| 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 | 42.5 | Very low | 58.1 | Low | 218 Ų | 218 | 113.5 Ų | 113.5 | 100% | 1.074 | 62% | 0.615 | S | S | * | * | 0 | 63.4 | 0 | -62.6 | 165.9 | 70.1 | 0 | 0 | 111.5 | |||||
| 2 | K | 49.2 | Very low | 58.3 | Low | 197 Ų | 197 | 112.8 Ų | 112.8 | 86% | 0.857 | 61% | 0.609 | S | S | * | * | trans | -101.6 | -23.3 | -178.6 | -113.3 | 169.3 | 175.5 | 177.9 | 0 | 113.7 | ||||
| 3 | G | 53.1 | Low | 58.8 | Low | 47 Ų | 47 | 109.8 Ų | 109.8 | 49% | 0.485 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -74.7 | -29.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | R5 A6 L7 | G3-R5 VanDerWaalsContact C-N 3.31Å; G3-R5 PolarHBondContact O-N 3.04Å; G3-A6 PolarHBondContact O-N 2.71Å; G3-L7 PolarHBondContact O-N 2.85Å; G3-L7 VanDerWaalsContact O-N 3.17Å |
| 4 | S | 56.1 | Low | 59 | Low | 70 Ų | 70 | 106.4 Ų | 106.4 | 49% | 0.49 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.6 | -28.7 | -177.8 | -58 | 0 | 0 | 0 | 0 | 113.7 | L8 | S4-L8 VanDerWaalsContact O-CB 3.26Å; S4-L8 WeakPolarHBondContact O-CB 3.48Å; S4-L8 WeakPolarHBondContact O-CD1 3.46Å; S4-L8 WeakPolarHBondContact O-CG 3.5Å; S4-L8 PolarHBondContact O-N 2.97Å |
| 5 | R | 55.7 | Low | 59.2 | Low | 194 Ų | 194 | 107.3 Ų | 107.3 | 73% | 0.732 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -77.6 | -37.2 | -178.4 | -62.5 | 179 | 85 | 173.9 | 4.6 | 111.8 | G3 L9 | G3-R5 VanDerWaalsContact C-N 3.31Å; G3-R5 PolarHBondContact O-N 3.04Å; R5-L9 WeakPolarHBondContact O-CB 3.45Å; R5-L9 WeakPolarHBondContact O-CD1 3.37Å; R5-L9 VanDerWaalsContact O-CG 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.38Å; R5-L9 PolarHBondContact O-N 3.26Å |
| 6 | A | 61.2 | Low | 59.1 | Low | 58 Ų | 58 | 104.7 Ų | 104.7 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.1 | -45.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G3 L8 L9 V10 | G3-A6 PolarHBondContact O-N 2.71Å; A6-L8 PolarHBondContact O-N 3.3Å; A6-L9 PolarHBondContact O-N 3.11Å; A6-V10 VanDerWaalsContact O-CG2 3.31Å; A6-V10 WeakPolarHBondContact O-CG2 3.39Å; A6-V10 PolarHBondContact O-N 2.69Å |
| 7 | L | 60.8 | Low | 58.9 | Low | 125 Ų | 125 | 103.2 Ų | 103.2 | 65% | 0.654 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.6 | -42.1 | 175.2 | -79.7 | 162 | 0 | 0 | 0 | 112.5 | G3 V10 A11 | G3-L7 PolarHBondContact O-N 2.85Å; G3-L7 VanDerWaalsContact O-N 3.17Å; L7-V10 PolarHBondContact O-N 3.12Å; L7-A11 VanDerWaalsContact O-CB 3.28Å; L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.11Å |
| 8 | L | 65.5 | Low | 58.6 | Low | 117 Ų | 117 | 101 Ų | 101 | 61% | 0.613 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.9 | -41.4 | 174.2 | -88.8 | 161.7 | 0 | 0 | 0 | 111.8 | S4 A6 A11 L12 | S4-L8 VanDerWaalsContact O-CB 3.26Å; S4-L8 WeakPolarHBondContact O-CB 3.48Å; S4-L8 WeakPolarHBondContact O-CD1 3.46Å; S4-L8 WeakPolarHBondContact O-CG 3.5Å; S4-L8 PolarHBondContact O-N 2.97Å; A6-L8 PolarHBondContact O-N 3.3Å; L8-A11 PolarHBondContact O-N 3.47Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.23Å |
| 9 | L | 67.1 | Low | 58.2 | Low | 110 Ų | 110 | 104.9 Ų | 104.9 | 58% | 0.576 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.1 | -39.4 | 177.9 | -76.4 | 166.5 | 0 | 0 | 0 | 112.1 | R5 A6 L12 T13 | R5-L9 WeakPolarHBondContact O-CB 3.45Å; R5-L9 WeakPolarHBondContact O-CD1 3.37Å; R5-L9 VanDerWaalsContact O-CG 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.38Å; R5-L9 PolarHBondContact O-N 3.26Å; A6-L9 PolarHBondContact O-N 3.11Å; L9-L12 PolarHBondContact O-N 3.21Å; L9-T13 VanDerWaalsContact O-CB 3.26Å; L9-T13 WeakPolarHBondContact O-CB 3.45Å; L9-T13 PolarHBondContact O-N 3.39Å; L9-T13 PolarHBondContact O-OG1 3.32Å |
| 10 | V | 65.3 | Low | 57.8 | Low | 56 Ų | 56 | 107.2 Ų | 107.2 | 34% | 0.339 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.7 | -46.2 | 174.7 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | A6 L7 L12 T13 L14 L66 | A6-V10 VanDerWaalsContact O-CG2 3.31Å; A6-V10 WeakPolarHBondContact O-CG2 3.39Å; A6-V10 PolarHBondContact O-N 2.69Å; L7-V10 PolarHBondContact O-N 3.12Å; V10-L12 PolarHBondContact O-N 2.92Å; V10-T13 PolarHBondContact O-N 3.49Å; V10-L14 HydrophobicContact CG1-CD1 3.94Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 WeakPolarHBondContact O-CD1 3.39Å; V10-L14 PolarHBondContact O-N 2.99Å; V10-L66 HydrophobicContact CG2-CD1 3.9Å |
| 11 | A | 62.5 | Low | 57.3 | Low | 57 Ų | 57 | 103.6 Ų | 103.6 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.6 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L7 L8 L14 F15 | L7-A11 VanDerWaalsContact O-CB 3.28Å; L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.11Å; L8-A11 PolarHBondContact O-N 3.47Å; A11-L14 PolarHBondContact O-N 3Å; A11-F15 WeakPolarHBondContact O-CB 3.21Å; A11-F15 PolarHBondContact O-N 3.49Å |
| 12 | L | 60.8 | Low | 57.6 | Low | 104 Ų | 104 | 100.1 Ų | 100.1 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 177.1 | -152.2 | 88.9 | 0 | 0 | 0 | 111.1 | L8 L9 V10 F15 C16 | L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.23Å; L9-L12 PolarHBondContact O-N 3.21Å; V10-L12 PolarHBondContact O-N 2.92Å; L12-F15 PolarHBondContact O-N 3.17Å; L12-C16 VanDerWaalsContact O-CB 3.27Å; L12-C16 WeakPolarHBondContact O-CB 3.3Å; L12-C16 PolarHBondContact O-N 3.42Å; L12-C16 PolarHBondContact O-SG 2.95Å |
