.9 | 54% | 0.54 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -97.3 | -22.8 | 174.4 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | S83 P105 | S83-T85 PolarHBondContact O-N 3.4Å; T85-P105 HydrophobicContact CG2-CG 4.01Å |
| 86 | Q | 91.3 | Very high | 91.3 | Very high | 132 Ų | 132 | 45.4 Ų | 45.4 | 62% | 0.617 | 27% | 0.272 | S | S | * | . | trans | -142.1 | 154.9 | 176.4 | -63 | -173.1 | 2.5 | 0 | 0 | 108.8 | ||||
| 87 | V | 90.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 47 Ų | 47 | 10% | 0.097 | 28% | 0.282 | C | S | . | . | trans | -116 | 114.8 | 172.6 | -171.4 | 0 | 0 | 0 | 0 | 106.3 | L90 L101 I106 I109 V113 | V87-L90 HydrophobicContact CG1-CD1 4.49Å; V87-L101 HydrophobicContact CG1-CD2 4.47Å; V87-L101 HydrophobicContact CG2-CD1 4.08Å; V87-L101 HydrophobicContact CG2-CD2 3.93Å; V87-I106 HydrophobicContact CG2-CD1 3.64Å; V87-I106 HydrophobicContact CG2-CG1 4.36Å; V87-I109 HydrophobicContact CG2-CD1 4.25Å; V87-I109 HydrophobicContact CG2-CG1 4.38Å; V87-V113 HydrophobicContact CB-CG1 4.48Å; V87-V113 HydrophobicContact CG1-CG1 3.78Å; V87-V113 VanDerWaalsContact O-CG2 3.26Å; V87-V113 WeakPolarHBondContact O-CG2 3.36Å | ||
| 88 | E | 84.8 | Confident | 91.4 | Very high | 149 Ų | 149 | 47.2 Ų | 47.2 | 70% | 0.696 | 28% | 0.283 | S | S | * | . | trans | -96.6 | -166.8 | 173.2 | -64.2 | -173.2 | -179.5 | 0 | 0 | 109.6 | L90 | E88-L90 PolarHBondContact O-N 3.01Š| ||
| 89 | D | 83.2 | Confident | 91.4 | Very high | 130 Ų | 130 | 47.2 Ų | 47.2 | 70% | 0.695 | 28% | 0.283 | S | S | * | . | trans | -51.3 | 139.1 | 177.9 | -86 | -17 | 0 | 0 | 0 | 112.1 | P91 | D89-P91 VanDerWaalsContact C-CD 3.4Å; D89-P91 WeakPolarHBondContact O-CD 3.36Å | ||
| 90 | L | 88.4 | Confident | 91.5 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | trans | -109.5 | 74.3 | 175.2 | -64.3 | 175.9 | 0 | 0 | 0 | 108.6 | V32 L77 L79 V87 E88 G92 A93 I99 F117 | V32-L90 HydrophobicContact CG2-CB 4.38Å; V32-L90 HydrophobicContact CG2-CD2 3.85Å; L77-L90 HydrophobicContact CD2-CD1 4.14Å; L77-L90 HydrophobicContact CD2-CD2 4.38Å; L79-L90 HydrophobicContact CD1-CD2 3.91Å; V87-L90 HydrophobicContact CG1-CD1 4.49Å; E88-L90 PolarHBondContact O-N 3.01Å; L90-G92 PolarHBondContact O-N 2.88Å; L90-A93 HydrophobicContact CB-CB 4.04Å; L90-A93 WeakPolarHBondContact O-CB 3.38Å; L90-A93 PolarHBondContact O-N 3.15Å; L90-I99 HydrophobicContact CD1-CD1 4.35Å; L90-F117 HydrophobicContact CB-CZ 3.87Å; L90-F117 HydrophobicContact CD1-CZ 4.22Å | ||
| 91 | P | 82.4 | Confident | 91.6 | Very high | 68 Ų | 68 | 47.4 Ų | 47.4 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 136.6 | -172.5 | 26.9 | -35.6 | 0 | 0 | 0 | 111 | D89 A93 | D89-P91 VanDerWaalsContact C-CD 3.4Å; D89-P91 WeakPolarHBondContact O-CD 3.36Å; P91-A93 PolarHBondContact O-N 3.29Å |
| 92 | G | 82.6 | Confident | 91.6 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 45% | 0.454 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 0.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L90 | L90-G92 PolarHBondContact O-N 2.88Š|
| 93 | A | 88.6 | Confident | 91.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -98.7 | 11.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V32 L77 L90 P91 T95 V96 F117 | V32-A93 HydrophobicContact CG1-CB 4.38Å; L77-A93 HydrophobicContact CD2-CB 4.45Å; L90-A93 HydrophobicContact CB-CB 4.04Å; L90-A93 WeakPolarHBondContact O-CB 3.38Å; L90-A93 PolarHBondContact O-N 3.15Å; P91-A93 PolarHBondContact O-N 3.29Å; A93-T95 PolarHBondContact O-N 3.38Å; A93-V96 HydrophobicContact CB-CG2 3.85Å; A93-V96 VanDerWaalsContact O-CB 3.26Å; A93-V96 WeakPolarHBondContact O-CB 3.43Å; A93-V96 WeakPolarHBondContact O-CG2 3.13Å; A93-V96 PolarHBondContact O-N 2.92Å; A93-F117 HydrophobicContact CB-CE1 4.08Å; A93-F117 HydrophobicContact CB-CZ 4Å; A93-F117 WeakPolarHBondContact O-CE1 3.35Å | ||
| 94 | S | 88 | Confident | 91.7 | Very high | 57 Ų | 57 | 44.8 Ų | 44.8 | 40% | 0.399 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -15.1 | -174.9 | 56.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 95 | T | 91.9 | Very high | 91.8 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 23% | 0.233 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 4.6 | 178.2 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | R73 I74 A93 | R73-T95 HydrophobicContact CG-CG2 4.17Å; R73-T95 WeakPolarHBondContact CG-OG1 3.4Å; I74-T95 CarbonylContact O-C 3.56Å; I74-T95 VanDerWaalsContact O-C 3.31Å; I74-T95 PolarHBondContact O-OG1 3.21Å; I74-T95 VanDerWaalsContact O-OG1 3.11Å; A93-T95 PolarHBondContact O-N 3.38Å |
| 96 | V | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -68.7 | 133.2 | -179.4 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | I74 L77 A93 V98 I99 F117 D119 L120 | I74-V96 HydrophobicContact CB-CG2 3.98Å; I74-V96 HydrophobicContact CG2-CG2 3.6Å; I74-V96 WeakPolarHBondContact O-CA 3.35Å; I74-V96 WeakPolarHBondContact O-CG2 3.32Å; I74-V96 PolarHBondContact O-N 3.36Å; L77-V96 HydrophobicContact CB-CG1 4.16Å; L77-V96 HydrophobicContact CB-CG2 4.31Å; A93-V96 HydrophobicContact CB-CG2 3.85Å; A93-V96 VanDerWaalsContact O-CB 3.26Å; A93-V96 WeakPolarHBondContact O-CB 3.43Å; A93-V96 WeakPolarHBondContact O-CG2 3.13Å; A93-V96 PolarHBondContact O-N 2.92Å; V96-V98 WeakPolarHBondContact CG1-O 3.47Å; V96-I99 HydrophobicContact CB-CG1 4.34Å; V96-I99 HydrophobicContact CG1-CD1 4.18Å; V96-I99 HydrophobicContact CG1-CG1 3.45Å; V96-I99 VanDerWaalsContact CG1-CG1 3.45Å; V96-F117 HydrophobicContact CB-CE1 4.48Å; V96-D119 CarbonylContact O-C 3.57Å; V96-L120 VanDerWaalsContact O-CA 3.26Å; V96-L120 WeakPolarHBondContact O-CA 3.35Å; V96-L120 PolarHBondContact O-N 3.46Å | ||
| 97 | V | 96.9 | Very high | 92 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 21% | 0.212 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -94.5 | -34.1 | 177.7 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | F49 I75 D119 N121 F122 | F49-V97 HydrophobicContact CE1-CB 4.27Å; F49-V97 HydrophobicContact CE2-CB 4.38Å; F49-V97 HydrophobicContact CE2-CG1 4.03Å; F49-V97 HydrophobicContact CZ-CB 3.75Å; F49-V97 HydrophobicContact CZ-CG1 3.89Å; F49-V97 HydrophobicContact CZ-CG2 4.19Å; I75-V97 PolarHBondContact O-N 2.99Å; V97-D119 WeakPolarHBondContact CA-O 3.48Å; V97-D119 HydrophobicContact CG2-CB 4.28Å; V97-N121 HydrophobicContact CG1-CB 3.97Å; V97-N121 PolarHBondContact O-N 3.1Å; V97-F122 PolarHBondContact O-N 3.45Å |
| 98 | V | 97.6 | Very high | 92 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 128.6 | -179.7 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | V46 F49 I75 G76 L77 V96 F122 | V46-V98 HydrophobicContact CG2-CG1 4.21Å; V46-V98 HydrophobicContact CG2-CG2 3.99Å; F49-V98 HydrophobicContact CB-CG1 4.03Å; F49-V98 HydrophobicContact CD1-CB 4.49Å; F49-V98 HydrophobicContact CD1-CG1 3.36Å; F49-V98 HydrophobicContact CE1-CG1 3.92Å; F49-V98 HydrophobicContact CG-CG1 3.73Å; I75-V98 PolarHBondContact O-N 2.98Å; G76-V98 CarbonylContact C-O 3.43Å; G76-V98 WeakPolarHBondContact CA-O 3.05Å; L77-V98 PolarHBondContact N-O 3.08Å; V96-V98 WeakPolarHBondContact CG1-O 3.47Å; V98-F122 CarbonylContact C-O 3.19Å; V98-F122 VanDerWaalsContact CA-O 3.28Å; V98-F122 WeakPolarHBondContact CA-O 3.47Å; V98-F122 HydrophobicContact CB-CB 4.26Å; V98-F122 HydrophobicContact CG2-CB 4.02Å; V98-F122 HydrophobicContact CG2-CD1 3.92Å; V98-F122 HydrophobicContact CG2-CG 4.39Å |
| 99 | I | 97.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.1 | 175 | -60.3 | 173.7 | 0 | 0 | 0 | 109.8 | L77 L90 V96 L101 F114 F117 L120 F122 L123 I124 | L77-I99 HydrophobicContact CB-CG1 4.33Å; L77-I99 CarbonylContact O-C 3.57Å; L77-I99 WeakPolarHBondContact O-CA 3.43Å; L90-I99 HydrophobicContact CD1-CD1 4.35Å; V96-I99 HydrophobicContact CB-CG1 4.34Å; V96-I99 HydrophobicContact CG1-CD1 4.18Å; V96-I99 HydrophobicContact CG1-CG1 3.45Å; V96-I99 VanDerWaalsContact CG1-CG1 3.45Å; I99-L101 HydrophobicContact CG2-CD1 4.22Å; I99-L101 HydrophobicContact CG2-CG 3.92Å; I99-F114 HydrophobicContact CD1-CD1 4.21Å; I99-F114 HydrophobicContact CD1-CE1 3.88Å; I99-F117 HydrophobicContact CD1-CD1 4Å; I99-F117 HydrophobicContact CD1-CE1 3.75Å; I99-L120 HydrophobicContact CB-CD1 4.29Å; I99-L120 HydrophobicContact CD1-CD1 3.73Å; I99-L120 HydrophobicContact CD1-CD2 4.29Å; I99-L120 HydrophobicContact CG1-CD1 3.74Å; I99-F122 PolarHBondContact N-O 2.69Å; I99-L123 HydrophobicContact CB-CD1 3.72Å; I99-L123 HydrophobicContact CG2-CD1 3.87Å; I99-I124 PolarHBondContact O-N 3.49Å |
| 100 | D | 97.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 114.2 | 170.4 | -159.7 | -26.2 | 0 | 0 | 0 | 111.4 | V46 L77 L79 S80 S102 I124 | V46-D100 HydrophobicContact CG2-CB 3.87Å; L77-D100 PolarHBondContact O-N 2.82Å; L79-D100 CarbonylContact C-O 3.6Å; L79-D100 VanDerWaalsContact CA-O 3.29Å; L79-D100 WeakPolarHBondContact CA-O 3.49Å; L79-D100 PolarHBondContact N-O 3.36Å; S80-D100 PolarHBondContact N-O 3.24Å; S80-D100 VanDerWaalsContact N-O 3.16Å; D100-S102 WeakPolarHBondContact OD1-CB 3.07Å; D100-S102 PolarHBondContact OD1-N 2.9Å; D100-S102 PolarHBondContact OD1-OG 2.68Å; D100-I124 HydrophobicContact CB-CB 4.44Å; D100-I124 HydrophobicContact CB-CD1 3.91Å; D100-I124 WeakPolarHBondContact OD2-CD1 3.39Å |
| 101 | L | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -113.7 | 10.4 | 174.4 | -70.9 | 165.6 | 0 | 0 | 0 | 111.9 | L79 L84 V87 I99 N104 I106 I109 F114 L123 I124 L125 | L79-L101 HydrophobicContact CB-CD2 3.88Å; L79-L101 HydrophobicContact CD1-CD2 4.17Å; L84-L101 HydrophobicContact CD1-CD2 4.18Å; V87-L101 HydrophobicContact CG1-CD2 4.47Å; V87-L101 HydrophobicContact CG2-CD1 4.08Å; V87-L101 HydrophobicContact CG2-CD2 3.93Å; I99-L101 HydrophobicContact CG2-CD1 4.22Å; I99-L101 HydrophobicContact CG2-CG 3.92Å; L101-N104 PolarHBondContact O-ND2 2.86Å; L101-I106 HydrophobicContact CB-CD1 4.2Å; L101-I106 HydrophobicContact CD2-CD1 4.43Å; L101-I109 HydrophobicContact CD1-CD1 4.04Å; L101-F114 HydrophobicContact CD1-CZ 4.15Å; L101-L123 HydrophobicContact CD1-CD1 4.24Å; L101-I124 PolarHBondContact N-O 2.98Å; L101-L125 HydrophobicContact CB-CD2 4.23Å; L101-L125 HydrophobicContact CD1-CD2 3.89Å | ||
| 102 | S | 96 | Very high | 92.6 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 164.2 | -178.9 | 64 | 0 | 0 | 0 | 0 | 112.8 | S80 S81 D100 N104 N147 | S80-S102 CarbonylContact C-O 3.49Å; S80-S102 WeakPolarHBondContact CA-O 3.49Å; S80-S102 WeakPolarHBondContact CB-O 3.11Å; S81-S102 PolarHBondContact N-O 2.87Å; D100-S102 WeakPolarHBondContact OD1-CB 3.07Å; D100-S102 PolarHBondContact OD1-N 2.9Å; D100-S102 PolarHBondContact OD1-OG 2.68Å; S102-N104 PolarHBondContact O-N 3.04Å; S102-N104 VanDerWaalsContact O-N 3.14Å; S102-N104 PolarHBondContact O-ND2 3.16Å; S102-N104 VanDerWaalsContact O-ND2 3.1Å; S102-N147 VanDerWaalsContact CB-OD1 3.23Å; S102-N147 WeakPolarHBondContact CB-OD1 3.46Å |
| 103 | L | 94.8 | Very high | 93 | Very high | 116 Ų | 116 | 40.5 Ų | 40.5 | 61% | 0.607 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 27 | 176.7 | -52.3 | 173.4 | 0 | 0 | 0 | 114 | S81 | S81-L103 WeakPolarHBondContact CA-O 3.19Š|
| 104 | N | 95.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.059 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -113.5 | 147.1 | 173.8 | -72.9 | -68.9 | 0 | 0 | 0 | 111.1 | L79 C82 S83 L84 L101 S102 I106 | L79-N104 PolarHBondContact O-ND2 2.96Å; C82-N104 VanDerWaalsContact C-OD1 3.32Å; C82-N104 WeakPolarHBondContact CA-OD1 3.27Å; C82-N104 PolarHBondContact N-OD1 2.94Å; S83-N104 PolarHBondContact N-OD1 2.03Å; L84-N104 HydrophobicContact CB-CB 4.17Å; L84-N104 PolarHBondContact N-OD1 3.2Å; L101-N104 PolarHBondContact O-ND2 2.86Å; S102-N104 PolarHBondContact O-N 3.04Å; S102-N104 VanDerWaalsContact O-N 3.14Å; S102-N104 PolarHBondContact O-ND2 3.16Å; S102-N104 VanDerWaalsContact O-ND2 3.1Å; N104-I106 HydrophobicContact CB-CD1 3.77Å; N104-I106 HydrophobicContact CB-CG1 3.78Å; N104-I106 PolarHBondContact O-N 2.74Å |
| 105 | P | 95.9 | Very high | 93.4 | Very high | 74 Ų | 74 | 41.8 Ų | 41.8 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | trans | -77.2 | 44.1 | 175.1 | 35.2 | -38.4 | 0 | 0 | 0 | 112.9 | L84 T85 | L84-P105 CarbonylContact O-C 3.6Å; L84-P105 WeakPolarHBondContact O-CD 3.07Å; L84-P105 WeakPolarHBondContact O-CG 3.41Å; T85-P105 HydrophobicContact CG2-CG 4.01Å | ||
| 106 | I | 95.8 | Very high | 93.3 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | trans | -75.2 | 135.7 | 177.5 | -60.1 | 164.6 | 0 | 0 | 0 | 108.2 | L84 V87 L101 N104 N108 I109 I129 | L84-I106 HydrophobicContact CB-CG1 4.39Å; L84-I106 VanDerWaalsContact O-CG1 3.26Å; L84-I106 WeakPolarHBondContact O-CG1 2.97Å; L84-I106 PolarHBondContact O-N 3.07Å; V87-I106 HydrophobicContact CG2-CD1 3.64Å; V87-I106 HydrophobicContact CG2-CG1 4.36Å; L101-I106 HydrophobicContact CB-CD1 4.2Å; L101-I106 HydrophobicContact CD2-CD1 4.43Å; N104-I106 HydrophobicContact CB-CD1 3.77Å; N104-I106 HydrophobicContact CB-CG1 3.78Å; N104-I106 PolarHBondContact O-N 2.74Å; I106-N108 WeakPolarHBondContact CG2-O 3.28Å; I106-I109 HydrophobicContact CD1-CD1 4.45Å; I106-I109 HydrophobicContact CG2-CD1 4.11Å; I106-I109 HydrophobicContact CG2-CG1 3.6Å; I106-I129 HydrophobicContact CG2-CD1 4.23Å; I106-I129 HydrophobicContact CG2-CG1 4.39Å; I106-I129 WeakPolarHBondContact O-CD1 3.46Å | ||
| 107 | T | 92.1 | Very high | 93.3 | Very high | 124 Ų | 124 | 41 Ų | 41 | 76% | 0.761 | 23% | 0.23 | S | C | * | . | trans | -107.7 | -23.2 | 178.2 | 56 | 0 | 0 | 0 | 0 | 113.4 | I129 | T107-I129 WeakPolarHBondContact O-CD1 3.21Š| ||
| 108 | N | 91.3 | Very high | 93.1 | Very high | 119 Ų | 119 | 42.9 Ų | 42.9 | 64% | 0.636 | 24% | 0.239 | S | C | * | . | trans | -158.9 | 153.5 | 176 | -166.6 | 12.4 | 0 | 0 | 0 | 110.1 | I106 | I106-N108 WeakPolarHBondContact CG2-O 3.28Š| ||
| 109 | I | 91 | Very high | 93 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 8% | 0.077 | 26% | 0.259 | C | S | . | . | trans | -131.1 | 131.1 | 172.7 | -56.9 | 178.4 | 0 | 0 | 0 | 108.4 | V87 L101 I106 V113 F114 L125 I129 | V87-I109 HydrophobicContact CG2-CD1 4.25Å; V87-I109 HydrophobicContact CG2-CG1 4.38Å; L101-I109 HydrophobicContact CD1-CD1 4.04Å; I106-I109 HydrophobicContact CD1-CD1 4.45Å; I106-I109 HydrophobicContact CG2-CD1 4.11Å; I106-I109 HydrophobicContact CG2-CG1 3.6Å; I109-V113 HydrophobicContact CG2-CB 4.47Å; I109-V113 HydrophobicContact CG2-CG2 4.32Å; I109-F114 HydrophobicContact CG2-CE2 3.66Å; I109-F114 HydrophobicContact CG2-CZ 4.3Å; I109-L125 HydrophobicContact CD1-CD2 3.59Å; I109-I129 HydrophobicContact CB-CG2 4.45Å; I109-I129 HydrophobicContact CD1-CG2 3.78Å; I109-I129 HydrophobicContact CG1-CG2 3.92Å | ||
| 110 | S | 89.3 | Confident | 92.9 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 36% | 0.357 | 26% | 0.259 | S | S | . | . | trans | -77.9 | 144.1 | 177.4 | 127.2 | 0 | 0 | 0 | 0 | 110 | E112 V113 | S110-E112 VanDerWaalsContact CB-OE2 3.23Å; S110-E112 WeakPolarHBondContact CB-OE2 3.31Å; S110-E112 PolarHBondContact O-N 3.04Å; S110-E112 WeakPolarHBondContact OG-CB 2.95Å; S110-E112 PolarHBondContact OG-N 3.3Å; S110-E112 PolarHBondContact OG-OE2 3.2Å; S110-V113 PolarHBondContact O-N 2.03Å | ||
| 111 | N | 82 | Confident | 92.8 | Very high | 67 Ų | 67 | 49.4 Ų | 49.4 | 36% | 0.358 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -67.1 | -22.5 | 179 | -68.9 | -30.9 | 0 | 0 | 0 | 111.7 | V113 P132 G133 | N111-V113 VanDerWaalsContact C-N 3.27Å; N111-V113 PolarHBondContact O-N 3.4Å; N111-P132 WeakPolarHBondContact OD1-CA 3.43Å; N111-G133 PolarHBondContact OD1-N 3.39Å; N111-G133 VanDerWaalsContact OD1-N 3.08Å |
| 112 | E | 88.1 | Confident | 92.9 | Very high | 107 Ų | 107 | 51.1 Ų | 51.1 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -66.4 | -28.6 | -178.8 | -61.6 | 68.8 | -153.8 | 0 | 0 | 112.4 | S110 F114 Q115 | S110-E112 VanDerWaalsContact CB-OE2 3.23Å; S110-E112 WeakPolarHBondContact CB-OE2 3.31Å; S110-E112 PolarHBondContact O-N 3.04Å; S110-E112 WeakPolarHBondContact OG-CB 2.95Å; S110-E112 PolarHBondContact OG-N 3.3Å; S110-E112 PolarHBondContact OG-OE2 3.2Å; E112-F114 PolarHBondContact O-N 2.69Å; E112-Q115 VanDerWaalsContact O-CB 3.28Å; E112-Q115 WeakPolarHBondContact O-CB 3.28Å; E112-Q115 WeakPolarHBondContact O-CG 3.02Å; E112-Q115 PolarHBondContact O-N 2.63Å |
| 113 | V | 91.6 | Very high | 92.9 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -56.2 | -35.9 | 179.9 | 173.9 | 0 | 0 | 0 | 0 | 112.5 | V87 I109 S110 N111 | V87-V113 HydrophobicContact CB-CG1 4.48Å; V87-V113 HydrophobicContact CG1-CG1 3.78Å; V87-V113 VanDerWaalsContact O-CG2 3.26Å; V87-V113 WeakPolarHBondContact O-CG2 3.36Å; I109-V113 HydrophobicContact CG2-CB 4.47Å; I109-V113 HydrophobicContact CG2-CG2 4.32Å; S110-V113 PolarHBondContact O-N 2.03Å; N111-V113 VanDerWaalsContact C-N 3.27Å; N111-V113 PolarHBondContact O-N 3.4Å |
| 114 | F | 92.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -99.9 | 16.3 | -176.8 | -54.9 | -74.6 | 0 | 0 | 0 | 112.8 | I99 L101 I109 E112 G116 F117 L120 L123 P132 P178 | I99-F114 HydrophobicContact CD1-CD1 4.21Å; I99-F114 HydrophobicContact CD1-CE1 3.88Å; L101-F114 HydrophobicContact CD1-CZ 4.15Å; I109-F114 HydrophobicContact CG2-CE2 3.66Å; I109-F114 HydrophobicContact CG2-CZ 4.3Å; E112-F114 PolarHBondContact O-N 2.69Å; F114-G116 PolarHBondContact O-N 3.17Å; F114-F117 HydrophobicContact CB-CB 4.41Å; F114-F117 HydrophobicContact CB-CD2 4.34Å; F114-F117 HydrophobicContact CB-CG 4.4Å; F114-F117 HydrophobicContact CD1-CD1 4.48Å; F114-F117 HydrophobicContact CD1-CG 4.49Å; F114-F117 WeakPolarHBondContact O-CB 3.41Å; F114-F117 WeakPolarHBondContact O-CD2 3.1Å; F114-F117 PolarHBondContact O-N 3.01Å; F114-F117 VanDerWaalsContact O-N 3.17Å; F114-L120 HydrophobicContact CD1-CD2 3.91Å; F114-L120 HydrophobicContact CE1-CD2 4.44Å; F114-L120 HydrophobicContact CG-CD2 4.4Å; F114-L123 HydrophobicContact CE1-CD1 4.12Å; F114-L123 HydrophobicContact CE1-CD2 4.45Å; F114-L123 HydrophobicContact CE2-CD2 4.16Å; F114-L123 HydrophobicContact CZ-CD1 4.03Å; F114-L123 HydrophobicContact CZ-CD2 3.97Å; F114-P132 HydrophobicContact CD2-CB 3.96Å; F114-P132 HydrophobicContact CD2-CG 3.46Å; F114-P132 VanDerWaalsContact CD2-CG 3.46Å; F114-P132 HydrophobicContact CE2-CB 4.35Å; F114-P132 HydrophobicContact CE2-CG 3.39Å; F114-P132 HydrophobicContact CZ-CG 4.45Å; F114-P178 HydrophobicContact CB-CG 3.99Å |
| 115 | Q | 91.2 | Very high | 93.1 | Very high | 84 Ų | 84 | 44.9 Ų | 44.9 | 39% | 0.393 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 131.7 | 173.2 | -80.5 | -179.3 | 12.4 | 0 | 0 | 111 | E112 F117 Y176 | E112-Q115 VanDerWaalsContact O-CB 3.28Å; E112-Q115 WeakPolarHBondContact O-CB 3.28Å; E112-Q115 WeakPolarHBondContact O-CG 3.02Å; E112-Q115 PolarHBondContact O-N 2.63Å; Q115-F117 VanDerWaalsContact C-N 3.28Å; Q115-F117 PolarHBondContact O-N 3.39Å; Q115-Y176 WeakPolarHBondContact CA-O 3.22Å; Q115-Y176 HydrophobicContact CB-CD1 3.99Å; Q115-Y176 HydrophobicContact CB-CE1 3.61Å; Q115-Y176 HydrophobicContact CG-CD1 4.04Å; Q115-Y176 HydrophobicContact CG-CE1 3.99Å |
| 116 | G | 91.4 | Very high | 93.2 | Very high | 15 Ų | 15 | 42.2 Ų | 42.2 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 1.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F114 L118 Y176 | F114-G116 PolarHBondContact O-N 3.17Å; G116-L118 VanDerWaalsContact C-N 3.27Å; G116-L118 PolarHBondContact O-N 2.93Å; G116-Y176 PolarHBondContact N-O 3.45Å |
| 117 | F | 94.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | trans | -79.7 | 75.7 | 172.8 | -75.4 | -112.7 | 0 | 0 | 0 | 110.1 | L90 A93 V96 I99 F114 Q115 L120 Q153 G177 | L90-F117 HydrophobicContact CB-CZ 3.87Å; L90-F117 HydrophobicContact CD1-CZ 4.22Å; A93-F117 HydrophobicContact CB-CE1 4.08Å; A93-F117 HydrophobicContact CB-CZ 4Å; A93-F117 WeakPolarHBondContact O-CE1 3.35Å; V96-F117 HydrophobicContact CB-CE1 4.48Å; I99-F117 HydrophobicContact CD1-CD1 4Å; I99-F117 HydrophobicContact CD1-CE1 3.75Å; F114-F117 HydrophobicContact CB-CB 4.41Å; F114-F117 HydrophobicContact CB-CD2 4.34Å; F114-F117 HydrophobicContact CB-CG 4.4Å; F114-F117 HydrophobicContact CD1-CD1 4.48Å; F114-F117 HydrophobicContact CD1-CG 4.49Å; F114-F117 WeakPolarHBondContact O-CB 3.41Å; F114-F117 WeakPolarHBondContact O-CD2 3.1Å; F114-F117 PolarHBondContact O-N 3.01Å; F114-F117 VanDerWaalsContact O-N 3.17Å; Q115-F117 VanDerWaalsContact C-N 3.28Å; Q115-F117 PolarHBondContact O-N 3.39Å; F117-L120 HydrophobicContact CB-CB 3.91Å; F117-L120 HydrophobicContact CB-CD2 4.35Å; F117-L120 HydrophobicContact CD1-CB 4.46Å; F117-L120 HydrophobicContact CD1-CD2 4.48Å; F117-Q153 PolarHBondContact O-NE2 3.19Å; F117-Q153 PolarHBondContact O-OE1 3.25Å; F117-G177 WeakPolarHBondContact O-CA 3.01Å | ||
| 118 | L | 92.9 | Very high | 93.1 | Very high | 73 Ų | 73 | 48.1 Ų | 48.1 | 38% | 0.382 | 25% | 0.254 | S | S | . | . | trans | -72.6 | -32 | -173.3 | -57.8 | -176.6 | 0 | 0 | 0 | 112.8 | G116 Q153 P175 | G116-L118 VanDerWaalsContact C-N 3.27Å; G116-L118 PolarHBondContact O-N 2.93Å; L118-Q153 PolarHBondContact O-NE2 3.44Å; L118-P175 WeakPolarHBondContact CD2-O 3.43Å | ||
| 119 | D | 94.9 | Very high | 93.3 | Very high | 85 Ų | 85 | 42.9 Ų | 42.9 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -96.8 | -2.7 | -174.2 | -59.5 | -42.6 | 0 | 0 | 0 | 113.3 | V96 V97 N121 | V96-D119 CarbonylContact O-C 3.57Å; V97-D119 WeakPolarHBondContact CA-O 3.48Å; V97-D119 HydrophobicContact CG2-CB 4.28Å; D119-N121 PolarHBondContact O-N 2.95Å; D119-N121 VanDerWaalsContact O-N 3.13Å |