| 13 | T | 64.9 | Low | 57.8 | Low | 75 Ų | 75 | 92.3 Ų | 92.3 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -48.1 | 175.6 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | L9 V10 F15 C16 I17 | L9-T13 VanDerWaalsContact O-CB 3.26Å; L9-T13 WeakPolarHBondContact O-CB 3.45Å; L9-T13 PolarHBondContact O-N 3.39Å; L9-T13 PolarHBondContact O-OG1 3.32Å; V10-T13 PolarHBondContact O-N 3.49Å; T13-F15 VanDerWaalsContact C-N 3.29Å; T13-F15 PolarHBondContact O-N 3.02Å; T13-C16 PolarHBondContact O-N 3.39Å; T13-I17 HydrophobicContact CG2-CD1 3.66Å; T13-I17 HydrophobicContact CG2-CG1 4.45Å; T13-I17 WeakPolarHBondContact O-CB 2.73Å; T13-I17 WeakPolarHBondContact O-CD1 3.26Å; T13-I17 WeakPolarHBondContact O-CG1 3.45Å; T13-I17 PolarHBondContact O-N 3.33Å |
| 14 | L | 61.7 | Low | 57.8 | Low | 61 Ų | 61 | 98.8 Ų | 98.8 | 32% | 0.319 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -54.3 | -47.2 | 172.5 | -104.9 | 83.6 | 0 | 0 | 0 | 111.3 | V10 A11 I17 C18 F30 L34 | V10-L14 HydrophobicContact CG1-CD1 3.94Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 WeakPolarHBondContact O-CD1 3.39Å; V10-L14 PolarHBondContact O-N 2.99Å; A11-L14 PolarHBondContact O-N 3Å; L14-I17 PolarHBondContact O-N 3.02Å; L14-C18 WeakPolarHBondContact O-CB 3.23Å; L14-C18 PolarHBondContact O-N 3.49Å; L14-C18 PolarHBondContact O-SG 3.29Å; L14-F30 HydrophobicContact CB-CZ 4.39Å; L14-F30 HydrophobicContact CD2-CZ 3.89Å; L14-F30 HydrophobicContact CG-CE2 4.07Å; L14-F30 HydrophobicContact CG-CZ 3.71Å; L14-L34 HydrophobicContact CD1-CD2 4.33Å; L14-L34 HydrophobicContact CD2-CD1 4.35Å; L14-L34 HydrophobicContact CD2-CD2 4.2Å; L14-L34 HydrophobicContact CG-CD2 4.42Å |
| 15 | F | 61 | Low | 57.9 | Low | 120 Ų | 120 | 101.7 Ų | 101.7 | 53% | 0.526 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.6 | -35.4 | -176 | -164.6 | -116.1 | 0 | 0 | 0 | 113.1 | A11 L12 T13 R19 | A11-F15 WeakPolarHBondContact O-CB 3.21Å; A11-F15 PolarHBondContact O-N 3.49Å; L12-F15 PolarHBondContact O-N 3.17Å; T13-F15 VanDerWaalsContact C-N 3.29Å; T13-F15 PolarHBondContact O-N 3.02Å; F15-R19 WeakPolarHBondContact O-CB 3.49Å; F15-R19 PolarHBondContact O-N 3.16Å |
| 16 | C | 58.1 | Low | 58.2 | Low | 66 Ų | 66 | 95 Ų | 95 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71 | -36.9 | 174.6 | -73.9 | 0 | 0 | 0 | 0 | 112.1 | L12 T13 L20 | L12-C16 VanDerWaalsContact O-CB 3.27Å; L12-C16 WeakPolarHBondContact O-CB 3.3Å; L12-C16 PolarHBondContact O-N 3.42Å; L12-C16 PolarHBondContact O-SG 2.95Å; T13-C16 PolarHBondContact O-N 3.39Å; C16-L20 PolarHBondContact O-N 3.02Å |
| 17 | I | 56.4 | Low | 58.6 | Low | 79 Ų | 79 | 95 Ų | 95 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.1 | -44.5 | 176.6 | -63.2 | 164 | 0 | 0 | 0 | 110.4 | T13 L14 R19 L20 A21 F30 | T13-I17 HydrophobicContact CG2-CD1 3.66Å; T13-I17 HydrophobicContact CG2-CG1 4.45Å; T13-I17 WeakPolarHBondContact O-CB 2.73Å; T13-I17 WeakPolarHBondContact O-CD1 3.26Å; T13-I17 WeakPolarHBondContact O-CG1 3.45Å; T13-I17 PolarHBondContact O-N 3.33Å; L14-I17 PolarHBondContact O-N 3.02Å; I17-R19 VanDerWaalsContact C-N 3.29Å; I17-R19 PolarHBondContact O-N 3.36Å; I17-L20 PolarHBondContact O-N 3.29Å; I17-A21 WeakPolarHBondContact O-CB 3.28Å; I17-F30 HydrophobicContact CG2-CD2 4.11Å; I17-F30 HydrophobicContact CG2-CE2 4.42Å |
| 18 | C | 53.3 | Low | 59.3 | Low | 64 Ų | 64 | 96.3 Ų | 96.3 | 43% | 0.432 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -33.7 | 177.1 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | L14 F30 | L14-C18 WeakPolarHBondContact O-CB 3.23Å; L14-C18 PolarHBondContact O-N 3.49Å; L14-C18 PolarHBondContact O-SG 3.29Å; C18-F30 WeakPolarHBondContact SG-CE1 3.22Å; C18-F30 WeakPolarHBondContact SG-CZ 3.16Å |
| 19 | R | 51.2 | Low | 60.1 | Low | 175 Ų | 175 | 93 Ų | 93 | 66% | 0.66 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -86 | -22.2 | -175.6 | -151.5 | -163.7 | -73.3 | -152.9 | -6.8 | 113.9 | F15 I17 A21 | F15-R19 WeakPolarHBondContact O-CB 3.49Å; F15-R19 PolarHBondContact O-N 3.16Å; I17-R19 VanDerWaalsContact C-N 3.29Å; I17-R19 PolarHBondContact O-N 3.36Å; R19-A21 VanDerWaalsContact C-N 3.31Å |
| 20 | L | 48.9 | Very low | 60.7 | Low | 151 Ų | 151 | 88.9 Ų | 88.9 | 79% | 0.791 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -79.5 | -18.5 | 174 | -108.3 | 100.1 | 0 | 0 | 0 | 112.9 | C16 I17 T22 | C16-L20 PolarHBondContact O-N 3.02Å; I17-L20 PolarHBondContact O-N 3.29Å; L20-T22 PolarHBondContact O-N 3.48Å |
| 21 | A | 47.3 | Very low | 61.5 | Low | 32 Ų | 32 | 86.7 Ų | 86.7 | 26% | 0.264 | 47% | 0.469 | S | S | . | . | trans | -90.6 | 69.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112 | I17 R19 G23 C26 | I17-A21 WeakPolarHBondContact O-CB 3.28Å; R19-A21 VanDerWaalsContact C-N 3.31Å; A21-G23 PolarHBondContact O-N 2.96Å; A21-G23 VanDerWaalsContact O-N 3.11Å; A21-C26 HydrophobicContact CB-CB 3.19Å | ||
| 22 | T | 50.1 | Low | 62.6 | Low | 145 Ų | 145 | 87.5 Ų | 87.5 | 89% | 0.89 | 47% | 0.465 | S | S | * | . | trans | -79.7 | 28.2 | 174.1 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | L20 | L20-T22 PolarHBondContact O-N 3.48Š| ||
| 23 | G | 52.1 | Low | 64 | Low | 33 Ų | 33 | 84.1 Ų | 84.1 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -132.4 | 137.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A21 D25 C26 | A21-G23 PolarHBondContact O-N 2.96Å; A21-G23 VanDerWaalsContact O-N 3.11Å; G23-D25 PolarHBondContact O-N 3.06Å; G23-C26 VanDerWaalsContact O-CB 3.29Å; G23-C26 WeakPolarHBondContact O-CB 3.46Å; G23-C26 PolarHBondContact O-N 2.92Å |
| 24 | E | 53.6 | Low | 65.1 | Low | 183 Ų | 183 | 81.6 Ų | 81.6 | 86% | 0.855 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -49.6 | -40.5 | -177.5 | -158.9 | 163.7 | 160.1 | 0 | 0 | 112.6 | C26 N27 | E24-C26 PolarHBondContact O-N 3.39Å; E24-N27 PolarHBondContact O-N 3.11Å; E24-N27 VanDerWaalsContact O-N 3.13Å |
| 25 | D | 58.3 | Low | 66.4 | Low | 131 Ų | 131 | 83.5 Ų | 83.5 | 70% | 0.701 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -60.5 | -25.9 | 176.6 | -61.2 | -30.4 | 0 | 0 | 0 | 114.6 | G23 N27 F29 | G23-D25 PolarHBondContact O-N 3.06Å; D25-N27 VanDerWaalsContact C-N 3.34Å; D25-F29 WeakPolarHBondContact O-CB 3.35Å; D25-F29 PolarHBondContact O-N 3.04Å |
| 26 | C | 62.9 | Low | 67.8 | Low | 52 Ų | 52 | 78.8 Ų | 78.8 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -78.1 | -24.8 | -178.8 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | A21 G23 E24 F30 | A21-C26 HydrophobicContact CB-CB 3.19Å; G23-C26 VanDerWaalsContact O-CB 3.29Å; G23-C26 WeakPolarHBondContact O-CB 3.46Å; G23-C26 PolarHBondContact O-N 2.92Å; E24-C26 PolarHBondContact O-N 3.39Å; C26-F30 WeakPolarHBondContact O-CB 3.19Å; C26-F30 PolarHBondContact O-N 3.09Å |
| 27 | N | 68.2 | Low | 69.4 | Low | 60 Ų | 60 | 76.1 Ų | 76.1 | 32% | 0.321 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -72.4 | -49.7 | 176.9 | -150.4 | -29.7 | 0 | 0 | 0 | 109.3 | E24 D25 F29 F30 M31 Q92 | E24-N27 PolarHBondContact O-N 3.11Å; E24-N27 VanDerWaalsContact O-N 3.13Å; D25-N27 VanDerWaalsContact C-N 3.34Å; N27-F29 PolarHBondContact O-N 2.79Å; N27-F30 PolarHBondContact O-N 3.37Å; N27-M31 WeakPolarHBondContact O-CB 2.84Å; N27-M31 WeakPolarHBondContact O-CG 3.4Å; N27-M31 PolarHBondContact O-N 3.2Å; N27-Q92 VanDerWaalsContact ND2-CD 3.27Å; N27-Q92 PolarHBondContact ND2-NE2 3.36Å; N27-Q92 VanDerWaalsContact ND2-NE2 3.19Å; N27-Q92 PolarHBondContact ND2-OE1 3.48Å; N27-Q92 PolarHBondContact OD1-NE2 2.89Å |
| 28 | E | 77.3 | Confident | 71 | Confident | 151 Ų | 151 | 73.3 Ų | 73.3 | 71% | 0.706 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57.2 | -49.3 | 176.5 | -171.7 | 179.3 | -174.2 | 0 | 0 | 112.2 | F30 M31 D32 | E28-F30 VanDerWaalsContact C-N 3.34Å; E28-F30 PolarHBondContact O-N 3.19Å; E28-M31 PolarHBondContact O-N 3.43Å; E28-D32 WeakPolarHBondContact O-CB 3.36Å; E28-D32 PolarHBondContact O-N 3.17Å |
| 29 | F | 82.4 | Confident | 72.8 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56.4 | -47.3 | 175.4 | 162.2 | -99.9 | 0 | 0 | 0 | 112.4 | D25 N27 M31 D32 F33 P49 L50 Y53 | D25-F29 WeakPolarHBondContact O-CB 3.35Å; D25-F29 PolarHBondContact O-N 3.04Å; N27-F29 PolarHBondContact O-N 2.79Å; F29-M31 VanDerWaalsContact C-N 3.3Å; F29-M31 PolarHBondContact O-N 3.11Å; F29-D32 PolarHBondContact O-N 2.92Å; F29-F33 VanDerWaalsContact O-CB 3.31Å; F29-F33 WeakPolarHBondContact O-CB 3.47Å; F29-F33 PolarHBondContact O-N 2.88Å; F29-P49 HydrophobicContact CD2-CB 4.32Å; F29-P49 HydrophobicContact CE2-CB 4.07Å; F29-P49 VanDerWaalsContact CE2-O 3.28Å; F29-P49 WeakPolarHBondContact CE2-O 3.11Å; F29-L50 HydrophobicContact CZ-CD2 4.3Å; F29-Y53 AromaticContact CE2-CE2 3.85Å; F29-Y53 HydrophobicContact CE2-CE2 3.85Å; F29-Y53 HydrophobicContact CZ-CE2 4.02Å |
| 30 | F | 78.9 | Confident | 74.7 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 10% | 0.101 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.4 | -37 | -176.4 | 177.2 | -105.8 | 0 | 0 | 0 | 111.5 | L14 I17 C18 C26 N27 E28 F33 L34 | L14-F30 HydrophobicContact CB-CZ 4.39Å; L14-F30 HydrophobicContact CD2-CZ 3.89Å; L14-F30 HydrophobicContact CG-CE2 4.07Å; L14-F30 HydrophobicContact CG-CZ 3.71Å; I17-F30 HydrophobicContact CG2-CD2 4.11Å; I17-F30 HydrophobicContact CG2-CE2 4.42Å; C18-F30 WeakPolarHBondContact SG-CE1 3.22Å; C18-F30 WeakPolarHBondContact SG-CZ 3.16Å; C26-F30 WeakPolarHBondContact O-CB 3.19Å; C26-F30 PolarHBondContact O-N 3.09Å; N27-F30 PolarHBondContact O-N 3.37Å; E28-F30 VanDerWaalsContact C-N 3.34Å; E28-F30 PolarHBondContact O-N 3.19Å; F30-F33 PolarHBondContact O-N 3.45Å; F30-L34 HydrophobicContact CD1-CD1 3.92Å; F30-L34 HydrophobicContact CD1-CG 4.4Å; F30-L34 HydrophobicContact CE1-CD1 3.28Å; F30-L34 HydrophobicContact CE1-CG 4.04Å; F30-L34 HydrophobicContact CE2-CD1 4.22Å; F30-L34 HydrophobicContact CE2-CD2 4.4Å; F30-L34 HydrophobicContact CE2-CG 4.18Å; F30-L34 HydrophobicContact CZ-CD1 3.47Å; F30-L34 VanDerWaalsContact CZ-CD1 3.47Å; F30-L34 HydrophobicContact CZ-CD2 4.27Å; F30-L34 HydrophobicContact CZ-CG 3.93Å; F30-L34 WeakPolarHBondContact O-CB 3.21Å; F30-L34 WeakPolarHBondContact O-CG 3.34Å; F30-L34 PolarHBondContact O-N 3.09Å |
| 31 | M | 81.9 | Confident | 76.7 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 4% | 0.044 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.5 | -40.1 | 179 | -61.4 | -55.4 | -90.5 | 0 | 0 | 111.6 | N27 E28 F29 F33 L34 Q35 L85 V88 L89 | N27-M31 WeakPolarHBondContact O-CB 2.84Å; N27-M31 WeakPolarHBondContact O-CG 3.4Å; N27-M31 PolarHBondContact O-N 3.2Å; E28-M31 PolarHBondContact O-N 3.43Å; F29-M31 VanDerWaalsContact C-N 3.3Å; F29-M31 PolarHBondContact O-N 3.11Å; M31-F33 VanDerWaalsContact C-N 3.35Å; M31-L34 PolarHBondContact O-N 3.4Å; M31-L34 HydrophobicContact SD-CD1 4.41Å; M31-Q35 VanDerWaalsContact O-CB 3.28Å; M31-Q35 WeakPolarHBondContact O-CB 3.35Å; M31-Q35 PolarHBondContact O-N 3.41Å; M31-L85 HydrophobicContact CE-CD1 3.4Å; M31-L85 HydrophobicContact CE-CG 3.97Å; M31-L85 HydrophobicContact SD-CD1 3.73Å; M31-V88 HydrophobicContact CE-CB 4.08Å; M31-V88 HydrophobicContact CE-CG1 3.81Å; M31-L89 HydrophobicContact CB-CD2 3.87Å; M31-L89 HydrophobicContact CE-CB 4.4Å; M31-L89 HydrophobicContact CE-CD1 4.12Å; M31-L89 HydrophobicContact CE-CD2 3.3Å; M31-L89 HydrophobicContact CE-CG 3.29Å; M31-L89 HydrophobicContact CG-CD2 3.58Å; M31-L89 HydrophobicContact SD-CD2 4.31Å |
| 32 | D | 85.9 | Confident | 78.7 | Confident | 75 Ų | 75 | 61.3 Ų | 61.3 | 40% | 0.401 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 173 | -170.8 | 43.5 | 0 | 0 | 0 | 111.8 | E28 F29 Q35 T36 | E28-D32 WeakPolarHBondContact O-CB 3.36Å; E28-D32 PolarHBondContact O-N 3.17Å; F29-D32 PolarHBondContact O-N 2.92Å; D32-Q35 PolarHBondContact O-N 2.85Å; D32-T36 WeakPolarHBondContact O-CB 3.39Å; D32-T36 PolarHBondContact O-N 3.38Å; D32-T36 PolarHBondContact O-OG1 2.95Å |