| 120 | L | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -64 | 116.4 | -178.1 | -179.2 | 66.7 | 0 | 0 | 0 | 109.7 | V96 I99 F114 F117 W138 Q153 P178 | V96-L120 VanDerWaalsContact O-CA 3.26Å; V96-L120 WeakPolarHBondContact O-CA 3.35Å; V96-L120 PolarHBondContact O-N 3.46Å; I99-L120 HydrophobicContact CB-CD1 4.29Å; I99-L120 HydrophobicContact CD1-CD1 3.73Å; I99-L120 HydrophobicContact CD1-CD2 4.29Å; I99-L120 HydrophobicContact CG1-CD1 3.74Å; F114-L120 HydrophobicContact CD1-CD2 3.91Å; F114-L120 HydrophobicContact CE1-CD2 4.44Å; F114-L120 HydrophobicContact CG-CD2 4.4Å; F117-L120 HydrophobicContact CB-CB 3.91Å; F117-L120 HydrophobicContact CB-CD2 4.35Å; F117-L120 HydrophobicContact CD1-CB 4.46Å; F117-L120 HydrophobicContact CD1-CD2 4.48Å; L120-W138 HydrophobicContact CD2-CH2 4.1Å; L120-W138 HydrophobicContact CG-CH2 4.07Å; L120-Q153 WeakPolarHBondContact O-CB 3.43Å; L120-Q153 PolarHBondContact O-OE1 3.45Å; L120-Q153 VanDerWaalsContact O-OE1 3.06Å; L120-P178 HydrophobicContact CD2-CG 3.94Å | ||
| 121 | N | 95.7 | Very high | 93.7 | Very high | 62 Ų | 62 | 43.4 Ų | 43.4 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | trans | -122.1 | -16.4 | -174.2 | -157.6 | 64.1 | 0 | 0 | 0 | 112.9 | V97 D119 K151 D152 Q153 | V97-N121 HydrophobicContact CG1-CB 3.97Å; V97-N121 PolarHBondContact O-N 3.1Å; D119-N121 PolarHBondContact O-N 2.95Å; D119-N121 VanDerWaalsContact O-N 3.13Å; N121-K151 CarbonylContact O-C 3.57Å; N121-K151 WeakPolarHBondContact O-CA 3.03Å; N121-D152 PolarHBondContact ND2-OD1 2.89Å; N121-D152 PolarHBondContact O-N 3.18Å; N121-D152 VanDerWaalsContact OD1-CA 3.26Å; N121-D152 WeakPolarHBondContact OD1-CA 3.06Å; N121-Q153 PolarHBondContact OD1-N 3.14Å | ||
| 122 | F | 97.5 | Very high | 94.3 | Very high | 36 Ų | 36 | 40.4 Ų | 40.4 | 16% | 0.158 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 116.6 | -179.4 | -156.6 | -91.2 | 0 | 0 | 0 | 110.7 | Y45 V97 V98 I99 I124 L149 C150 K151 | Y45-F122 AromaticContact CD1-CE1 3.67Å; Y45-F122 HydrophobicContact CD1-CE1 3.67Å; Y45-F122 AromaticContact CD1-CZ 3.67Å; Y45-F122 HydrophobicContact CD1-CZ 3.67Å; Y45-F122 AromaticContact CD2-CE1 3.97Å; Y45-F122 HydrophobicContact CD2-CE1 3.97Å; Y45-F122 HydrophobicContact CD2-CZ 4.42Å; Y45-F122 HydrophobicContact CE1-CE1 4.03Å; Y45-F122 HydrophobicContact CE1-CE2 4.49Å; Y45-F122 AromaticContact CE1-CZ 3.6Å; Y45-F122 HydrophobicContact CE1-CZ 3.6Å; Y45-F122 HydrophobicContact CE2-CE1 4.29Å; Y45-F122 HydrophobicContact CE2-CZ 4.35Å; Y45-F122 HydrophobicContact CG-CD1 4.5Å; Y45-F122 AromaticContact CG-CE1 3.64Å; Y45-F122 HydrophobicContact CG-CE1 3.64Å; Y45-F122 HydrophobicContact CG-CZ 4.09Å; Y45-F122 AromaticContact CZ-CZ 3.95Å; V97-F122 PolarHBondContact O-N 3.45Å; V98-F122 CarbonylContact C-O 3.19Å; V98-F122 VanDerWaalsContact CA-O 3.28Å; V98-F122 WeakPolarHBondContact CA-O 3.47Å; V98-F122 HydrophobicContact CB-CB 4.26Å; V98-F122 HydrophobicContact CG2-CB 4.02Å; V98-F122 HydrophobicContact CG2-CD1 3.92Å; V98-F122 HydrophobicContact CG2-CG 4.39Å; I99-F122 PolarHBondContact N-O 2.69Å; F122-I124 HydrophobicContact CD1-CD1 4.04Å; F122-I124 HydrophobicContact CD1-CG1 3.78Å; F122-I124 HydrophobicContact CE1-CD1 3.77Å; F122-I124 HydrophobicContact CE1-CG1 3.52Å; F122-L149 HydrophobicContact CE1-CD2 4.42Å; F122-L149 HydrophobicContact CZ-CD1 4.45Å; F122-C150 WeakPolarHBondContact CA-O 3.31Å; F122-K151 HydrophobicContact CD2-CB 4.27Å; F122-K151 HydrophobicContact CD2-CD 4.14Å; F122-K151 HydrophobicContact CD2-CG 3.71Å; F122-K151 HydrophobicContact CE2-CB 4.44Å; F122-K151 HydrophobicContact CE2-CD 3.51Å; F122-K151 VanDerWaalsContact CE2-CE 3.47Å; F122-K151 HydrophobicContact CE2-CG 3.48Å; F122-K151 VanDerWaalsContact CE2-CG 3.48Å; F122-K151 HydrophobicContact CZ-CD 4.38Å; F122-K151 HydrophobicContact CZ-CG 4.36Å |
| 123 | L | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.7 | 178.8 | 178.8 | 65.4 | 0 | 0 | 0 | 109.5 | I99 L101 F114 L125 P132 W138 C150 | I99-L123 HydrophobicContact CB-CD1 3.72Å; I99-L123 HydrophobicContact CG2-CD1 3.87Å; L101-L123 HydrophobicContact CD1-CD1 4.24Å; F114-L123 HydrophobicContact CE1-CD1 4.12Å; F114-L123 HydrophobicContact CE1-CD2 4.45Å; F114-L123 HydrophobicContact CE2-CD2 4.16Å; F114-L123 HydrophobicContact CZ-CD1 4.03Å; F114-L123 HydrophobicContact CZ-CD2 3.97Å; L123-L125 HydrophobicContact CD1-CD2 4Å; L123-L125 HydrophobicContact CD2-CD1 3.96Å; L123-L125 HydrophobicContact CD2-CD2 4Å; L123-L125 HydrophobicContact CD2-CG 4.12Å; L123-L125 HydrophobicContact CG-CD1 4.26Å; L123-L125 HydrophobicContact CG-CD2 3.84Å; L123-L125 HydrophobicContact CG-CG 3.9Å; L123-P132 HydrophobicContact CD2-CG 3.82Å; L123-W138 HydrophobicContact CB-CH2 3.94Å; L123-W138 HydrophobicContact CB-CZ2 4.23Å; L123-W138 HydrophobicContact CD2-CZ2 4.19Å; L123-C150 HydrophobicContact CB-CB 4.11Å; L123-C150 PolarHBondContact N-O 3.21Å; L123-C150 PolarHBondContact O-N 3.27Å |
| 124 | I | 97.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.1 | 179.8 | -52.1 | 157.6 | 0 | 0 | 0 | 107.4 | Y45 I99 D100 L101 F122 N147 L149 | Y45-I124 HydrophobicContact CD2-CD1 3.6Å; Y45-I124 HydrophobicContact CD2-CG1 4.41Å; Y45-I124 HydrophobicContact CG-CD1 3.94Å; I99-I124 PolarHBondContact O-N 3.49Å; D100-I124 HydrophobicContact CB-CB 4.44Å; D100-I124 HydrophobicContact CB-CD1 3.91Å; D100-I124 WeakPolarHBondContact OD2-CD1 3.39Å; L101-I124 PolarHBondContact N-O 2.98Å; F122-I124 HydrophobicContact CD1-CD1 4.04Å; F122-I124 HydrophobicContact CD1-CG1 3.78Å; F122-I124 HydrophobicContact CE1-CD1 3.77Å; F122-I124 HydrophobicContact CE1-CG1 3.52Å; I124-N147 HydrophobicContact CG2-CB 4Å; I124-L149 HydrophobicContact CB-CD2 4.19Å; I124-L149 HydrophobicContact CG1-CD2 3.85Å; I124-L149 HydrophobicContact CG2-CD2 3.78Å |
| 125 | L | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 157.9 | -176.1 | -59.7 | 173.3 | 0 | 0 | 0 | 109.9 | L101 I109 L123 I129 N147 Q148 | L101-L125 HydrophobicContact CB-CD2 4.23Å; L101-L125 HydrophobicContact CD1-CD2 3.89Å; I109-L125 HydrophobicContact CD1-CD2 3.59Å; L123-L125 HydrophobicContact CD1-CD2 4Å; L123-L125 HydrophobicContact CD2-CD1 3.96Å; L123-L125 HydrophobicContact CD2-CD2 4Å; L123-L125 HydrophobicContact CD2-CG 4.12Å; L123-L125 HydrophobicContact CG-CD1 4.26Å; L123-L125 HydrophobicContact CG-CD2 3.84Å; L123-L125 HydrophobicContact CG-CG 3.9Å; L125-I129 HydrophobicContact CB-CB 4.2Å; L125-I129 HydrophobicContact CB-CG2 4.39Å; L125-I129 HydrophobicContact CD1-CG2 4.11Å; L125-N147 CarbonylContact O-C 3.58Å; L125-N147 VanDerWaalsContact O-CA 3.3Å; L125-N147 WeakPolarHBondContact O-CA 3.26Å; L125-N147 WeakPolarHBondContact O-CB 3.18Å; L125-Q148 HydrophobicContact CB-CB 4.33Å; L125-Q148 PolarHBondContact N-O 3.35Å; L125-Q148 PolarHBondContact O-N 3.16Å |
| 126 | P | 96.5 | Very high | 94 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 146.5 | 162.5 | -21.4 | 33.1 | 0 | 0 | 0 | 110.9 | D128 I129 | P126-D128 VanDerWaalsContact C-N 3.27Å; P126-D128 PolarHBondContact O-N 2.91Å; P126-D128 VanDerWaalsContact O-N 3.16Å; P126-I129 HydrophobicContact CB-CG1 4.07Å; P126-I129 HydrophobicContact CG-CG1 4.22Å; P126-I129 PolarHBondContact O-N 2.76Å |
| 127 | E | 94 | Very high | 94 | Very high | 101 Ų | 101 | 40.7 Ų | 40.7 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -38.5 | -173.6 | 178.8 | 169.7 | -174.6 | 0 | 0 | 114.8 | I129 V143 G146 Q148 | E127-I129 PolarHBondContact O-N 2.92Å; E127-V143 HydrophobicContact CG-CG1 3.84Å; E127-G146 WeakPolarHBondContact CB-O 3.26Å; E127-G146 PolarHBondContact N-O 3.2Å; E127-G146 WeakPolarHBondContact OE2-CA 3.28Å; E127-Q148 PolarHBondContact O-OE1 3.26Å |
| 128 | D | 92.8 | Very high | 94.1 | Very high | 159 Ų | 159 | 40.5 Ų | 40.5 | 85% | 0.85 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -0.1 | -177.1 | -63.5 | -46.9 | 0 | 0 | 0 | 113.7 | P126 | P126-D128 VanDerWaalsContact C-N 3.27Å; P126-D128 PolarHBondContact O-N 2.91Å; P126-D128 VanDerWaalsContact O-N 3.16Å |
| 129 | I | 95.1 | Very high | 94.2 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.046 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -103.2 | 114.8 | -176.9 | -56 | -59.7 | 0 | 0 | 0 | 110.7 | I106 T107 I109 L125 P126 E127 Q148 | I106-I129 HydrophobicContact CG2-CD1 4.23Å; I106-I129 HydrophobicContact CG2-CG1 4.39Å; I106-I129 WeakPolarHBondContact O-CD1 3.46Å; T107-I129 WeakPolarHBondContact O-CD1 3.21Å; I109-I129 HydrophobicContact CB-CG2 4.45Å; I109-I129 HydrophobicContact CD1-CG2 3.78Å; I109-I129 HydrophobicContact CG1-CG2 3.92Å; L125-I129 HydrophobicContact CB-CB 4.2Å; L125-I129 HydrophobicContact CB-CG2 4.39Å; L125-I129 HydrophobicContact CD1-CG2 4.11Å; P126-I129 HydrophobicContact CB-CG1 4.07Å; P126-I129 HydrophobicContact CG-CG1 4.22Å; P126-I129 PolarHBondContact O-N 2.76Å; E127-I129 PolarHBondContact O-N 2.92Å; I129-Q148 PolarHBondContact O-OE1 3.11Å |
| 130 | A | 94.3 | Very high | 94.3 | Very high | 73 Ų | 73 | 42.9 Ų | 42.9 | 60% | 0.603 | 25% | 0.247 | S | C | * | . | P | Polyproline II helix | trans | -63.7 | 142.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 131 | C | 95.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 134.2 | 170.6 | -64.5 | 0 | 0 | 0 | 0 | 111.3 | G133 G134 W138 I141 Q148 C150 | C131-G133 PolarHBondContact O-N 3.05Å; C131-G134 WeakPolarHBondContact O-CA 3.18Å; C131-G134 PolarHBondContact O-N 3.41Å; C131-W138 HydrophobicContact CB-CG 4.47Å; C131-I141 HydrophobicContact CB-CD1 3.85Å; C131-I141 HydrophobicContact CB-CG1 4.4Å; C131-Q148 PolarHBondContact SG-NE2 3.19Å; C131-C150 VanDerWaalsContact CA-SG 3.5Å; C131-C150 HydrophobicContact CB-CB 3.84Å; C131-C150 WeakPolarHBondContact CB-SG 3.1Å; C131-C150 WeakPolarHBondContact SG-CB 3.29Å; C131-C150 CovalentContact SG-SG 2.02Å; C131-C150 PolarHBondContact SG-SG 3.29Å |
| 132 | P | 93.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 129.3 | 176.2 | -24.5 | 32.2 | 0 | 0 | 0 | 111.2 | N111 F114 L123 G134 S137 W138 P178 | N111-P132 WeakPolarHBondContact OD1-CA 3.43Å; F114-P132 HydrophobicContact CD2-CB 3.96Å; F114-P132 HydrophobicContact CD2-CG 3.46Å; F114-P132 VanDerWaalsContact CD2-CG 3.46Å; F114-P132 HydrophobicContact CE2-CB 4.35Å; F114-P132 HydrophobicContact CE2-CG 3.39Å; F114-P132 HydrophobicContact CZ-CG 4.45Å; L123-P132 HydrophobicContact CD2-CG 3.82Å; P132-G134 PolarHBondContact O-N 3.32Å; P132-G134 VanDerWaalsContact O-N 3.16Å; P132-S137 WeakPolarHBondContact O-CB 3.47Å; P132-W138 PolarHBondContact O-NE1 3.28Å; P132-P178 HydrophobicContact CB-CB 4.11Å |
| 133 | G | 89.4 | Confident | 94.2 | Very high | 26 Ų | 26 | 48 Ų | 48 | 27% | 0.268 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 10.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | N111 C131 S137 | N111-G133 PolarHBondContact OD1-N 3.39Å; N111-G133 VanDerWaalsContact OD1-N 3.08Å; C131-G133 PolarHBondContact O-N 3.05Å; G133-S137 WeakPolarHBondContact CA-OG 3.4Å; G133-S137 PolarHBondContact O-N 3.16Å; G133-S137 PolarHBondContact O-OG 2.05Å |