| 33 | F | 89.3 | Confident | 80.7 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.3 | -50.6 | 171.4 | 173.7 | -95.5 | 0 | 0 | 0 | 112.2 | F29 F30 M31 Q35 T36 L37 L45 P49 L50 M63 | F29-F33 VanDerWaalsContact O-CB 3.31Å; F29-F33 WeakPolarHBondContact O-CB 3.47Å; F29-F33 PolarHBondContact O-N 2.88Å; F30-F33 PolarHBondContact O-N 3.45Å; M31-F33 VanDerWaalsContact C-N 3.35Å; F33-Q35 PolarHBondContact O-N 3.29Å; F33-T36 PolarHBondContact O-N 2.93Å; F33-L37 HydrophobicContact CE1-CD2 4.08Å; F33-L37 HydrophobicContact CZ-CD2 4.32Å; F33-L37 WeakPolarHBondContact O-CB 3.46Å; F33-L37 PolarHBondContact O-N 3.47Å; F33-L45 HydrophobicContact CD2-CD2 3.69Å; F33-L45 HydrophobicContact CE2-CD2 3.82Å; F33-L45 HydrophobicContact CG-CD2 4.49Å; F33-P49 HydrophobicContact CB-CB 4.15Å; F33-P49 HydrophobicContact CB-CG 4.4Å; F33-L50 HydrophobicContact CD2-CD2 3.94Å; F33-L50 HydrophobicContact CD2-CG 4.2Å; F33-L50 HydrophobicContact CE2-CD1 4.12Å; F33-L50 HydrophobicContact CE2-CD2 4.03Å; F33-L50 HydrophobicContact CE2-CG 4.23Å; F33-M63 HydrophobicContact CE2-SD 4.4Å; F33-M63 HydrophobicContact CZ-SD 4.24Å |
| 34 | L | 88.5 | Confident | 82.7 | Confident | 22 Ų | 22 | 62.8 Ų | 62.8 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 180 | -75.9 | -175.6 | 0 | 0 | 0 | 112.2 | L14 F30 M31 L37 L38 L85 | L14-L34 HydrophobicContact CD1-CD2 4.33Å; L14-L34 HydrophobicContact CD2-CD1 4.35Å; L14-L34 HydrophobicContact CD2-CD2 4.2Å; L14-L34 HydrophobicContact CG-CD2 4.42Å; F30-L34 HydrophobicContact CD1-CD1 3.92Å; F30-L34 HydrophobicContact CD1-CG 4.4Å; F30-L34 HydrophobicContact CE1-CD1 3.28Å; F30-L34 HydrophobicContact CE1-CG 4.04Å; F30-L34 HydrophobicContact CE2-CD1 4.22Å; F30-L34 HydrophobicContact CE2-CD2 4.4Å; F30-L34 HydrophobicContact CE2-CG 4.18Å; F30-L34 HydrophobicContact CZ-CD1 3.47Å; F30-L34 VanDerWaalsContact CZ-CD1 3.47Å; F30-L34 HydrophobicContact CZ-CD2 4.27Å; F30-L34 HydrophobicContact CZ-CG 3.93Å; F30-L34 WeakPolarHBondContact O-CB 3.21Å; F30-L34 WeakPolarHBondContact O-CG 3.34Å; F30-L34 PolarHBondContact O-N 3.09Å; M31-L34 PolarHBondContact O-N 3.4Å; M31-L34 HydrophobicContact SD-CD1 4.41Å; L34-L37 PolarHBondContact O-N 3.49Å; L34-L38 WeakPolarHBondContact O-CB 3.36Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.28Å; L34-L38 PolarHBondContact O-N 3.32Å; L34-L85 HydrophobicContact CB-CD1 3.83Å; L34-L85 HydrophobicContact CB-CD2 4.42Å; L34-L85 HydrophobicContact CD1-CD1 3.68Å; L34-L85 HydrophobicContact CG-CD1 4.45Å |
| 35 | Q | 88.6 | Confident | 84.5 | Confident | 102 Ų | 102 | 54.1 Ų | 54.1 | 48% | 0.477 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.8 | -51.8 | 177.2 | -177.7 | 170 | -28 | 0 | 0 | 110.3 | M31 D32 F33 L37 L38 V39 L85 | M31-Q35 VanDerWaalsContact O-CB 3.28Å; M31-Q35 WeakPolarHBondContact O-CB 3.35Å; M31-Q35 PolarHBondContact O-N 3.41Å; D32-Q35 PolarHBondContact O-N 2.85Å; F33-Q35 PolarHBondContact O-N 3.29Å; Q35-L37 VanDerWaalsContact C-N 3.28Å; Q35-L37 PolarHBondContact O-N 2.83Å; Q35-L38 PolarHBondContact O-N 3.45Å; Q35-L38 VanDerWaalsContact O-N 3.12Å; Q35-V39 HydrophobicContact CG-CG2 4.19Å; Q35-V39 WeakPolarHBondContact O-CG2 3.37Å; Q35-V39 PolarHBondContact O-N 2.94Å; Q35-L85 HydrophobicContact CB-CD2 4.04Å |
| 36 | T | 91.5 | Very high | 86.1 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 13% | 0.129 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 178.2 | -52 | 0 | 0 | 0 | 0 | 111.4 | D32 F33 L38 G40 E44 L45 | D32-T36 WeakPolarHBondContact O-CB 3.39Å; D32-T36 PolarHBondContact O-N 3.38Å; D32-T36 PolarHBondContact O-OG1 2.95Å; F33-T36 PolarHBondContact O-N 2.93Å; T36-L38 PolarHBondContact O-N 3.47Å; T36-G40 CarbonylContact O-C 3.58Å; T36-G40 WeakPolarHBondContact O-CA 3.19Å; T36-G40 PolarHBondContact O-N 3.34Å; T36-E44 HydrophobicContact CG2-CB 3.84Å; T36-L45 HydrophobicContact CG2-CB 4.45Å; T36-L45 HydrophobicContact CG2-CD2 3.9Å; T36-L45 HydrophobicContact CG2-CG 3.83Å |
| 37 | L | 91.2 | Very high | 87.4 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 175.3 | -179.1 | 65 | 0 | 0 | 0 | 112.8 | F33 L34 Q35 L45 M63 L66 K67 I70 | F33-L37 HydrophobicContact CE1-CD2 4.08Å; F33-L37 HydrophobicContact CZ-CD2 4.32Å; F33-L37 WeakPolarHBondContact O-CB 3.46Å; F33-L37 PolarHBondContact O-N 3.47Å; L34-L37 PolarHBondContact O-N 3.49Å; Q35-L37 VanDerWaalsContact C-N 3.28Å; Q35-L37 PolarHBondContact O-N 2.83Å; L37-L45 HydrophobicContact CB-CD1 4.31Å; L37-L45 HydrophobicContact CB-CD2 4.26Å; L37-L45 HydrophobicContact CD1-CD1 3.78Å; L37-M63 HydrophobicContact CD1-CE 3.84Å; L37-L66 HydrophobicContact CD1-CD2 4.4Å; L37-L66 HydrophobicContact CD2-CD2 4.14Å; L37-K67 HydrophobicContact CD1-CD 4.36Å; L37-K67 WeakPolarHBondContact O-CD 3.36Å; L37-K67 WeakPolarHBondContact O-CE 3.46Å; L37-I70 HydrophobicContact CD1-CD1 3.8Å; L37-I70 HydrophobicContact CD2-CD1 3.8Å; L37-I70 HydrophobicContact CG-CD1 3.52Å |
| 38 | L | 90.1 | Very high | 88.5 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -75.8 | -48.6 | -179.8 | -73.5 | 172.2 | 0 | 0 | 0 | 111.8 | L34 Q35 T36 I70 K78 L81 I82 L85 | L34-L38 WeakPolarHBondContact O-CB 3.36Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.28Å; L34-L38 PolarHBondContact O-N 3.32Å; Q35-L38 PolarHBondContact O-N 3.45Å; Q35-L38 VanDerWaalsContact O-N 3.12Å; T36-L38 PolarHBondContact O-N 3.47Å; L38-I70 HydrophobicContact CD2-CG2 4.17Å; L38-K78 WeakPolarHBondContact O-CE 3.15Å; L38-K78 PolarHBondContact O-NZ 2.82Å; L38-L81 HydrophobicContact CD1-CB 4.4Å; L38-L81 HydrophobicContact CD2-CB 4.14Å; L38-L81 HydrophobicContact CD2-CD1 4.08Å; L38-I82 HydrophobicContact CD1-CG1 4.31Å; L38-L85 HydrophobicContact CD1-CD2 4.31Å |
| 39 | V | 89.9 | Confident | 89 | Confident | 88 Ų | 88 | 48.1 Ų | 48.1 | 53% | 0.533 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -108.7 | -20.6 | -170 | -64.1 | 0 | 0 | 0 | 0 | 115.2 | Q35 I82 | Q35-V39 HydrophobicContact CG-CG2 4.19Å; Q35-V39 WeakPolarHBondContact O-CG2 3.37Å; Q35-V39 PolarHBondContact O-N 2.94Å; V39-I82 HydrophobicContact CG1-CD1 3.64Å; V39-I82 HydrophobicContact CG1-CG1 4.31Å |
| 40 | G | 91.3 | Very high | 89.3 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -93.1 | -160.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T36 E44 K67 | T36-G40 CarbonylContact O-C 3.58Å; T36-G40 WeakPolarHBondContact O-CA 3.19Å; T36-G40 PolarHBondContact O-N 3.34Å; G40-E44 VanDerWaalsContact C-OE2 3.26Å; G40-E44 WeakPolarHBondContact CA-OE2 3.49Å; G40-K67 WeakPolarHBondContact O-CE 3.26Å; G40-K67 PolarHBondContact O-NZ 3.07Å |
| 41 | T | 91.6 | Very high | 89.8 | Confident | 52 Ų | 52 | 48 Ų | 48 | 32% | 0.319 | 27% | 0.267 | S | S | . | . | trans | -110.5 | 164.8 | 175.8 | 83.3 | 0 | 0 | 0 | 0 | 112.3 | E43 E44 L45 | T41-E43 WeakPolarHBondContact CB-OE2 3.42Å; T41-E43 PolarHBondContact O-N 2.88Å; T41-E43 PolarHBondContact OG1-N 3.42Å; T41-E43 PolarHBondContact OG1-OE2 3.46Å; T41-E44 PolarHBondContact N-OE2 2.96Å; T41-E44 PolarHBondContact O-N 2.72Å; T41-E44 PolarHBondContact OG1-N 2.74Å; T41-L45 PolarHBondContact O-N 2.83Å; T41-L45 VanDerWaalsContact O-N 3.1Å | ||
| 42 | P | 89.8 | Confident | 89.9 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 13% | 0.13 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56 | -39.1 | 170.1 | -25 | 36 | 0 | 0 | 0 | 112.9 | L45 Y46 K67 | P42-L45 WeakPolarHBondContact O-CB 3.31Å; P42-L45 PolarHBondContact O-N 3.44Å; P42-Y46 HydrophobicContact CB-CE2 3.93Å; P42-Y46 WeakPolarHBondContact O-CD2 3.32Å; P42-Y46 WeakPolarHBondContact O-CE2 3.42Å; P42-Y46 PolarHBondContact O-N 3.06Å; P42-Y46 VanDerWaalsContact O-N 3.13Å; P42-K67 HydrophobicContact CG-CB 4.19Å; P42-K67 HydrophobicContact CG-CG 3.99Å |
| 43 | E | 92.4 | Very high | 89.8 | Confident | 112 Ų | 112 | 56.8 Ų | 56.8 | 52% | 0.523 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 177.8 | -61.6 | 70.6 | -153 | 0 | 0 | 111.2 | T41 L45 Y46 E47 | T41-E43 WeakPolarHBondContact CB-OE2 3.42Å; T41-E43 PolarHBondContact O-N 2.88Å; T41-E43 PolarHBondContact OG1-N 3.42Å; T41-E43 PolarHBondContact OG1-OE2 3.46Å; E43-L45 VanDerWaalsContact C-N 3.26Å; E43-L45 PolarHBondContact O-N 3.12Å; E43-Y46 PolarHBondContact O-N 2.78Å; E43-E47 PolarHBondContact O-N 3.04Å |
| 44 | E | 93.5 | Very high | 89.7 | Confident | 98 Ų | 98 | 63.2 Ų | 63.2 | 46% | 0.458 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -33.5 | 175.9 | -67.6 | 173.9 | 151.4 | 0 | 0 | 112 | T36 G40 T41 G48 | T36-E44 HydrophobicContact CG2-CB 3.84Å; G40-E44 VanDerWaalsContact C-OE2 3.26Å; G40-E44 WeakPolarHBondContact CA-OE2 3.49Å; T41-E44 PolarHBondContact N-OE2 2.96Å; T41-E44 PolarHBondContact O-N 2.72Å; T41-E44 PolarHBondContact OG1-N 2.74Å; E44-G48 WeakPolarHBondContact O-CA 2.9Å; E44-G48 PolarHBondContact O-N 2.9Å |
| 45 | L | 90.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 171.7 | -81.3 | 166 | 0 | 0 | 0 | 111.9 | F33 T36 L37 T41 P42 E43 P49 L50 | F33-L45 HydrophobicContact CD2-CD2 3.69Å; F33-L45 HydrophobicContact CE2-CD2 3.82Å; F33-L45 HydrophobicContact CG-CD2 4.49Å; T36-L45 HydrophobicContact CG2-CB 4.45Å; T36-L45 HydrophobicContact CG2-CD2 3.9Å; T36-L45 HydrophobicContact CG2-CG 3.83Å; L37-L45 HydrophobicContact CB-CD1 4.31Å; L37-L45 HydrophobicContact CB-CD2 4.26Å; L37-L45 HydrophobicContact CD1-CD1 3.78Å; T41-L45 PolarHBondContact O-N 2.83Å; T41-L45 VanDerWaalsContact O-N 3.1Å; P42-L45 WeakPolarHBondContact O-CB 3.31Å; P42-L45 PolarHBondContact O-N 3.44Å; E43-L45 VanDerWaalsContact C-N 3.26Å; E43-L45 PolarHBondContact O-N 3.12Å; L45-P49 HydrophobicContact CD2-CG 4Å; L45-L50 HydrophobicContact CB-CD1 4.39Å; L45-L50 WeakPolarHBondContact O-CA 3.41Å; L45-L50 WeakPolarHBondContact O-CB 3.4Å; L45-L50 WeakPolarHBondContact O-CG 3.36Å; L45-L50 PolarHBondContact O-N 3.17Å |
| 46 | Y | 91 | Very high | 89.7 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 18% | 0.184 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.2 | -32.3 | -178.6 | -55.4 | -49.8 | 0 | 0 | 0 | 113.5 | P42 E43 L50 G51 V55 K60 M63 | P42-Y46 HydrophobicContact CB-CE2 3.93Å; P42-Y46 WeakPolarHBondContact O-CD2 3.32Å; P42-Y46 WeakPolarHBondContact O-CE2 3.42Å; P42-Y46 PolarHBondContact O-N 3.06Å; P42-Y46 VanDerWaalsContact O-N 3.13Å; E43-Y46 PolarHBondContact O-N 2.78Å; Y46-L50 HydrophobicContact CD1-CB 4.5Å; Y46-L50 HydrophobicContact CD1-CD1 3.97Å; Y46-L50 HydrophobicContact CE1-CD1 4.07Å; Y46-G51 WeakPolarHBondContact O-CA 3.33Å; Y46-G51 PolarHBondContact O-N 3.34Å; Y46-V55 HydrophobicContact CE1-CG1 4.28Å; Y46-K60 HydrophobicContact CE1-CG 3.9Å; Y46-K60 HydrophobicContact CE2-CG 4.28Å; Y46-K60 VanDerWaalsContact OH-CA 3.27Å; Y46-K60 WeakPolarHBondContact OH-CA 3.29Å; Y46-K60 PolarHBondContact OH-O 3.43Å; Y46-M63 WeakPolarHBondContact OH-CB 3.26Å |
| 47 | E | 91.9 | Very high | 89.8 | Confident | 169 Ų | 169 | 68.4 Ų | 68.4 | 79% | 0.79 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -81.8 | -28.9 | 176.5 | -68 | -175.8 | 170.6 | 0 | 0 | 112 | E43 | E43-E47 PolarHBondContact O-N 3.04Å |
| 48 | G | 90.1 | Very high | 89.7 | Confident | 41 Ų | 41 | 74.4 Ų | 74.4 | 42% | 0.423 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -110.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | E44 L50 G51 | E44-G48 WeakPolarHBondContact O-CA 2.9Å; E44-G48 PolarHBondContact O-N 2.9Å; G48-L50 VanDerWaalsContact C-N 3.26Å; G48-L50 PolarHBondContact O-N 3.09Å; G48-L50 VanDerWaalsContact O-N 3.15Å; G48-G51 PolarHBondContact O-N 3.45Å |