| 134 | G | 91.3 | Very high | 94 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | 57.4 | -154.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | C131 P132 A136 S137 | C131-G134 WeakPolarHBondContact O-CA 3.18Å; C131-G134 PolarHBondContact O-N 3.41Å; P132-G134 PolarHBondContact O-N 3.32Å; P132-G134 VanDerWaalsContact O-N 3.16Å; G134-A136 PolarHBondContact O-N 3.46Å; G134-A136 VanDerWaalsContact O-N 3.11Å; G134-S137 PolarHBondContact O-N 3.43Å |
| 135 | N | 89.9 | Confident | 93.7 | Very high | 132 Ų | 132 | 60.9 Ų | 60.9 | 71% | 0.706 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.5 | -21.1 | -176.8 | -70 | 32.1 | 0 | 0 | 0 | 114.4 | S137 I141 K154 | N135-S137 VanDerWaalsContact C-N 3.26Å; N135-I141 WeakPolarHBondContact OD1-CD1 3.49Å; N135-K154 PolarHBondContact O-NZ 3.07Å |
| 136 | A | 87.7 | Confident | 93.4 | Very high | 38 Ų | 38 | 62.6 Ų | 62.6 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.6 | -32 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G134 K154 Q159 | G134-A136 PolarHBondContact O-N 3.46Å; G134-A136 VanDerWaalsContact O-N 3.11Å; A136-K154 VanDerWaalsContact O-CD 3.23Å; A136-K154 WeakPolarHBondContact O-CD 3.46Å; A136-Q159 PolarHBondContact O-NE2 2.59Å |
| 137 | S | 91.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.007 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -91.9 | -15.4 | -170.6 | -54.8 | 0 | 0 | 0 | 0 | 115.1 | P132 G133 G134 N135 Q153 K154 M156 G179 | P132-S137 WeakPolarHBondContact O-CB 3.47Å; G133-S137 WeakPolarHBondContact CA-OG 3.4Å; G133-S137 PolarHBondContact O-N 3.16Å; G133-S137 PolarHBondContact O-OG 2.05Å; G134-S137 PolarHBondContact O-N 3.43Å; N135-S137 VanDerWaalsContact C-N 3.26Å; S137-Q153 WeakPolarHBondContact O-CA 3.23Å; S137-K154 PolarHBondContact O-N 3.27Å; S137-M156 WeakPolarHBondContact OG-CE 3.25Å; S137-G179 WeakPolarHBondContact OG-CA 3.35Å; S137-G179 PolarHBondContact OG-N 2.47Å |
| 138 | W | 94.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.6 | -172 | -58.9 | 95.7 | 0 | 0 | 0 | 110.6 | L120 L123 C131 P132 Q140 I141 C150 Q153 K154 P178 | L120-W138 HydrophobicContact CD2-CH2 4.1Å; L120-W138 HydrophobicContact CG-CH2 4.07Å; L123-W138 HydrophobicContact CB-CH2 3.94Å; L123-W138 HydrophobicContact CB-CZ2 4.23Å; L123-W138 HydrophobicContact CD2-CZ2 4.19Å; C131-W138 HydrophobicContact CB-CG 4.47Å; P132-W138 PolarHBondContact O-NE1 3.28Å; W138-Q140 VanDerWaalsContact C-N 3.33Å; W138-I141 HydrophobicContact CB-CD1 4.26Å; W138-I141 HydrophobicContact CB-CG1 3.91Å; W138-I141 HydrophobicContact CG-CG1 4.48Å; W138-C150 HydrophobicContact CD2-CB 3.46Å; W138-C150 VanDerWaalsContact CD2-CB 3.46Å; W138-C150 HydrophobicContact CE3-CB 3.78Å; W138-C150 HydrophobicContact CG-CB 3.85Å; W138-C150 HydrophobicContact CH2-CB 4.12Å; W138-C150 HydrophobicContact CZ2-CB 3.87Å; W138-C150 HydrophobicContact CZ3-CB 4.09Å; W138-Q153 HydrophobicContact CE3-CB 4.26Å; W138-Q153 HydrophobicContact CZ3-CB 4.01Å; W138-K154 WeakPolarHBondContact O-CE 3.1Å; W138-K154 PolarHBondContact O-NZ 3.26Å; W138-P178 HydrophobicContact CH2-CG 4.26Å; W138-P178 HydrophobicContact CZ2-CB 3.86Å; W138-P178 HydrophobicContact CZ2-CG 3.73Å |
| 139 | Q | 95.4 | Very high | 93.6 | Very high | 129 Ų | 129 | 52.2 Ų | 52.2 | 60% | 0.603 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -38 | 173.9 | -169.8 | 59.3 | 19.4 | 0 | 0 | 111.4 | K151 D152 | Q139-K151 PolarHBondContact N-O 2.96Å; Q139-K151 VanDerWaalsContact N-O 3.14Å; Q139-D152 HydrophobicContact CB-CB 3.7Å; Q139-D152 PolarHBondContact N-O 3.12Å |
| 140 | Q | 96.6 | Very high | 93.7 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 129.9 | -174 | -179.8 | 170.7 | 23.3 | 0 | 0 | 110.1 | W138 E142 K151 | W138-Q140 VanDerWaalsContact C-N 3.33Å; Q140-E142 HydrophobicContact CG-CG 3.86Å; Q140-E142 PolarHBondContact NE2-OE1 3.41Å; Q140-K151 HydrophobicContact CB-CB 4.29Å; Q140-K151 PolarHBondContact N-O 3.46Å; Q140-K151 PolarHBondContact O-N 3.46Å |
| 141 | I | 96.6 | Very high | 93.9 | Very high | 53 Ų | 53 | 49.9 Ų | 49.9 | 27% | 0.272 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.6 | 172.8 | -61.1 | 176.3 | 0 | 0 | 0 | 107 | C131 N135 W138 Q148 L149 | C131-I141 HydrophobicContact CB-CD1 3.85Å; C131-I141 HydrophobicContact CB-CG1 4.4Å; N135-I141 WeakPolarHBondContact OD1-CD1 3.49Å; W138-I141 HydrophobicContact CB-CD1 4.26Å; W138-I141 HydrophobicContact CB-CG1 3.91Å; W138-I141 HydrophobicContact CG-CG1 4.48Å; I141-Q148 HydrophobicContact CG2-CG 4.18Å; I141-L149 VanDerWaalsContact CA-O 3.31Å; I141-L149 WeakPolarHBondContact CA-O 3.3Å |
| 142 | E | 96.1 | Very high | 93.9 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 31% | 0.308 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147 | -178.4 | -63.7 | -177.8 | 154.3 | 0 | 0 | 110.8 | Q140 Q148 L149 K151 | Q140-E142 HydrophobicContact CG-CG 3.86Å; Q140-E142 PolarHBondContact NE2-OE1 3.41Å; E142-Q148 CarbonylContact O-C 3.31Å; E142-L149 HydrophobicContact CB-CB 4.42Å; E142-L149 PolarHBondContact N-O 3.44Å; E142-L149 PolarHBondContact O-N 3.45Å; E142-K151 WeakPolarHBondContact OE2-CE 3.27Å; E142-K151 IonicContact OE2-NZ 2.65Å; E142-K151 PolarHBondContact OE2-NZ 2.04Å |
| 143 | V | 95.9 | Very high | 93.9 | Very high | 88 Ų | 88 | 54.6 Ų | 54.6 | 53% | 0.533 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.1 | 166.1 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | E127 N147 | E127-V143 HydrophobicContact CG-CG1 3.84Å; V143-N147 CarbonylContact C-O 3.53Å; V143-N147 WeakPolarHBondContact CA-O 3.42Å |
| 144 | K | 93.9 | Very high | 94 | Very high | 97 Ų | 97 | 56.5 Ų | 56.5 | 42% | 0.422 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 125.4 | -178.8 | -172.1 | 179.2 | 177.9 | -174.8 | 0 | 110 | G146 N147 L149 | K144-G146 VanDerWaalsContact C-N 3.27Å; K144-G146 PolarHBondContact O-N 2.92Å; K144-N147 PolarHBondContact N-O 2.95Å; K144-N147 PolarHBondContact O-N 3.24Å; K144-L149 HydrophobicContact CB-CD1 3.88Å; K144-L149 HydrophobicContact CB-CG 4.48Å; K144-L149 HydrophobicContact CD-CD1 4.21Å |
| 145 | Q | 89.6 | Confident | 93.9 | Very high | 174 Ų | 174 | 58 Ų | 58 | 81% | 0.813 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 38.5 | 175 | -64.3 | 172.9 | -37 | 0 | 0 | 113.9 | N147 | Q145-N147 VanDerWaalsContact C-N 3.33Š|
| 146 | G | 90.9 | Very high | 93.6 | Very high | 36 Ų | 36 | 52.2 Ų | 52.2 | 37% | 0.371 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 14.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E127 K144 | E127-G146 WeakPolarHBondContact CB-O 3.26Å; E127-G146 PolarHBondContact N-O 3.2Å; E127-G146 WeakPolarHBondContact OE2-CA 3.28Å; K144-G146 VanDerWaalsContact C-N 3.27Å; K144-G146 PolarHBondContact O-N 2.92Å |
| 147 | N | 95.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 16% | 0.16 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.2 | 175.5 | -65.2 | -37.5 | 0 | 0 | 0 | 110.9 | S102 I124 L125 V143 K144 Q145 L149 | S102-N147 VanDerWaalsContact CB-OD1 3.23Å; S102-N147 WeakPolarHBondContact CB-OD1 3.46Å; I124-N147 HydrophobicContact CG2-CB 4Å; L125-N147 CarbonylContact O-C 3.58Å; L125-N147 VanDerWaalsContact O-CA 3.3Å; L125-N147 WeakPolarHBondContact O-CA 3.26Å; L125-N147 WeakPolarHBondContact O-CB 3.18Å; V143-N147 CarbonylContact C-O 3.53Å; V143-N147 WeakPolarHBondContact CA-O 3.42Å; K144-N147 PolarHBondContact N-O 2.95Å; K144-N147 PolarHBondContact O-N 3.24Å; Q145-N147 VanDerWaalsContact C-N 3.33Å; N147-L149 HydrophobicContact CB-CD2 4.39Å |
| 148 | Q | 96.3 | Very high | 92.9 | Very high | 27 Ų | 27 | 57.9 Ų | 57.9 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 123.1 | 168.2 | 177 | 155.9 | -12.2 | 0 | 0 | 109.5 | L125 E127 I129 C131 I141 E142 | L125-Q148 HydrophobicContact CB-CB 4.33Å; L125-Q148 PolarHBondContact N-O 3.35Å; L125-Q148 PolarHBondContact O-N 3.16Å; E127-Q148 PolarHBondContact O-OE1 3.26Å; I129-Q148 PolarHBondContact O-OE1 3.11Å; C131-Q148 PolarHBondContact SG-NE2 3.19Å; I141-Q148 HydrophobicContact CG2-CG 4.18Å; E142-Q148 CarbonylContact O-C 3.31Å |
| 149 | L | 97.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 117.9 | -178.3 | -52.9 | -177.4 | 0 | 0 | 0 | 109.5 | Y45 F122 I124 I141 E142 K144 N147 | Y45-L149 HydrophobicContact CE2-CD2 4.48Å; F122-L149 HydrophobicContact CE1-CD2 4.42Å; F122-L149 HydrophobicContact CZ-CD1 4.45Å; I124-L149 HydrophobicContact CB-CD2 4.19Å; I124-L149 HydrophobicContact CG1-CD2 3.85Å; I124-L149 HydrophobicContact CG2-CD2 3.78Å; I141-L149 VanDerWaalsContact CA-O 3.31Å; I141-L149 WeakPolarHBondContact CA-O 3.3Å; E142-L149 HydrophobicContact CB-CB 4.42Å; E142-L149 PolarHBondContact N-O 3.44Å; E142-L149 PolarHBondContact O-N 3.45Å; K144-L149 HydrophobicContact CB-CD1 3.88Å; K144-L149 HydrophobicContact CB-CG 4.48Å; K144-L149 HydrophobicContact CD-CD1 4.21Å; N147-L149 HydrophobicContact CB-CD2 4.39Å |
| 150 | C | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.2 | 174.3 | -36.3 | 0 | 0 | 0 | 0 | 108.4 | F122 L123 C131 W138 | F122-C150 WeakPolarHBondContact CA-O 3.31Å; L123-C150 HydrophobicContact CB-CB 4.11Å; L123-C150 PolarHBondContact N-O 3.21Å; L123-C150 PolarHBondContact O-N 3.27Å; C131-C150 VanDerWaalsContact CA-SG 3.5Å; C131-C150 HydrophobicContact CB-CB 3.84Å; C131-C150 WeakPolarHBondContact CB-SG 3.1Å; C131-C150 WeakPolarHBondContact SG-CB 3.29Å; C131-C150 CovalentContact SG-SG 2.02Å; C131-C150 PolarHBondContact SG-SG 3.29Å; W138-C150 HydrophobicContact CD2-CB 3.46Å; W138-C150 VanDerWaalsContact CD2-CB 3.46Å; W138-C150 HydrophobicContact CE3-CB 3.78Å; W138-C150 HydrophobicContact CG-CB 3.85Å; W138-C150 HydrophobicContact CH2-CB 4.12Å; W138-C150 HydrophobicContact CZ2-CB 3.87Å; W138-C150 HydrophobicContact CZ3-CB 4.09Å |
| 151 | K | 97.3 | Very high | 87.6 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 15% | 0.148 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145 | -172.7 | -47.2 | -176.2 | -172.9 | 170.5 | 0 | 112 | N121 F122 Q139 Q140 E142 | N121-K151 CarbonylContact O-C 3.57Å; N121-K151 WeakPolarHBondContact O-CA 3.03Å; F122-K151 HydrophobicContact CD2-CB 4.27Å; F122-K151 HydrophobicContact CD2-CD 4.14Å; F122-K151 HydrophobicContact CD2-CG 3.71Å; F122-K151 HydrophobicContact CE2-CB 4.44Å; F122-K151 HydrophobicContact CE2-CD 3.51Å; F122-K151 VanDerWaalsContact CE2-CE 3.47Å; F122-K151 HydrophobicContact CE2-CG 3.48Å; F122-K151 VanDerWaalsContact CE2-CG 3.48Å; F122-K151 HydrophobicContact CZ-CD 4.38Å; F122-K151 HydrophobicContact CZ-CG 4.36Å; Q139-K151 PolarHBondContact N-O 2.96Å; Q139-K151 VanDerWaalsContact N-O 3.14Å; Q140-K151 HydrophobicContact CB-CB 4.29Å; Q140-K151 PolarHBondContact N-O 3.46Å; Q140-K151 PolarHBondContact O-N 3.46Å; E142-K151 WeakPolarHBondContact OE2-CE 3.27Å; E142-K151 IonicContact OE2-NZ 2.65Å; E142-K151 PolarHBondContact OE2-NZ 2.04Å |
| 152 | D | 95.5 | Very high | 85.2 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.2 | 87.1 | 176.9 | -54 | -47.3 | 0 | 0 | 0 | 112.2 | N121 Q139 K154 | N121-D152 PolarHBondContact ND2-OD1 2.89Å; N121-D152 PolarHBondContact O-N 3.18Å; N121-D152 VanDerWaalsContact OD1-CA 3.26Å; N121-D152 WeakPolarHBondContact OD1-CA 3.06Å; Q139-D152 HydrophobicContact CB-CB 3.7Å; Q139-D152 PolarHBondContact N-O 3.12Å; D152-K154 PolarHBondContact O-N 3.38Å |
| 153 | Q | 93.6 | Very high | 82.9 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 16% | 0.164 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 130.1 | 179.6 | 174.9 | 176.7 | -59.1 | 0 | 0 | 110.2 | F117 L118 L120 N121 S137 W138 P178 | F117-Q153 PolarHBondContact O-NE2 3.19Å; F117-Q153 PolarHBondContact O-OE1 3.25Å; L118-Q153 PolarHBondContact O-NE2 3.44Å; L120-Q153 WeakPolarHBondContact O-CB 3.43Å; L120-Q153 PolarHBondContact O-OE1 3.45Å; L120-Q153 VanDerWaalsContact O-OE1 3.06Å; N121-Q153 PolarHBondContact OD1-N 3.14Å; S137-Q153 WeakPolarHBondContact O-CA 3.23Å; W138-Q153 HydrophobicContact CE3-CB 4.26Å; W138-Q153 HydrophobicContact CZ3-CB 4.01Å; Q153-P178 VanDerWaalsContact OE1-CG 3.23Å |
| 154 | K | 91.6 | Very high | 80.7 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 141 | 176 | -73.3 | 169.9 | 171.8 | 153.1 | 0 | 110.6 | N135 A136 S137 W138 D152 M156 | N135-K154 PolarHBondContact O-NZ 3.07Å; A136-K154 VanDerWaalsContact O-CD 3.23Å; A136-K154 WeakPolarHBondContact O-CD 3.46Å; S137-K154 PolarHBondContact O-N 3.27Å; W138-K154 WeakPolarHBondContact O-CE 3.1Å; W138-K154 PolarHBondContact O-NZ 3.26Å; D152-K154 PolarHBondContact O-N 3.38Å; K154-M156 PolarHBondContact O-N 3.34Å |
| 155 | N | 88.4 | Confident | 79.1 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 31% | 0.305 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 116.3 | 166.6 | -172.9 | -21.3 | 0 | 0 | 0 | 109.8 | C157 N158 | N155-C157 VanDerWaalsContact C-N 3.25Å; N155-C157 PolarHBondContact O-N 3.38Å; N155-C157 WeakPolarHBondContact OD1-CB 3.12Å; N155-C157 PolarHBondContact OD1-N 3.24Å; N155-N158 HydrophobicContact CB-CB 4.42Å; N155-N158 PolarHBondContact O-N 3.24Å |
| 156 | M | 84.3 | Confident | 78.1 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 5% | 0.054 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -56.8 | -36.1 | 177.6 | -77.4 | -67.2 | 135.9 | 0 | 0 | 113.2 | S137 K154 N158 Q159 M165 F181 | S137-M156 WeakPolarHBondContact OG-CE 3.25Å; K154-M156 PolarHBondContact O-N 3.34Å; M156-N158 PolarHBondContact O-N 3.36Å; M156-Q159 PolarHBondContact O-N 2.97Å; M156-M165 HydrophobicContact CB-CE 3.71Å; M156-M165 HydrophobicContact CB-SD 4.46Å; M156-M165 WeakPolarHBondContact O-CE 3.35Å; M156-M165 HydrophobicContact SD-CE 4.39Å; M156-F181 HydrophobicContact CB-CB 4.08Å |
| 157 | C | 83.8 | Confident | 77.8 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 25% | 0.25 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -70 | -17.1 | -179 | -57.1 | 0 | 0 | 0 | 0 | 113.8 | N155 Q159 C173 G174 | N155-C157 VanDerWaalsContact C-N 3.25Å; N155-C157 PolarHBondContact O-N 3.38Å; N155-C157 WeakPolarHBondContact OD1-CB 3.12Å; N155-C157 PolarHBondContact OD1-N 3.24Å; C157-Q159 VanDerWaalsContact C-N 3.34Å; C157-C173 VanDerWaalsContact CA-SG 3.51Å; C157-C173 HydrophobicContact CB-CB 3.71Å; C157-C173 WeakPolarHBondContact CB-SG 3.31Å; C157-C173 WeakPolarHBondContact SG-CB 3.03Å; C157-C173 PolarHBondContact SG-O 3.45Å; C157-C173 VanDerWaalsContact SG-O 3.4Å; C157-C173 CovalentContact SG-SG 2.04Å; C157-C173 PolarHBondContact SG-SG 2.95Å; C157-G174 PolarHBondContact SG-N 2.87Å; C157-G174 VanDerWaalsContact SG-N 3.43Å |
| 158 | N | 80.8 | Confident | 77.3 | Confident | 121 Ų | 121 | 66.2 Ų | 66.2 | 65% | 0.647 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -89.7 | 2.2 | -179.9 | -70.6 | -9 | 0 | 0 | 0 | 113.1 | N155 M156 T160 | N155-N158 HydrophobicContact CB-CB 4.42Å; N155-N158 PolarHBondContact O-N 3.24Å; M156-N158 PolarHBondContact O-N 3.36Å; N158-T160 PolarHBondContact O-N 3.44Å |
| 159 | Q | 68.6 | Low | 76.8 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | trans | -84.9 | 106 | -176.1 | -60.6 | -167.3 | 18.6 | 0 | 0 | 111.5 | A136 M156 C157 G161 | A136-Q159 PolarHBondContact O-NE2 2.59Å; M156-Q159 PolarHBondContact O-N 2.97Å; C157-Q159 VanDerWaalsContact C-N 3.34Å; Q159-G161 PolarHBondContact O-N 2.96Å | ||
| 160 | T | 53.4 | Low | 76.4 | Confident | 156 Ų | 156 | 74.4 Ų | 74.4 | 96% | 0.957 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -76 | 16.4 | -167.2 | -3.4 | 0 | 0 | 0 | 0 | 116.2 | N158 | N158-T160 PolarHBondContact O-N 3.44Š|
| 161 | G | 52.5 | Low | 76 | Confident | 73 Ų | 73 | 75.1 Ų | 75.1 | 75% | 0.753 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -169.2 | 2.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | Q159 | Q159-G161 PolarHBondContact O-N 2.96Š|
| 162 | Q | 45.9 | Very low | 75.6 | Confident | 166 Ų | 166 | 78.2 Ų | 78.2 | 78% | 0.776 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -120.2 | -18.8 | -174.7 | -121.6 | 173.6 | -19.2 | 0 | 0 | 116.4 | ||
| 163 | M | 49.1 | Very low | 75.3 | Confident | 140 Ų | 140 | 76.9 Ų | 76.9 | 69% | 0.69 | 43% | 0.432 | S | S | * | . | trans | -138.3 | 121.4 | 165.1 | -89.1 | 143.7 | 179.4 | 0 | 0 | 105.9 | M165 | M163-M165 HydrophobicContact CB-CG 4.22Å; M163-M165 PolarHBondContact O-N 3.38Å | ||
| 164 | S | 48.3 | Very low | 75.1 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 62% | 0.622 | 43% | 0.428 | S | S | * | . | trans | -61.9 | 92.1 | 157.2 | 65.8 | 0 | 0 | 0 | 0 | 104.7 | N166 | S164-N166 WeakPolarHBondContact CB-OD1 3.43Å; S164-N166 VanDerWaalsContact O-CG 3.28Å; S164-N166 PolarHBondContact O-N 2.74Å; S164-N166 PolarHBondContact O-OD1 3.49Å; S164-N166 PolarHBondContact OG-ND2 3.44Å; S164-N166 PolarHBondContact OG-OD1 2.89Å | ||
| 165 | M | 60.4 | Low | 75 | Confident | 41 Ų | 41 | 74.6 Ų | 74.6 | 20% | 0.202 | 43% | 0.428 | C | S | . | . | trans | -66.5 | 77.8 | 174.1 | -69.9 | -163.9 | 175.2 | 0 | 0 | 105.9 | M156 M163 C167 C173 F181 | M156-M165 HydrophobicContact CB-CE 3.71Å; M156-M165 HydrophobicContact CB-SD 4.46Å; M156-M165 WeakPolarHBondContact O-CE 3.35Å; M156-M165 HydrophobicContact SD-CE 4.39Å; M163-M165 HydrophobicContact CB-CG 4.22Å; M163-M165 PolarHBondContact O-N 3.38Å; M165-C167 PolarHBondContact O-N 3.11Å; M165-C173 PolarHBondContact SD-SG 3.34Å; M165-F181 HydrophobicContact CB-CD2 4.44Å; M165-F181 HydrophobicContact CB-CE2 4Å; M165-F181 HydrophobicContact CB-CZ 4.18Å; M165-F181 HydrophobicContact CE-CB 4.32Å; M165-F181 HydrophobicContact CE-CD1 3.4Å; M165-F181 VanDerWaalsContact CE-CD1 3.4Å; M165-F181 HydrophobicContact CE-CE1 3.78Å; M165-F181 HydrophobicContact CE-CG 3.89Å; M165-F181 HydrophobicContact CG-CD1 4.29Å; M165-F181 HydrophobicContact CG-CD2 4.33Å; M165-F181 HydrophobicContact CG-CE1 4Å; M165-F181 HydrophobicContact CG-CE2 4.05Å; M165-F181 HydrophobicContact CG-CG 4.44Å; M165-F181 HydrophobicContact CG-CZ 3.87Å; M165-F181 HydrophobicContact SD-CB 4Å; M165-F181 HydrophobicContact SD-CD1 3.61Å; M165-F181 HydrophobicContact SD-CD2 3.77Å; M165-F181 HydrophobicContact SD-CE1 3.95Å; M165-F181 HydrophobicContact SD-CE2 4.11Å; M165-F181 HydrophobicContact SD-CG 3.51Å; M165-F181 VanDerWaalsContact SD-CG 3.51Å; M165-F181 HydrophobicContact SD-CZ 4.19Å | ||
| 166 | N | 70.1 | Confident | 75.1 | Confident | 130 Ų | 130 | 75.7 Ų | 75.7 | 70% | 0.695 | 43% | 0.429 | S | S | * | . | trans | -80.1 | 71.7 | -173.9 | -67.9 | -19.7 | 0 | 0 | 0 | 106.5 | S164 | S164-N166 WeakPolarHBondContact CB-OD1 3.43Å; S164-N166 VanDerWaalsContact O-CG 3.28Å; S164-N166 PolarHBondContact O-N 2.74Å; S164-N166 PolarHBondContact O-OD1 3.49Å; S164-N166 PolarHBondContact OG-ND2 3.44Å; S164-N166 PolarHBondContact OG-OD1 2.89Å | ||
| 167 | C | 83.4 | Confident | 75.5 | Confident | 26 Ų | 26 | 75.2 Ų | 75.2 | 18% | 0.176 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 138.9 | 162.1 | -72.1 | 0 | 0 | 0 | 0 | 108.1 | M165 S171 C183 | M165-C167 PolarHBondContact O-N 3.11Å; C167-S171 VanDerWaalsContact CB-OG 3.29Å; C167-S171 WeakPolarHBondContact CB-OG 3.25Å; C167-C183 WeakPolarHBondContact CA-SG 3.41Å; C167-C183 HydrophobicContact CB-CB 3.68Å; C167-C183 WeakPolarHBondContact CB-SG 3.01Å; C167-C183 VanDerWaalsContact SG-CA 3.59Å; C167-C183 WeakPolarHBondContact SG-CB 3.19Å; C167-C183 CovalentContact SG-SG 2.05Å; C167-C183 PolarHBondContact SG-SG 2.94Å |
| 168 | P | 85.7 | Confident | 75.9 | Confident | 53 Ų | 53 | 73.5 Ų | 73.5 | 34% | 0.344 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 164.9 | 178.5 | 21.5 | -30.8 | 0 | 0 | 0 | 111.5 | N170 S171 | P168-N170 PolarHBondContact O-N 2.88Å; P168-S171 WeakPolarHBondContact CD-OG 3.34Å; P168-S171 VanDerWaalsContact CG-OG 3.31Å; P168-S171 WeakPolarHBondContact CG-OG 3.36Å; P168-S171 VanDerWaalsContact N-OG 3.13Å; P168-S171 PolarHBondContact O-N 2.89Å; P168-S171 VanDerWaalsContact O-N 3.16Å; P168-S171 PolarHBondContact O-OG 2.86Å |
| 169 | E | 85.2 | Confident | 76.2 | Confident | 157 Ų | 157 | 69.1 Ų | 69.1 | 73% | 0.734 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 141.8 | 175.5 | -160.5 | 176.1 | -175.2 | 0 | 0 | 110.9 | S171 | E169-S171 VanDerWaalsContact C-N 3.28Å; E169-S171 PolarHBondContact O-N 3.3Å |
| 170 | N | 88.9 | Confident | 77.1 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 24% | 0.235 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 31.8 | -175.7 | -39.1 | -64.7 | 0 | 0 | 0 | 114.2 | P168 D186 Y189 C194 | P168-N170 PolarHBondContact O-N 2.88Å; N170-D186 WeakPolarHBondContact O-CB 3.19Å; N170-D186 PolarHBondContact O-N 2.9Å; N170-Y189 HydrophobicContact CB-CD1 3.44Å; N170-Y189 VanDerWaalsContact CB-CD1 3.44Å; N170-Y189 HydrophobicContact CB-CD2 3.73Å; N170-Y189 HydrophobicContact CB-CE1 3.6Å; N170-Y189 HydrophobicContact CB-CE2 3.9Å; N170-Y189 HydrophobicContact CB-CG 3.49Å; N170-Y189 VanDerWaalsContact CB-CG 3.49Å; N170-Y189 VanDerWaalsContact CG-CZ 3.47Å; N170-Y189 VanDerWaalsContact OD1-CZ 3.29Å; N170-Y189 PolarHBondContact OD1-OH 2.84Å; N170-C194 HydrophobicContact CB-CB 4.42Å; N170-C194 VanDerWaalsContact O-CB 3.3Å; N170-C194 WeakPolarHBondContact O-CB 3.19Å |
| 171 | S | 89.1 | Confident | 78.8 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 11% | 0.112 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 151.3 | 171.2 | 69.1 | 0 | 0 | 0 | 0 | 111.7 | C167 P168 E169 R184 | C167-S171 VanDerWaalsContact CB-OG 3.29Å; C167-S171 WeakPolarHBondContact CB-OG 3.25Å; P168-S171 WeakPolarHBondContact CD-OG 3.34Å; P168-S171 VanDerWaalsContact CG-OG 3.31Å; P168-S171 WeakPolarHBondContact CG-OG 3.36Å; P168-S171 VanDerWaalsContact N-OG 3.13Å; P168-S171 PolarHBondContact O-N 2.89Å; P168-S171 VanDerWaalsContact O-N 3.16Å; P168-S171 PolarHBondContact O-OG 2.86Å; E169-S171 VanDerWaalsContact C-N 3.28Å; E169-S171 PolarHBondContact O-N 3.3Å; S171-R184 CarbonylContact C-O 3.59Å; S171-R184 WeakPolarHBondContact CA-O 3.44Å; S171-R184 WeakPolarHBondContact CB-O 3.49Å |