| 49 | P | 88.9 | Confident | 89.5 | Confident | 11 Ų | 11 | 75.2 Ų | 75.2 | 7% | 0.071 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -35.5 | -167.3 | 21 | -32.6 | 0 | 0 | 0 | 112.9 | F29 F33 L45 | F29-P49 HydrophobicContact CD2-CB 4.32Å; F29-P49 HydrophobicContact CE2-CB 4.07Å; F29-P49 VanDerWaalsContact CE2-O 3.28Å; F29-P49 WeakPolarHBondContact CE2-O 3.11Å; F33-P49 HydrophobicContact CB-CB 4.15Å; F33-P49 HydrophobicContact CB-CG 4.4Å; L45-P49 HydrophobicContact CD2-CG 4Å |
| 50 | L | 88.1 | Confident | 89.4 | Confident | 22 Ų | 22 | 74.2 Ų | 74.2 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -3.8 | 179.1 | -55.3 | 178.8 | 0 | 0 | 0 | 114.2 | F29 F33 L45 Y46 G48 K52 Y53 V55 | F29-L50 HydrophobicContact CZ-CD2 4.3Å; F33-L50 HydrophobicContact CD2-CD2 3.94Å; F33-L50 HydrophobicContact CD2-CG 4.2Å; F33-L50 HydrophobicContact CE2-CD1 4.12Å; F33-L50 HydrophobicContact CE2-CD2 4.03Å; F33-L50 HydrophobicContact CE2-CG 4.23Å; L45-L50 HydrophobicContact CB-CD1 4.39Å; L45-L50 WeakPolarHBondContact O-CA 3.41Å; L45-L50 WeakPolarHBondContact O-CB 3.4Å; L45-L50 WeakPolarHBondContact O-CG 3.36Å; L45-L50 PolarHBondContact O-N 3.17Å; Y46-L50 HydrophobicContact CD1-CB 4.5Å; Y46-L50 HydrophobicContact CD1-CD1 3.97Å; Y46-L50 HydrophobicContact CE1-CD1 4.07Å; G48-L50 VanDerWaalsContact C-N 3.26Å; G48-L50 PolarHBondContact O-N 3.09Å; G48-L50 VanDerWaalsContact O-N 3.15Å; L50-K52 PolarHBondContact O-N 3.07Å; L50-K52 VanDerWaalsContact O-N 3.1Å; L50-Y53 HydrophobicContact CD2-CD2 4.39Å; L50-Y53 WeakPolarHBondContact O-CB 3.15Å; L50-Y53 PolarHBondContact O-N 2.96Å; L50-V55 HydrophobicContact CB-CG2 4.2Å; L50-V55 HydrophobicContact CD1-CG2 4.42Å |
| 51 | G | 88.3 | Confident | 89.3 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 50% | 0.495 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -22.4 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y46 G48 Y53 | Y46-G51 WeakPolarHBondContact O-CA 3.33Å; Y46-G51 PolarHBondContact O-N 3.34Å; G48-G51 PolarHBondContact O-N 3.45Å; G51-Y53 VanDerWaalsContact C-N 3.3Å |
| 52 | K | 84.9 | Confident | 89.1 | Confident | 150 Ų | 150 | 76.5 Ų | 76.5 | 65% | 0.652 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -8.4 | 173.1 | 68.4 | -174.8 | 177.5 | -174.5 | 0 | 114.1 | L50 | L50-K52 PolarHBondContact O-N 3.07Å; L50-K52 VanDerWaalsContact O-N 3.1Å |
| 53 | Y | 83.7 | Confident | 89 | Confident | 118 Ų | 118 | 76.8 Ų | 76.8 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -107 | 140.2 | -177.1 | -59.3 | -84.6 | 0 | 0 | 0 | 111.4 | F29 L50 G51 V55 | F29-Y53 AromaticContact CE2-CE2 3.85Å; F29-Y53 HydrophobicContact CE2-CE2 3.85Å; F29-Y53 HydrophobicContact CZ-CE2 4.02Å; L50-Y53 HydrophobicContact CD2-CD2 4.39Å; L50-Y53 WeakPolarHBondContact O-CB 3.15Å; L50-Y53 PolarHBondContact O-N 2.96Å; G51-Y53 VanDerWaalsContact C-N 3.3Å; Y53-V55 VanDerWaalsContact C-N 3.35Å; Y53-V55 PolarHBondContact O-N 2.87Å |
| 54 | N | 88.3 | Confident | 88.8 | Confident | 166 Ų | 166 | 75.2 Ų | 75.2 | 89% | 0.888 | 41% | 0.413 | S | S | * | . | trans | -80.8 | 84.1 | 169.8 | -173.6 | 30.6 | 0 | 0 | 0 | 110 | N56 | N54-N56 PolarHBondContact O-N 3.35Š| ||
| 55 | V | 87.7 | Confident | 88.7 | Confident | 28 Ų | 28 | 77.2 Ų | 77.2 | 17% | 0.17 | 42% | 0.422 | C | S | . | . | trans | -76.3 | 120.1 | 179.2 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | Y46 L50 Y53 A59 K60 | Y46-V55 HydrophobicContact CE1-CG1 4.28Å; L50-V55 HydrophobicContact CB-CG2 4.2Å; L50-V55 HydrophobicContact CD1-CG2 4.42Å; Y53-V55 VanDerWaalsContact C-N 3.35Å; Y53-V55 PolarHBondContact O-N 2.87Å; V55-A59 HydrophobicContact CG1-CB 3.67Å; V55-K60 HydrophobicContact CB-CG 4.46Å; V55-K60 HydrophobicContact CG1-CG 3.88Å; V55-K60 WeakPolarHBondContact O-CE 3.35Å | ||
| 56 | N | 88.2 | Confident | 88.6 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 51% | 0.513 | 43% | 0.434 | S | S | . | . | trans | -73.9 | 165.1 | 178.2 | 69.3 | 47.6 | 0 | 0 | 0 | 112.4 | N54 D58 A59 K60 | N54-N56 PolarHBondContact O-N 3.35Å; N56-D58 PolarHBondContact O-N 3.4Å; N56-D58 PolarHBondContact OD1-N 3.5Å; N56-A59 PolarHBondContact O-N 3.47Å; N56-A59 WeakPolarHBondContact OD1-CB 3.47Å; N56-A59 PolarHBondContact OD1-N 3.44Å; N56-K60 WeakPolarHBondContact O-CG 3.49Å; N56-K60 PolarHBondContact O-N 2.89Å | ||
| 57 | E | 93.1 | Very high | 88.5 | Confident | 130 Ų | 130 | 77.8 Ų | 77.8 | 61% | 0.607 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.4 | -36.5 | -174.4 | -64.2 | -57.1 | 117.8 | 0 | 0 | 113.7 | A59 K60 A61 | E57-A59 VanDerWaalsContact C-N 3.35Å; E57-A59 PolarHBondContact O-N 2.81Å; E57-K60 PolarHBondContact O-N 3.48Å; E57-K60 IonicContact OE1-NZ 2.78Å; E57-K60 PolarHBondContact OE1-NZ 3.17Å; E57-A61 PolarHBondContact O-N 3.34Å |
| 58 | D | 89.7 | Confident | 88.3 | Confident | 136 Ų | 136 | 73.7 Ų | 73.7 | 73% | 0.727 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66.4 | -39.3 | 177.4 | -66.2 | -31.2 | 0 | 0 | 0 | 111.5 | N56 K60 A61 A62 | N56-D58 PolarHBondContact O-N 3.4Å; N56-D58 PolarHBondContact OD1-N 3.5Å; D58-K60 VanDerWaalsContact C-N 3.35Å; D58-A61 PolarHBondContact O-N 3.48Å; D58-A62 WeakPolarHBondContact O-CB 3.27Å; D58-A62 PolarHBondContact O-N 2.87Å |
| 59 | A | 86.5 | Confident | 88.4 | Confident | 37 Ų | 37 | 76 Ų | 76 | 31% | 0.306 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V55 N56 E57 A62 M63 | V55-A59 HydrophobicContact CG1-CB 3.67Å; N56-A59 PolarHBondContact O-N 3.47Å; N56-A59 WeakPolarHBondContact OD1-CB 3.47Å; N56-A59 PolarHBondContact OD1-N 3.44Å; E57-A59 VanDerWaalsContact C-N 3.35Å; E57-A59 PolarHBondContact O-N 2.81Å; A59-A62 PolarHBondContact O-N 3.32Å; A59-M63 WeakPolarHBondContact O-CB 3.31Å; A59-M63 WeakPolarHBondContact O-CG 3.4Å; A59-M63 PolarHBondContact O-N 3.21Å |