| 172 | L | 88.6 | Confident | 80.5 | Confident | 99 Ų | 99 | 62.7 Ų | 62.7 | 52% | 0.518 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 143.6 | -178.1 | -60.2 | 175.7 | 0 | 0 | 0 | 109.1 | G174 C183 R184 D186 | L172-G174 PolarHBondContact O-N 3.18Å; L172-C183 WeakPolarHBondContact O-CA 3.29Å; L172-R184 PolarHBondContact N-O 3.47Å; L172-R184 PolarHBondContact O-N 3.47Å; L172-D186 HydrophobicContact CD1-CB 4.48Å; L172-D186 HydrophobicContact CG-CB 4.26Å |
| 173 | C | 88.8 | Confident | 82.6 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 128.8 | 171 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | C157 M165 | C157-C173 VanDerWaalsContact CA-SG 3.51Å; C157-C173 HydrophobicContact CB-CB 3.71Å; C157-C173 WeakPolarHBondContact CB-SG 3.31Å; C157-C173 WeakPolarHBondContact SG-CB 3.03Å; C157-C173 PolarHBondContact SG-O 3.45Å; C157-C173 VanDerWaalsContact SG-O 3.4Å; C157-C173 CovalentContact SG-SG 2.04Å; C157-C173 PolarHBondContact SG-SG 2.95Å; M165-C173 PolarHBondContact SD-SG 3.34Å |
| 174 | G | 89.5 | Confident | 84.5 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 9% | 0.093 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | C157 L172 F181 E182 | C157-G174 PolarHBondContact SG-N 2.87Å; C157-G174 VanDerWaalsContact SG-N 3.43Å; L172-G174 PolarHBondContact O-N 3.18Å; G174-F181 WeakPolarHBondContact O-CA 3.41Å; G174-E182 PolarHBondContact N-O 3.4Å; G174-E182 PolarHBondContact O-N 2.98Å |
| 175 | P | 89.7 | Confident | 86.5 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 29% | 0.286 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 145.4 | 171.5 | 28.3 | -33.9 | 0 | 0 | 0 | 110.1 | L118 | L118-P175 WeakPolarHBondContact CD2-O 3.43Å |
| 176 | Y | 91.9 | Very high | 87.9 | Confident | 80 Ų | 80 | 55.7 Ų | 55.7 | 31% | 0.314 | 30% | 0.3 | S | S | . | . | trans | -138.7 | 36.8 | -179.8 | -160.4 | -118.2 | 0 | 0 | 0 | 112.8 | Q115 G116 S180 E182 | Q115-Y176 WeakPolarHBondContact CA-O 3.22Å; Q115-Y176 HydrophobicContact CB-CD1 3.99Å; Q115-Y176 HydrophobicContact CB-CE1 3.61Å; Q115-Y176 HydrophobicContact CG-CD1 4.04Å; Q115-Y176 HydrophobicContact CG-CE1 3.99Å; G116-Y176 PolarHBondContact N-O 3.45Å; Y176-S180 PolarHBondContact N-O 3.22Å; Y176-S180 WeakPolarHBondContact O-CB 3.34Å; Y176-E182 HydrophobicContact CD2-CG 4.1Å; Y176-E182 WeakPolarHBondContact CD2-OE1 3.44Å; Y176-E182 HydrophobicContact CG-CB 4.28Å; Y176-E182 HydrophobicContact CG-CG 4.24Å | ||
| 177 | G | 92.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 100.2 | -178.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F117 G179 S180 | F117-G177 WeakPolarHBondContact O-CA 3.01Å; G177-G179 PolarHBondContact O-N 2.88Å; G177-S180 PolarHBondContact O-N 3.47Å; G177-S180 VanDerWaalsContact O-N 3.15Å; G177-S180 VanDerWaalsContact O-O 3.13Å |
| 178 | P | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 126.6 | 179.7 | -18.9 | 27.6 | 0 | 0 | 0 | 111.5 | F114 L120 P132 W138 Q153 S180 | F114-P178 HydrophobicContact CB-CG 3.99Å; L120-P178 HydrophobicContact CD2-CG 3.94Å; P132-P178 HydrophobicContact CB-CB 4.11Å; W138-P178 HydrophobicContact CH2-CG 4.26Å; W138-P178 HydrophobicContact CZ2-CB 3.86Å; W138-P178 HydrophobicContact CZ2-CG 3.73Å; Q153-P178 VanDerWaalsContact OE1-CG 3.23Å; P178-S180 PolarHBondContact O-N 3.32Å; P178-S180 VanDerWaalsContact O-N 3.1Å; P178-S180 PolarHBondContact O-OG 3.37Å |
| 179 | G | 86.8 | Confident | 88.9 | Confident | 30 Ų | 30 | 62 Ų | 62 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 3.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | S137 G177 | S137-G179 WeakPolarHBondContact OG-CA 3.35Å; S137-G179 PolarHBondContact OG-N 2.47Å; G177-G179 PolarHBondContact O-N 2.88Å |
| 180 | S | 88.5 | Confident | 89 | Confident | 16 Ų | 16 | 58 Ų | 58 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | trans | -126.1 | 144 | -169.7 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | Y176 G177 P178 | Y176-S180 PolarHBondContact N-O 3.22Å; Y176-S180 WeakPolarHBondContact O-CB 3.34Å; G177-S180 PolarHBondContact O-N 3.47Å; G177-S180 VanDerWaalsContact O-N 3.15Å; G177-S180 VanDerWaalsContact O-O 3.13Å; P178-S180 PolarHBondContact O-N 3.32Å; P178-S180 VanDerWaalsContact O-N 3.1Å; P178-S180 PolarHBondContact O-OG 3.37Å | ||
| 181 | F | 88 | Confident | 88.8 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 33% | 0.333 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 160.2 | 173.8 | 72.8 | -82.4 | 0 | 0 | 0 | 109.3 | M156 M165 G174 | M156-F181 HydrophobicContact CB-CB 4.08Å; M165-F181 HydrophobicContact CB-CD2 4.44Å; M165-F181 HydrophobicContact CB-CE2 4Å; M165-F181 HydrophobicContact CB-CZ 4.18Å; M165-F181 HydrophobicContact CE-CB 4.32Å; M165-F181 HydrophobicContact CE-CD1 3.4Å; M165-F181 VanDerWaalsContact CE-CD1 3.4Å; M165-F181 HydrophobicContact CE-CE1 3.78Å; M165-F181 HydrophobicContact CE-CG 3.89Å; M165-F181 HydrophobicContact CG-CD1 4.29Å; M165-F181 HydrophobicContact CG-CD2 4.33Å; M165-F181 HydrophobicContact CG-CE1 4Å; M165-F181 HydrophobicContact CG-CE2 4.05Å; M165-F181 HydrophobicContact CG-CG 4.44Å; M165-F181 HydrophobicContact CG-CZ 3.87Å; M165-F181 HydrophobicContact SD-CB 4Å; M165-F181 HydrophobicContact SD-CD1 3.61Å; M165-F181 HydrophobicContact SD-CD2 3.77Å; M165-F181 HydrophobicContact SD-CE1 3.95Å; M165-F181 HydrophobicContact SD-CE2 4.11Å; M165-F181 HydrophobicContact SD-CG 3.51Å; M165-F181 VanDerWaalsContact SD-CG 3.51Å; M165-F181 HydrophobicContact SD-CZ 4.19Å; G174-F181 WeakPolarHBondContact O-CA 3.41Å |
| 182 | E | 89.5 | Confident | 88.5 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 26% | 0.262 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 156.5 | 171.9 | 65.3 | 177.5 | 161 | 0 | 0 | 110.5 | G174 Y176 R184 | G174-E182 PolarHBondContact N-O 3.4Å; G174-E182 PolarHBondContact O-N 2.98Å; Y176-E182 HydrophobicContact CD2-CG 4.1Å; Y176-E182 WeakPolarHBondContact CD2-OE1 3.44Å; Y176-E182 HydrophobicContact CG-CB 4.28Å; Y176-E182 HydrophobicContact CG-CG 4.24Å; E182-R184 HydrophobicContact CG-CG 4.08Å; E182-R184 IonicContact OE1-CZ 2.68Å; E182-R184 IonicContact OE1-NE 3.6Å; E182-R184 PolarHBondContact OE1-NE 2.89Å; E182-R184 IonicContact OE1-NH2 3.05Å; E182-R184 PolarHBondContact OE1-NH2 3.41Å |
| 183 | C | 89.5 | Confident | 88.3 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 34% | 0.338 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 111.4 | 174.7 | -61.3 | 0 | 0 | 0 | 0 | 108.6 | C167 L172 | C167-C183 WeakPolarHBondContact CA-SG 3.41Å; C167-C183 HydrophobicContact CB-CB 3.68Å; C167-C183 WeakPolarHBondContact CB-SG 3.01Å; C167-C183 VanDerWaalsContact SG-CA 3.59Å; C167-C183 WeakPolarHBondContact SG-CB 3.19Å; C167-C183 CovalentContact SG-SG 2.05Å; C167-C183 PolarHBondContact SG-SG 2.94Å; L172-C183 WeakPolarHBondContact O-CA 3.29Å |
| 184 | R | 89.3 | Confident | 88.3 | Confident | 131 Ų | 131 | 64.5 Ų | 64.5 | 49% | 0.494 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 144.7 | 176.9 | -62.1 | -175.7 | 179.3 | -179 | 2 | 109.2 | S171 L172 E182 | S171-R184 CarbonylContact C-O 3.59Å; S171-R184 WeakPolarHBondContact CA-O 3.44Å; S171-R184 WeakPolarHBondContact CB-O 3.49Å; L172-R184 PolarHBondContact N-O 3.47Å; L172-R184 PolarHBondContact O-N 3.47Å; E182-R184 HydrophobicContact CG-CG 4.08Å; E182-R184 IonicContact OE1-CZ 2.68Å; E182-R184 IonicContact OE1-NE 3.6Å; E182-R184 PolarHBondContact OE1-NE 2.89Å; E182-R184 IonicContact OE1-NH2 3.05Å; E182-R184 PolarHBondContact OE1-NH2 3.41Å |
| 185 | C | 90.3 | Very high | 88.2 | Confident | 46 Ų | 46 | 69.9 Ų | 69.9 | 31% | 0.311 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 141.8 | 177 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | Y189 C194 | C185-Y189 WeakPolarHBondContact CB-O 3.33Å; C185-C194 WeakPolarHBondContact CA-SG 3.22Å; C185-C194 HydrophobicContact CB-CB 3.68Å; C185-C194 WeakPolarHBondContact CB-SG 3.49Å; C185-C194 WeakPolarHBondContact SG-CA 3.43Å; C185-C194 WeakPolarHBondContact SG-CB 3.47Å; C185-C194 CovalentContact SG-SG 2.04Å; C185-C194 PolarHBondContact SG-SG 3.3Å |
| 186 | D | 89.3 | Confident | 88 | Confident | 63 Ų | 63 | 75.6 Ų | 75.6 | 34% | 0.337 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 164.2 | 171.7 | -165.8 | 11.9 | 0 | 0 | 0 | 110.2 | N170 L172 N188 Y189 | N170-D186 WeakPolarHBondContact O-CB 3.19Å; N170-D186 PolarHBondContact O-N 2.9Å; L172-D186 HydrophobicContact CD1-CB 4.48Å; L172-D186 HydrophobicContact CG-CB 4.26Å; D186-N188 PolarHBondContact O-N 3.34Å; D186-Y189 HydrophobicContact CB-CD2 4.21Å; D186-Y189 PolarHBondContact O-N 3Å |
| 187 | E | 85.8 | Confident | 87.6 | Confident | 161 Ų | 161 | 77.8 Ų | 77.8 | 75% | 0.752 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 131.6 | -178.8 | -67.8 | -171.5 | 174.7 | 0 | 0 | 111 | Y189 | E187-Y189 VanDerWaalsContact C-N 3.27Å; E187-Y189 WeakPolarHBondContact O-CD2 3.44Å; E187-Y189 PolarHBondContact O-N 2.78Å |
| 188 | N | 85.4 | Confident | 86.7 | Confident | 125 Ų | 125 | 81.2 Ų | 81.2 | 67% | 0.668 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | -1.6 | -176.6 | -45.8 | -72 | 0 | 0 | 0 | 116.6 | D186 | D186-N188 PolarHBondContact O-N 3.34Š|
| 189 | Y | 88.7 | Confident | 86 | Confident | 54 Ų | 54 | 89.9 Ų | 89.9 | 21% | 0.212 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 145.6 | 172.9 | -66.4 | -92.4 | 0 | 0 | 0 | 111.5 | N170 C185 D186 E187 C194 R196 Q197 | N170-Y189 HydrophobicContact CB-CD1 3.44Å; N170-Y189 VanDerWaalsContact CB-CD1 3.44Å; N170-Y189 HydrophobicContact CB-CD2 3.73Å; N170-Y189 HydrophobicContact CB-CE1 3.6Å; N170-Y189 HydrophobicContact CB-CE2 3.9Å; N170-Y189 HydrophobicContact CB-CG 3.49Å; N170-Y189 VanDerWaalsContact CB-CG 3.49Å; N170-Y189 VanDerWaalsContact CG-CZ 3.47Å; N170-Y189 VanDerWaalsContact OD1-CZ 3.29Å; N170-Y189 PolarHBondContact OD1-OH 2.84Å; C185-Y189 WeakPolarHBondContact CB-O 3.33Å; D186-Y189 HydrophobicContact CB-CD2 4.21Å; D186-Y189 PolarHBondContact O-N 3Å; E187-Y189 VanDerWaalsContact C-N 3.27Å; E187-Y189 WeakPolarHBondContact O-CD2 3.44Å; E187-Y189 PolarHBondContact O-N 2.78Å; Y189-C194 VanDerWaalsContact CD1-O 3.25Å; Y189-C194 WeakPolarHBondContact CD1-O 3.26Å; Y189-R196 CarbonylContact C-O 3.59Å; Y189-R196 VanDerWaalsContact CA-O 3.31Å; Y189-R196 WeakPolarHBondContact CA-O 3.17Å; Y189-Q197 HydrophobicContact CD1-CB 4.28Å; Y189-Q197 HydrophobicContact CE1-CB 4.1Å; Y189-Q197 HydrophobicContact CE1-CG 4.23Å |
| 190 | H | 87.6 | Confident | 85.5 | Confident | 73 Ų | 73 | 93.7 Ų | 93.7 | 34% | 0.338 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 176.9 | 179.5 | 58.9 | -75.1 | 0 | 0 | 0 | 111.8 | R196 A198 | H190-R196 PolarHBondContact N-O 3.24Å; H190-R196 PolarHBondContact ND1-O 3.14Å; H190-R196 WeakPolarHBondContact O-CB 3.33Å; H190-R196 PolarHBondContact O-N 3.16Å; H190-A198 PolarHBondContact CE1-O 2.92Å |