| 60 | K | 87.9 | Confident | 88.4 | Confident | 67 Ų | 67 | 76.4 Ų | 76.4 | 29% | 0.291 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 173.5 | -67.7 | 179.5 | -172.7 | 163.4 | 0 | 111.9 | Y46 V55 N56 E57 D58 M63 T64 | Y46-K60 HydrophobicContact CE1-CG 3.9Å; Y46-K60 HydrophobicContact CE2-CG 4.28Å; Y46-K60 VanDerWaalsContact OH-CA 3.27Å; Y46-K60 WeakPolarHBondContact OH-CA 3.29Å; Y46-K60 PolarHBondContact OH-O 3.43Å; V55-K60 HydrophobicContact CB-CG 4.46Å; V55-K60 HydrophobicContact CG1-CG 3.88Å; V55-K60 WeakPolarHBondContact O-CE 3.35Å; N56-K60 WeakPolarHBondContact O-CG 3.49Å; N56-K60 PolarHBondContact O-N 2.89Å; E57-K60 PolarHBondContact O-N 3.48Å; E57-K60 IonicContact OE1-NZ 2.78Å; E57-K60 PolarHBondContact OE1-NZ 3.17Å; D58-K60 VanDerWaalsContact C-N 3.35Å; K60-M63 PolarHBondContact O-N 2.99Å; K60-T64 PolarHBondContact O-N 3.19Å; K60-T64 PolarHBondContact O-OG1 3.17Å; K60-T64 VanDerWaalsContact O-OG1 3.14Å |
| 61 | A | 88.9 | Confident | 88.4 | Confident | 52 Ų | 52 | 79.3 Ų | 79.3 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E57 D58 M63 T64 E65 | E57-A61 PolarHBondContact O-N 3.34Å; D58-A61 PolarHBondContact O-N 3.48Å; A61-M63 VanDerWaalsContact C-N 3.25Å; A61-M63 PolarHBondContact O-N 2.78Å; A61-T64 WeakPolarHBondContact O-CB 3.49Å; A61-T64 PolarHBondContact O-N 3.13Å; A61-E65 PolarHBondContact O-N 3.25Å; A61-E65 VanDerWaalsContact O-N 3.1Å |
| 62 | A | 87.8 | Confident | 88.5 | Confident | 57 Ų | 57 | 80.1 Ų | 80.1 | 47% | 0.471 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.7 | -37.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D58 A59 E65 L66 | D58-A62 WeakPolarHBondContact O-CB 3.27Å; D58-A62 PolarHBondContact O-N 2.87Å; A59-A62 PolarHBondContact O-N 3.32Å; A62-E65 PolarHBondContact O-N 2.91Å; A62-L66 PolarHBondContact O-N 3.49Å |
| 63 | M | 87.2 | Confident | 88.8 | Confident | 27 Ų | 27 | 75.9 Ų | 75.9 | 13% | 0.133 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 178.5 | -77.3 | -84.2 | 31.8 | 0 | 0 | 113 | F33 L37 Y46 A59 K60 A61 E65 L66 K67 | F33-M63 HydrophobicContact CE2-SD 4.4Å; F33-M63 HydrophobicContact CZ-SD 4.24Å; L37-M63 HydrophobicContact CD1-CE 3.84Å; Y46-M63 WeakPolarHBondContact OH-CB 3.26Å; A59-M63 WeakPolarHBondContact O-CB 3.31Å; A59-M63 WeakPolarHBondContact O-CG 3.4Å; A59-M63 PolarHBondContact O-N 3.21Å; K60-M63 PolarHBondContact O-N 2.99Å; A61-M63 VanDerWaalsContact C-N 3.25Å; A61-M63 PolarHBondContact O-N 2.78Å; M63-E65 VanDerWaalsContact C-N 3.35Å; M63-L66 HydrophobicContact CE-CB 3.9Å; M63-L66 HydrophobicContact CE-CD2 3.53Å; M63-L66 HydrophobicContact CE-CG 4.13Å; M63-L66 PolarHBondContact O-N 2.85Å; M63-K67 WeakPolarHBondContact O-CB 2.98Å; M63-K67 PolarHBondContact O-N 3.25Å |
| 64 | T | 89 | Confident | 89.2 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 48% | 0.479 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 171.7 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | K60 A61 K67 S68 | K60-T64 PolarHBondContact O-N 3.19Å; K60-T64 PolarHBondContact O-OG1 3.17Å; K60-T64 VanDerWaalsContact O-OG1 3.14Å; A61-T64 WeakPolarHBondContact O-CB 3.49Å; A61-T64 PolarHBondContact O-N 3.13Å; T64-K67 PolarHBondContact O-N 3.1Å; T64-S68 WeakPolarHBondContact O-CB 3.25Å; T64-S68 PolarHBondContact O-N 3.28Å |
| 65 | E | 91 | Very high | 89.4 | Confident | 141 Ų | 141 | 73.7 Ų | 73.7 | 66% | 0.659 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.2 | -43.5 | 175.7 | -71.5 | -174.6 | -168.7 | 0 | 0 | 112.3 | A61 A62 M63 K67 S68 C69 | A61-E65 PolarHBondContact O-N 3.25Å; A61-E65 VanDerWaalsContact O-N 3.1Å; A62-E65 PolarHBondContact O-N 2.91Å; M63-E65 VanDerWaalsContact C-N 3.35Å; E65-K67 VanDerWaalsContact C-N 3.32Å; E65-K67 PolarHBondContact O-N 3.22Å; E65-S68 PolarHBondContact O-N 3.46Å; E65-C69 PolarHBondContact O-N 3.33Å; E65-C69 VanDerWaalsContact O-N 3.07Å; E65-C69 PolarHBondContact O-SG 2.89Å |
| 66 | L | 87.9 | Confident | 89.7 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 26% | 0.257 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.8 | -179.1 | 58.8 | 0 | 0 | 0 | 110.9 | V10 L37 A62 M63 S68 C69 I70 | V10-L66 HydrophobicContact CG2-CD1 3.9Å; L37-L66 HydrophobicContact CD1-CD2 4.4Å; L37-L66 HydrophobicContact CD2-CD2 4.14Å; A62-L66 PolarHBondContact O-N 3.49Å; M63-L66 HydrophobicContact CE-CB 3.9Å; M63-L66 HydrophobicContact CE-CD2 3.53Å; M63-L66 HydrophobicContact CE-CG 4.13Å; M63-L66 PolarHBondContact O-N 2.85Å; L66-S68 PolarHBondContact O-N 3.27Å; L66-C69 WeakPolarHBondContact O-CB 3.28Å; L66-C69 PolarHBondContact O-N 3.18Å; L66-C69 VanDerWaalsContact O-N 3.17Å; L66-I70 HydrophobicContact CD1-CD1 4.42Å; L66-I70 HydrophobicContact CG-CD1 4.19Å; L66-I70 WeakPolarHBondContact O-CG1 3.48Å; L66-I70 PolarHBondContact O-N 2.93Å; L66-I70 VanDerWaalsContact O-N 3.09Å |
| 67 | K | 88.7 | Confident | 89.8 | Confident | 10 Ų | 10 | 78.7 Ų | 78.7 | 4% | 0.043 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 179.3 | -172 | 55.7 | 162.6 | 68 | 0 | 111.9 | L37 G40 P42 M63 T64 E65 C69 I70 D71 | L37-K67 HydrophobicContact CD1-CD 4.36Å; L37-K67 WeakPolarHBondContact O-CD 3.36Å; L37-K67 WeakPolarHBondContact O-CE 3.46Å; G40-K67 WeakPolarHBondContact O-CE 3.26Å; G40-K67 PolarHBondContact O-NZ 3.07Å; P42-K67 HydrophobicContact CG-CB 4.19Å; P42-K67 HydrophobicContact CG-CG 3.99Å; M63-K67 WeakPolarHBondContact O-CB 2.98Å; M63-K67 PolarHBondContact O-N 3.25Å; T64-K67 PolarHBondContact O-N 3.1Å; E65-K67 VanDerWaalsContact C-N 3.32Å; E65-K67 PolarHBondContact O-N 3.22Å; K67-C69 VanDerWaalsContact C-N 3.27Å; K67-C69 PolarHBondContact O-N 3.39Å; K67-I70 PolarHBondContact O-N 3.11Å; K67-D71 IonicContact NZ-OD1 2.74Å; K67-D71 PolarHBondContact NZ-OD1 2.9Å; K67-D71 IonicContact NZ-OD2 2.72Å; K67-D71 PolarHBondContact NZ-OD2 3.35Å; K67-D71 PolarHBondContact O-N 3.36Å |