| 191 | G | 84.3 | Confident | 85.2 | Confident | 41 Ų | 41 | 96 Ų | 96 | 42% | 0.423 | 47% | 0.471 | S | S | . | . | S | Bend | trans | 79.6 | -173.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K193 C194 | G191-K193 PolarHBondContact O-N 3.47Å; G191-C194 PolarHBondContact O-N 3Å; G191-C194 VanDerWaalsContact O-N 3.12Å |
| 192 | Y | 83.3 | Confident | 85.1 | Confident | 181 Ų | 181 | 96.2 Ų | 96.2 | 71% | 0.71 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -59.8 | 124.2 | -178 | -177.9 | -107.4 | 0 | 0 | 0 | 111 | C194 | Y192-C194 PolarHBondContact O-N 3.43Š|
| 193 | K | 84.4 | Confident | 85 | Confident | 113 Ų | 113 | 100.8 Ų | 100.8 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | 56.6 | 22.8 | -177.2 | -62 | 177.4 | 173.6 | 175.2 | 0 | 114.8 | G191 L195 | G191-K193 PolarHBondContact O-N 3.47Å; K193-L195 HydrophobicContact CB-CD1 4.27Å; K193-L195 HydrophobicContact CB-CG 4.04Å; K193-L195 PolarHBondContact O-N 3.08Å; K193-L195 VanDerWaalsContact O-N 3.14Å |
| 194 | C | 88.9 | Confident | 84.9 | Confident | 5 Ų | 5 | 106.6 Ų | 106.6 | 3% | 0.034 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | 58.7 | 29.9 | 175.1 | -48.4 | 0 | 0 | 0 | 0 | 114.1 | N170 C185 Y189 G191 Y192 | N170-C194 HydrophobicContact CB-CB 4.42Å; N170-C194 VanDerWaalsContact O-CB 3.3Å; N170-C194 WeakPolarHBondContact O-CB 3.19Å; C185-C194 WeakPolarHBondContact CA-SG 3.22Å; C185-C194 HydrophobicContact CB-CB 3.68Å; C185-C194 WeakPolarHBondContact CB-SG 3.49Å; C185-C194 WeakPolarHBondContact SG-CA 3.43Å; C185-C194 WeakPolarHBondContact SG-CB 3.47Å; C185-C194 CovalentContact SG-SG 2.04Å; C185-C194 PolarHBondContact SG-SG 3.3Å; Y189-C194 VanDerWaalsContact CD1-O 3.25Å; Y189-C194 WeakPolarHBondContact CD1-O 3.26Å; G191-C194 PolarHBondContact O-N 3Å; G191-C194 VanDerWaalsContact O-N 3.12Å; Y192-C194 PolarHBondContact O-N 3.43Å |
| 195 | L | 88.1 | Confident | 84.9 | Confident | 122 Ų | 122 | 103.2 Ų | 103.2 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | trans | -85.3 | -7.8 | -176.6 | -61.9 | 177.7 | 0 | 0 | 0 | 113.7 | K193 | K193-L195 HydrophobicContact CB-CD1 4.27Å; K193-L195 HydrophobicContact CB-CG 4.04Å; K193-L195 PolarHBondContact O-N 3.08Å; K193-L195 VanDerWaalsContact O-N 3.14Å | ||
| 196 | R | 85.8 | Confident | 85 | Confident | 163 Ų | 163 | 106.5 Ų | 106.5 | 62% | 0.615 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.1 | -179 | -58.2 | -176.6 | 178.9 | 175 | 0.4 | 109.9 | Y189 H190 | Y189-R196 CarbonylContact C-O 3.59Å; Y189-R196 VanDerWaalsContact CA-O 3.31Å; Y189-R196 WeakPolarHBondContact CA-O 3.17Å; H190-R196 PolarHBondContact N-O 3.24Å; H190-R196 PolarHBondContact ND1-O 3.14Å; H190-R196 WeakPolarHBondContact O-CB 3.33Å; H190-R196 PolarHBondContact O-N 3.16Å |
| 197 | Q | 83.3 | Confident | 85.3 | Confident | 127 Ų | 127 | 105 Ų | 105 | 59% | 0.593 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.5 | 174.1 | -166.8 | 178 | 9.6 | 0 | 0 | 108.1 | Y189 | Y189-Q197 HydrophobicContact CD1-CB 4.28Å; Y189-Q197 HydrophobicContact CE1-CB 4.1Å; Y189-Q197 HydrophobicContact CE1-CG 4.23Å |
| 198 | A | 73.3 | Confident | 85.8 | Confident | 72 Ų | 72 | 101.2 Ų | 101.2 | 60% | 0.595 | 52% | 0.515 | S | S | * | . | S | Bend | trans | 72.3 | 154.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | H190 | H190-A198 PolarHBondContact CE1-O 2.92Š|
| 199 | E | 75.7 | Confident | 86.2 | Confident | 182 Ų | 182 | 99.8 Ų | 99.8 | 85% | 0.85 | 51% | 0.507 | S | S | * | . | trans | -63 | 148.9 | -175.8 | -62.8 | -176.5 | 168.6 | 0 | 0 | 112.8 | ||||
| 200 | F | 77.2 | Confident | 86.5 | Confident | 111 Ų | 111 | 100 Ų | 100 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | trans | -57.4 | 126.5 | 172.4 | -177.8 | -97.1 | 0 | 0 | 0 | 109.5 | V202 V205 F206 | F200-V202 HydrophobicContact CD1-CG2 3.96Å; F200-V202 WeakPolarHBondContact O-CG2 3.43Å; F200-V202 PolarHBondContact O-N 3.44Å; F200-V205 HydrophobicContact CE1-CB 4.07Å; F200-V205 HydrophobicContact CE1-CG1 4.44Å; F200-V205 HydrophobicContact CE1-CG2 4.12Å; F200-V205 HydrophobicContact CE2-CG2 4.48Å; F200-V205 HydrophobicContact CZ-CB 3.99Å; F200-V205 HydrophobicContact CZ-CG1 4.07Å; F200-V205 HydrophobicContact CZ-CG2 3.75Å; F200-F206 HydrophobicContact CD1-CE2 4.43Å; F200-F206 HydrophobicContact CE1-CD2 4.13Å; F200-F206 AromaticContact CE1-CE2 3.65Å; F200-F206 HydrophobicContact CE1-CE2 3.65Å; F200-F206 HydrophobicContact CZ-CE2 4.48Å | ||
| 201 | P | 82.1 | Confident | 86.9 | Confident | 63 Ų | 63 | 99.1 Ų | 99.1 | 41% | 0.409 | 53% | 0.526 | S | S | . | . | trans | -77.4 | 73 | -173.9 | 32.1 | -36.4 | 0 | 0 | 0 | 111 | L203 K204 V205 | P201-L203 VanDerWaalsContact C-N 3.28Å; P201-L203 PolarHBondContact O-N 3.37Å; P201-K204 HydrophobicContact CB-CB 4.15Å; P201-K204 HydrophobicContact CB-CD 4.05Å; P201-K204 HydrophobicContact CB-CG 4.21Å; P201-K204 PolarHBondContact O-N 2.83Å; P201-V205 PolarHBondContact O-N 2.92Å | ||
| 202 | V | 85.8 | Confident | 87.4 | Confident | 82 Ų | 82 | 99.6 Ų | 99.6 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -48.3 | -49.2 | -173.6 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | F200 K204 V205 F206 | F200-V202 HydrophobicContact CD1-CG2 3.96Å; F200-V202 WeakPolarHBondContact O-CG2 3.43Å; F200-V202 PolarHBondContact O-N 3.44Å; V202-K204 PolarHBondContact O-N 3.37Å; V202-V205 PolarHBondContact O-N 2.8Å; V202-F206 HydrophobicContact CB-CD2 4.42Å; V202-F206 HydrophobicContact CG1-CD2 3.79Å; V202-F206 WeakPolarHBondContact O-CB 3.35Å; V202-F206 WeakPolarHBondContact O-CD2 3.22Å; V202-F206 PolarHBondContact O-N 2.9Å |
| 203 | L | 88.1 | Confident | 88 | Confident | 151 Ų | 151 | 95 Ų | 95 | 79% | 0.791 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.3 | -35.5 | -177.5 | -69.6 | 172.2 | 0 | 0 | 0 | 113.4 | P201 V205 G207 | P201-L203 VanDerWaalsContact C-N 3.28Å; P201-L203 PolarHBondContact O-N 3.37Å; L203-V205 VanDerWaalsContact C-N 3.35Å; L203-G207 VanDerWaalsContact O-CA 3.26Å; L203-G207 WeakPolarHBondContact O-CA 3.24Å; L203-G207 PolarHBondContact O-N 3.49Å |
| 204 | K | 86.7 | Confident | 88.6 | Confident | 172 Ų | 172 | 94.4 Ų | 94.4 | 75% | 0.748 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.2 | -33.8 | -179.5 | -64.9 | -175.3 | -177.9 | 173.2 | 0 | 111.6 | P201 V202 P208 | P201-K204 HydrophobicContact CB-CB 4.15Å; P201-K204 HydrophobicContact CB-CD 4.05Å; P201-K204 HydrophobicContact CB-CG 4.21Å; P201-K204 PolarHBondContact O-N 2.83Å; V202-K204 PolarHBondContact O-N 3.37Å; K204-P208 VanDerWaalsContact O-CD 3.22Å; K204-P208 WeakPolarHBondContact O-CD 3.35Å; K204-P208 WeakPolarHBondContact O-CG 3.49Å |
| 205 | V | 88.9 | Confident | 88.9 | Confident | 61 Ų | 61 | 98.3 Ų | 98.3 | 37% | 0.37 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -89.4 | -53.2 | -178.6 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | F200 P201 V202 L203 L209 | F200-V205 HydrophobicContact CE1-CB 4.07Å; F200-V205 HydrophobicContact CE1-CG1 4.44Å; F200-V205 HydrophobicContact CE1-CG2 4.12Å; F200-V205 HydrophobicContact CE2-CG2 4.48Å; F200-V205 HydrophobicContact CZ-CB 3.99Å; F200-V205 HydrophobicContact CZ-CG1 4.07Å; F200-V205 HydrophobicContact CZ-CG2 3.75Å; P201-V205 PolarHBondContact O-N 2.92Å; V202-V205 PolarHBondContact O-N 2.8Å; L203-V205 VanDerWaalsContact C-N 3.35Å; V205-L209 HydrophobicContact CG1-CD1 4.38Å; V205-L209 WeakPolarHBondContact O-CD1 3.5Å |
| 206 | F | 93.2 | Very high | 89.2 | Confident | 114 Ų | 114 | 97.1 Ų | 97.1 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -81.8 | -22.8 | -175.2 | -68.4 | -75 | 0 | 0 | 0 | 113.6 | F200 V202 L209 A210 | F200-F206 HydrophobicContact CD1-CE2 4.43Å; F200-F206 HydrophobicContact CE1-CD2 4.13Å; F200-F206 AromaticContact CE1-CE2 3.65Å; F200-F206 HydrophobicContact CE1-CE2 3.65Å; F200-F206 HydrophobicContact CZ-CE2 4.48Å; V202-F206 HydrophobicContact CB-CD2 4.42Å; V202-F206 HydrophobicContact CG1-CD2 3.79Å; V202-F206 WeakPolarHBondContact O-CB 3.35Å; V202-F206 WeakPolarHBondContact O-CD2 3.22Å; V202-F206 PolarHBondContact O-N 2.9Å; F206-L209 HydrophobicContact CD1-CD1 4.27Å; F206-L209 PolarHBondContact O-N 3.36Å; F206-A210 VanDerWaalsContact O-CB 3.29Å; F206-A210 WeakPolarHBondContact O-CB 3.49Å; F206-A210 PolarHBondContact O-N 3.31Å |
| 207 | G | 95.3 | Very high | 89.5 | Confident | 31 Ų | 31 | 92.4 Ų | 92.4 | 32% | 0.32 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.1 | -54.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L203 L209 A210 A211 | L203-G207 VanDerWaalsContact O-CA 3.26Å; L203-G207 WeakPolarHBondContact O-CA 3.24Å; L203-G207 PolarHBondContact O-N 3.49Å; G207-L209 VanDerWaalsContact C-N 3.35Å; G207-L209 PolarHBondContact O-N 3.27Å; G207-A210 PolarHBondContact O-N 3.42Å; G207-A211 WeakPolarHBondContact O-CB 3.34Å; G207-A211 PolarHBondContact O-N 3.04Å |
| 208 | P | 96.2 | Very high | 89.9 | Confident | 82 Ų | 82 | 92.4 Ų | 92.4 | 53% | 0.532 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 175.7 | -25.3 | 35 | 0 | 0 | 0 | 113.6 | K204 A211 S212 | K204-P208 VanDerWaalsContact O-CD 3.22Å; K204-P208 WeakPolarHBondContact O-CD 3.35Å; K204-P208 WeakPolarHBondContact O-CG 3.49Å; P208-A211 PolarHBondContact O-N 3.27Å; P208-S212 WeakPolarHBondContact O-CB 3.4Å; P208-S212 PolarHBondContact O-N 3.44Å; P208-S212 PolarHBondContact O-OG 3.49Å |
| 209 | L | 94.1 | Very high | 90.7 | Very high | 95 Ų | 95 | 93.3 Ų | 93.3 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 176.7 | -78 | 165.1 | 0 | 0 | 0 | 111.9 | V205 F206 G207 S212 T213 | V205-L209 HydrophobicContact CG1-CD1 4.38Å; V205-L209 WeakPolarHBondContact O-CD1 3.5Å; F206-L209 HydrophobicContact CD1-CD1 4.27Å; F206-L209 PolarHBondContact O-N 3.36Å; G207-L209 VanDerWaalsContact C-N 3.35Å; G207-L209 PolarHBondContact O-N 3.27Å; L209-S212 WeakPolarHBondContact CA-OG 3.29Å; L209-S212 PolarHBondContact O-OG 3.27Å; L209-T213 WeakPolarHBondContact O-CB 3.24Å; L209-T213 PolarHBondContact O-N 3.03Å; L209-T213 PolarHBondContact O-OG1 2.95Å |
| 210 | A | 95.1 | Very high | 91.4 | Very high | 58 Ų | 58 | 88.1 Ų | 88.1 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F206 G207 S212 T213 V214 | F206-A210 VanDerWaalsContact O-CB 3.29Å; F206-A210 WeakPolarHBondContact O-CB 3.49Å; F206-A210 PolarHBondContact O-N 3.31Å; G207-A210 PolarHBondContact O-N 3.42Å; A210-S212 PolarHBondContact O-N 2.96Å; A210-T213 PolarHBondContact O-N 3.49Å; A210-V214 WeakPolarHBondContact O-CG2 3.38Å; A210-V214 PolarHBondContact O-N 3.37Å |
| 211 | A | 95.8 | Very high | 91.7 | Very high | 56 Ų | 56 | 89 Ų | 89 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G207 P208 T213 V214 V215 | G207-A211 WeakPolarHBondContact O-CB 3.34Å; G207-A211 PolarHBondContact O-N 3.04Å; P208-A211 PolarHBondContact O-N 3.27Å; A211-T213 VanDerWaalsContact C-N 3.33Å; A211-T213 PolarHBondContact O-N 3.44Å; A211-V214 PolarHBondContact O-N 2.95Å; A211-V215 VanDerWaalsContact O-CG2 3.3Å; A211-V215 WeakPolarHBondContact O-CG2 3.37Å; A211-V215 PolarHBondContact O-N 3.46Å |
| 212 | S | 95.3 | Very high | 91.8 | Very high | 50 Ų | 50 | 88.9 Ų | 88.9 | 35% | 0.35 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 177 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | P208 L209 A210 V214 V215 I216 | P208-S212 WeakPolarHBondContact O-CB 3.4Å; P208-S212 PolarHBondContact O-N 3.44Å; P208-S212 PolarHBondContact O-OG 3.49Å; L209-S212 WeakPolarHBondContact CA-OG 3.29Å; L209-S212 PolarHBondContact O-OG 3.27Å; A210-S212 PolarHBondContact O-N 2.96Å; S212-V214 PolarHBondContact O-N 3.26Å; S212-V215 PolarHBondContact O-N 2.89Å; S212-I216 WeakPolarHBondContact O-CB 3.3Å; S212-I216 VanDerWaalsContact O-CG1 3.24Å; S212-I216 WeakPolarHBondContact O-CG1 3.36Å; S212-I216 PolarHBondContact O-N 3.49Å |
| 213 | T | 95.6 | Very high | 91.7 | Very high | 84 Ų | 84 | 88.7 Ų | 88.7 | 52% | 0.515 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | L209 A210 A211 S217 | L209-T213 WeakPolarHBondContact O-CB 3.24Å; L209-T213 PolarHBondContact O-N 3.03Å; L209-T213 PolarHBondContact O-OG1 2.95Å; A210-T213 PolarHBondContact O-N 3.49Å; A211-T213 VanDerWaalsContact C-N 3.33Å; A211-T213 PolarHBondContact O-N 3.44Å; T213-S217 WeakPolarHBondContact O-CB 3.46Å; T213-S217 PolarHBondContact O-N 3.37Å; T213-S217 PolarHBondContact O-OG 2.72Å |
| 214 | V | 95.7 | Very high | 91.1 | Very high | 102 Ų | 102 | 87.8 Ų | 87.8 | 62% | 0.618 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.3 | -46 | 177.4 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | A210 A211 S212 S217 F218 | A210-V214 WeakPolarHBondContact O-CG2 3.38Å; A210-V214 PolarHBondContact O-N 3.37Å; A211-V214 PolarHBondContact O-N 2.95Å; S212-V214 PolarHBondContact O-N 3.26Å; V214-S217 PolarHBondContact O-N 2.88Å; V214-F218 WeakPolarHBondContact O-CB 3.42Å; V214-F218 PolarHBondContact O-N 2.9Å |
| 215 | V | 95.9 | Very high | 90.1 | Very high | 86 Ų | 86 | 87.2 Ų | 87.2 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -48.7 | 179.6 | 171.4 | 0 | 0 | 0 | 0 | 111 | A211 S212 S217 F218 L219 | A211-V215 VanDerWaalsContact O-CG2 3.3Å; A211-V215 WeakPolarHBondContact O-CG2 3.37Å; A211-V215 PolarHBondContact O-N 3.46Å; S212-V215 PolarHBondContact O-N 2.89Å; V215-S217 PolarHBondContact O-N 2.87Å; V215-F218 PolarHBondContact O-N 3.33Å; V215-L219 HydrophobicContact CG1-CD1 4.05Å; V215-L219 HydrophobicContact CG1-CG 4.47Å; V215-L219 WeakPolarHBondContact O-CG 3.35Å; V215-L219 PolarHBondContact O-N 3.33Å |
| 216 | I | 94.1 | Very high | 88.8 | Confident | 97 Ų | 97 | 93 Ų | 93 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 177.6 | -68.2 | 167 | 0 | 0 | 0 | 110.2 | S212 F218 L219 L220 | S212-I216 WeakPolarHBondContact O-CB 3.3Å; S212-I216 VanDerWaalsContact O-CG1 3.24Å; S212-I216 WeakPolarHBondContact O-CG1 3.36Å; S212-I216 PolarHBondContact O-N 3.49Å; I216-F218 VanDerWaalsContact C-N 3.28Å; I216-F218 PolarHBondContact O-N 2.69Å; I216-L219 PolarHBondContact O-N 2.9Å; I216-L220 HydrophobicContact CG2-CD1 3.76Å; I216-L220 HydrophobicContact CG2-CG 4.16Å; I216-L220 WeakPolarHBondContact O-CB 3.22Å; I216-L220 VanDerWaalsContact O-CG 3.27Å; I216-L220 WeakPolarHBondContact O-CG 3.34Å; I216-L220 PolarHBondContact O-N 2.84Å |
| 217 | S | 91.8 | Very high | 87.1 | Confident | 65 Ų | 65 | 96.1 Ų | 96.1 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 177.5 | -60.7 | 0 | 0 | 0 | 0 | 112 | T213 V214 V215 W221 | T213-S217 WeakPolarHBondContact O-CB 3.46Å; T213-S217 PolarHBondContact O-N 3.37Å; T213-S217 PolarHBondContact O-OG 2.72Å; V214-S217 PolarHBondContact O-N 2.88Å; V215-S217 PolarHBondContact O-N 2.87Å; S217-W221 WeakPolarHBondContact O-CB 3.43Å; S217-W221 PolarHBondContact O-N 2.7Å |
| 218 | F | 92.3 | Very high | 85.5 | Confident | 127 Ų | 127 | 98.1 Ų | 98.1 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.2 | -43.2 | 176.7 | -175.9 | -105 | 0 | 0 | 0 | 112.1 | V214 V215 I216 W221 I222 | V214-F218 WeakPolarHBondContact O-CB 3.42Å; V214-F218 PolarHBondContact O-N 2.9Å; V215-F218 PolarHBondContact O-N 3.33Å; I216-F218 VanDerWaalsContact C-N 3.28Å; I216-F218 PolarHBondContact O-N 2.69Å; F218-W221 WeakPolarHBondContact O-CB 3.45Å; F218-W221 PolarHBondContact O-N 2.89Å; F218-I222 HydrophobicContact CD1-CD1 3.77Å; F218-I222 HydrophobicContact CE1-CD1 3.23Å; F218-I222 HydrophobicContact CE1-CG1 4.34Å; F218-I222 HydrophobicContact CE2-CD1 4.21Å; F218-I222 HydrophobicContact CG-CD1 4.46Å; F218-I222 HydrophobicContact CZ-CD1 3.49Å; F218-I222 VanDerWaalsContact CZ-CD1 3.49Å; F218-I222 HydrophobicContact CZ-CG1 4.38Å; F218-I222 WeakPolarHBondContact O-CG1 3.44Å; F218-I222 PolarHBondContact O-N 3.27Å |
| 219 | L | 90.4 | Very high | 83.9 | Confident | 91 Ų | 91 | 103.8 Ų | 103.8 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 175.5 | -72.5 | 173.2 | 0 | 0 | 0 | 111.6 | V215 I216 W221 I222 T223 | V215-L219 HydrophobicContact CG1-CD1 4.05Å; V215-L219 HydrophobicContact CG1-CG 4.47Å; V215-L219 WeakPolarHBondContact O-CG 3.35Å; V215-L219 PolarHBondContact O-N 3.33Å; I216-L219 PolarHBondContact O-N 2.9Å; L219-W221 VanDerWaalsContact C-N 3.32Å; L219-W221 PolarHBondContact O-N 3.2Å; L219-I222 PolarHBondContact O-N 3.49Å; L219-T223 WeakPolarHBondContact O-CB 3.37Å; L219-T223 WeakPolarHBondContact O-CG2 3.36Å; L219-T223 PolarHBondContact O-N 3.48Å; L219-T223 PolarHBondContact O-OG1 2.97Å |
| 220 | L | 89.1 | Confident | 82.4 | Confident | 73 Ų | 73 | 104.9 Ų | 104.9 | 38% | 0.382 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.5 | -39.7 | 175.1 | -68.1 | 173.7 | 0 | 0 | 0 | 111.2 | I216 I222 Q224 R225 | I216-L220 HydrophobicContact CG2-CD1 3.76Å; I216-L220 HydrophobicContact CG2-CG 4.16Å; I216-L220 WeakPolarHBondContact O-CB 3.22Å; I216-L220 VanDerWaalsContact O-CG 3.27Å; I216-L220 WeakPolarHBondContact O-CG 3.34Å; I216-L220 PolarHBondContact O-N 2.84Å; L220-I222 PolarHBondContact O-N 3.28Å; L220-Q224 HydrophobicContact CD2-CG 4.27Å; L220-Q224 WeakPolarHBondContact O-CA 3.38Å; L220-Q224 VanDerWaalsContact O-CB 3.27Å; L220-Q224 WeakPolarHBondContact O-CB 3.27Å; L220-Q224 PolarHBondContact O-N 3.27Å; L220-R225 PolarHBondContact O-N 3.37Å |
| 221 | W | 84.4 | Confident | 80.4 | Confident | 128 Ų | 128 | 113.7 Ų | 113.7 | 49% | 0.485 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.6 | -47.6 | 173.9 | -176.5 | -72.7 | 0 | 0 | 0 | 112.1 | S217 F218 L219 R225 R226 | S217-W221 WeakPolarHBondContact O-CB 3.43Å; S217-W221 PolarHBondContact O-N 2.7Å; F218-W221 WeakPolarHBondContact O-CB 3.45Å; F218-W221 PolarHBondContact O-N 2.89Å; L219-W221 VanDerWaalsContact C-N 3.32Å; L219-W221 PolarHBondContact O-N 3.2Å; W221-R225 VanDerWaalsContact O-CB 3.3Å; W221-R225 WeakPolarHBondContact O-CB 3.3Å; W221-R225 PolarHBondContact O-N 3.25Å; W221-R226 PolarHBondContact O-N 2.84Å |
| 222 | I | 84.2 | Confident | 79.6 | Confident | 62 Ų | 62 | 116.6 Ų | 116.6 | 32% | 0.318 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.8 | -45.8 | -179.2 | -71.1 | 175.7 | 0 | 0 | 0 | 111.2 | F218 L219 L220 R226 | F218-I222 HydrophobicContact CD1-CD1 3.77Å; F218-I222 HydrophobicContact CE1-CD1 3.23Å; F218-I222 HydrophobicContact CE1-CG1 4.34Å; F218-I222 HydrophobicContact CE2-CD1 4.21Å; F218-I222 HydrophobicContact CG-CD1 4.46Å; F218-I222 HydrophobicContact CZ-CD1 3.49Å; F218-I222 VanDerWaalsContact CZ-CD1 3.49Å; F218-I222 HydrophobicContact CZ-CG1 4.38Å; F218-I222 WeakPolarHBondContact O-CG1 3.44Å; F218-I222 PolarHBondContact O-N 3.27Å; L219-I222 PolarHBondContact O-N 3.49Å; L220-I222 PolarHBondContact O-N 3.28Å; I222-R226 WeakPolarHBondContact O-CB 3.27Å |
| 223 | T | 82.9 | Confident | 78.8 | Confident | 78 Ų | 78 | 120.1 Ų | 120.1 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -84.7 | -41.8 | -169.8 | 56.1 | 0 | 0 | 0 | 0 | 113 | L219 | L219-T223 WeakPolarHBondContact O-CB 3.37Å; L219-T223 WeakPolarHBondContact O-CG2 3.36Å; L219-T223 PolarHBondContact O-N 3.48Å; L219-T223 PolarHBondContact O-OG1 2.97Å |
| 224 | Q | 76.9 | Confident | 77.9 | Confident | 131 Ų | 131 | 122.1 Ų | 122.1 | 61% | 0.612 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -45.8 | -174.7 | -58 | -174.7 | -12.4 | 0 | 0 | 112.1 | L220 A228 | L220-Q224 HydrophobicContact CD2-CG 4.27Å; L220-Q224 WeakPolarHBondContact O-CA 3.38Å; L220-Q224 VanDerWaalsContact O-CB 3.27Å; L220-Q224 WeakPolarHBondContact O-CB 3.27Å; L220-Q224 PolarHBondContact O-N 3.27Å; Q224-A228 PolarHBondContact O-N 3.34Å |
| 225 | R | 64.3 | Low | 76.8 | Confident | 161 Ų | 161 | 123.2 Ų | 123.2 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -77.2 | -35.7 | -173 | -160.6 | 178.7 | 179.5 | 159.4 | 2.4 | 113.6 | L220 W221 K227 A228 | L220-R225 PolarHBondContact O-N 3.37Å; W221-R225 VanDerWaalsContact O-CB 3.3Å; W221-R225 WeakPolarHBondContact O-CB 3.3Å; W221-R225 PolarHBondContact O-N 3.25Å; R225-K227 PolarHBondContact O-N 3.34Å; R225-A228 PolarHBondContact O-N 3.34Å |
| 226 | R | 61.2 | Low | 75.6 | Confident | 183 Ų | 183 | 125.6 Ų | 125.6 | 69% | 0.691 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -71 | -15.2 | 176.4 | -65.8 | -170.8 | 178.1 | -163.2 | 0.7 | 114.1 | W221 I222 | W221-R226 PolarHBondContact O-N 2.84Å; I222-R226 WeakPolarHBondContact O-CB 3.27Å |
| 227 | K | 59.4 | Low | 74.4 | Confident | 179 Ų | 179 | 127.5 Ų | 127.5 | 78% | 0.778 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -99.1 | -3.7 | 177 | -67 | -159.8 | 178 | -171.2 | 0 | 113.8 | R225 K229 | R225-K227 PolarHBondContact O-N 3.34Å; K227-K229 PolarHBondContact O-N 3.43Å |
| 228 | A | 61.6 | Low | 73.1 | Confident | 72 Ų | 72 | 131.9 Ų | 131.9 | 60% | 0.595 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -70.3 | 115.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q224 R225 S230 | Q224-A228 PolarHBondContact O-N 3.34Å; R225-A228 PolarHBondContact O-N 3.34Å; A228-S230 PolarHBondContact O-N 3.49Å |
| 229 | K | 61.7 | Low | 71.7 | Confident | 201 Ų | 201 | 132.3 Ų | 132.3 | 87% | 0.874 | 65% | 0.646 | S | S | * | * | trans | -59.5 | 133.2 | 169.3 | -75.8 | -178.1 | 175.9 | -179.4 | 0 | 108.2 | K227 L231 | K227-K229 PolarHBondContact O-N 3.43Å; K229-L231 PolarHBondContact O-N 3.28Å | ||
| 230 | S | 63.1 | Low | 70.1 | Confident | 118 Ų | 118 | 135.8 Ų | 135.8 | 83% | 0.825 | 66% | 0.66 | S | S | * | * | trans | -63.1 | 128.1 | 164.9 | 63.1 | 0 | 0 | 0 | 0 | 107.6 | A228 | A228-S230 PolarHBondContact O-N 3.49Š| ||
| 231 | L | 52.7 | Low | 68.4 | Low | 243 Ų | 243 | 141.5 Ų | 141.5 | 100% | 1.272 | 69% | 0.685 | S | S | * | * | trans | -72.4 | 0 | 169.7 | -151.5 | 131.3 | 0 | 0 | 0 | 109.4 | K229 | K229-L231 PolarHBondContact O-N 3.28Š|
Retrieved 231 of 231 residues in 166.4 ms
(Link to these results)