| 68 | S | 89.1 | Confident | 89.5 | Confident | 83 Ų | 83 | 74.7 Ų | 74.7 | 58% | 0.58 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57.6 | -40.3 | 173.6 | -179 | 0 | 0 | 0 | 0 | 112.2 | T64 E65 L66 I70 D71 G72 | T64-S68 WeakPolarHBondContact O-CB 3.25Å; T64-S68 PolarHBondContact O-N 3.28Å; E65-S68 PolarHBondContact O-N 3.46Å; L66-S68 PolarHBondContact O-N 3.27Å; S68-I70 VanDerWaalsContact C-N 3.33Å; S68-I70 PolarHBondContact O-N 3.41Å; S68-D71 PolarHBondContact O-N 2.96Å; S68-G72 PolarHBondContact O-N 3.36Å |
| 69 | C | 90.6 | Very high | 89.5 | Confident | 89 Ų | 89 | 70.2 Ų | 70.2 | 60% | 0.601 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.2 | -38.8 | 174.9 | -67.4 | 0 | 0 | 0 | 0 | 112.6 | E65 L66 K67 | E65-C69 PolarHBondContact O-N 3.33Å; E65-C69 VanDerWaalsContact O-N 3.07Å; E65-C69 PolarHBondContact O-SG 2.89Å; L66-C69 WeakPolarHBondContact O-CB 3.28Å; L66-C69 PolarHBondContact O-N 3.18Å; L66-C69 VanDerWaalsContact O-N 3.17Å; K67-C69 VanDerWaalsContact C-N 3.27Å; K67-C69 PolarHBondContact O-N 3.39Å |
| 70 | I | 89 | Confident | 89.7 | Confident | 21 Ų | 21 | 72.7 Ų | 72.7 | 11% | 0.108 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -72.3 | -41 | 178.7 | -67.1 | 170.8 | 0 | 0 | 0 | 111.1 | L37 L38 L66 K67 S68 G72 L73 | L37-I70 HydrophobicContact CD1-CD1 3.8Å; L37-I70 HydrophobicContact CD2-CD1 3.8Å; L37-I70 HydrophobicContact CG-CD1 3.52Å; L38-I70 HydrophobicContact CD2-CG2 4.17Å; L66-I70 HydrophobicContact CD1-CD1 4.42Å; L66-I70 HydrophobicContact CG-CD1 4.19Å; L66-I70 WeakPolarHBondContact O-CG1 3.48Å; L66-I70 PolarHBondContact O-N 2.93Å; L66-I70 VanDerWaalsContact O-N 3.09Å; K67-I70 PolarHBondContact O-N 3.11Å; S68-I70 VanDerWaalsContact C-N 3.33Å; S68-I70 PolarHBondContact O-N 3.41Å; I70-G72 VanDerWaalsContact C-N 3.26Å; I70-G72 PolarHBondContact O-N 2.97Å; I70-L73 HydrophobicContact CG2-CD1 4.41Å; I70-L73 VanDerWaalsContact O-CB 3.23Å; I70-L73 WeakPolarHBondContact O-CB 3.48Å; I70-L73 VanDerWaalsContact O-CG 3.26Å; I70-L73 WeakPolarHBondContact O-CG 3.18Å; I70-L73 PolarHBondContact O-N 3.48Å; I70-L73 VanDerWaalsContact O-N 3.11Å |
| 71 | D | 89.4 | Confident | 89.7 | Confident | 82 Ų | 82 | 73 Ų | 73 | 44% | 0.439 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.6 | -24.7 | 178.1 | -70.3 | -23.9 | 0 | 0 | 0 | 112.5 | K67 S68 L73 K78 | K67-D71 IonicContact NZ-OD1 2.74Å; K67-D71 PolarHBondContact NZ-OD1 2.9Å; K67-D71 IonicContact NZ-OD2 2.72Å; K67-D71 PolarHBondContact NZ-OD2 3.35Å; K67-D71 PolarHBondContact O-N 3.36Å; S68-D71 PolarHBondContact O-N 2.96Å; D71-L73 PolarHBondContact O-N 3.46Å; D71-K78 IonicContact OD1-NZ 3.09Å; D71-K78 PolarHBondContact OD1-NZ 2.83Å; D71-K78 VanDerWaalsContact OD1-NZ 3.09Å |
| 72 | G | 90.8 | Very high | 89.6 | Confident | 65 Ų | 65 | 73.4 Ų | 73.4 | 67% | 0.67 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -5.9 | 170 | 0 | 0 | 0 | 0 | 0 | 114.9 | S68 I70 | S68-G72 PolarHBondContact O-N 3.36Å; I70-G72 VanDerWaalsContact C-N 3.26Å; I70-G72 PolarHBondContact O-N 2.97Å |
| 73 | L | 90.7 | Very high | 89.5 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 33% | 0.325 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -67.9 | 144.7 | 176.2 | -66.1 | 173.9 | 0 | 0 | 0 | 111.1 | I70 D71 L81 | I70-L73 HydrophobicContact CG2-CD1 4.41Å; I70-L73 VanDerWaalsContact O-CB 3.23Å; I70-L73 WeakPolarHBondContact O-CB 3.48Å; I70-L73 VanDerWaalsContact O-CG 3.26Å; I70-L73 WeakPolarHBondContact O-CG 3.18Å; I70-L73 PolarHBondContact O-N 3.48Å; I70-L73 VanDerWaalsContact O-N 3.11Å; D71-L73 PolarHBondContact O-N 3.46Å; L73-L81 HydrophobicContact CD1-CD1 3.64Å |
| 74 | Q | 92.3 | Very high | 89.4 | Confident | 125 Ų | 125 | 80 Ų | 80 | 58% | 0.584 | 44% | 0.443 | S | S | * | . | trans | -58.1 | 140.3 | 169.4 | -66.1 | -176.3 | -79.2 | 0 | 0 | 109.8 | M76 H77 K78 | Q74-M76 PolarHBondContact O-N 2.98Å; Q74-H77 PolarHBondContact O-N 3.34Å; Q74-H77 PolarHBondContact OE1-CE1 2.84Å; Q74-K78 PolarHBondContact O-N 2.85Å; Q74-K78 VanDerWaalsContact O-N 3.11Å | ||
| 75 | P | 92.3 | Very high | 89 | Confident | 112 Ų | 112 | 77.1 Ų | 77.1 | 73% | 0.727 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -52 | -37 | -177.5 | -30.3 | 35.3 | 0 | 0 | 0 | 113.9 | K78 A79 | P75-K78 PolarHBondContact O-N 3.32Å; P75-A79 WeakPolarHBondContact O-CB 3.21Å; P75-A79 PolarHBondContact O-N 2.64Å |
| 76 | M | 94.1 | Very high | 88.5 | Confident | 137 Ų | 137 | 74.7 Ų | 74.7 | 68% | 0.675 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62 | -45 | 176.2 | -176.2 | 177.7 | 177.9 | 0 | 0 | 112.5 | Q74 K78 A79 E80 | Q74-M76 PolarHBondContact O-N 2.98Å; M76-K78 VanDerWaalsContact C-N 3.34Å; M76-A79 PolarHBondContact O-N 3.29Å; M76-E80 WeakPolarHBondContact O-CG 2.89Å; M76-E80 PolarHBondContact O-N 3.19Å |
| 77 | H | 90.4 | Very high | 88 | Confident | 93 Ų | 93 | 78.7 Ų | 78.7 | 43% | 0.431 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 178.6 | -60.4 | 153.5 | 0 | 0 | 0 | 111.6 | Q74 A79 E80 L81 | Q74-H77 PolarHBondContact O-N 3.34Å; Q74-H77 PolarHBondContact OE1-CE1 2.84Å; H77-A79 VanDerWaalsContact C-N 3.32Å; H77-A79 PolarHBondContact O-N 2.87Å; H77-E80 PolarHBondContact O-N 3.46Å; H77-L81 WeakPolarHBondContact O-CG 3.18Å; H77-L81 PolarHBondContact O-N 3.19Å |
| 78 | K | 87.2 | Confident | 87.3 | Confident | 45 Ų | 45 | 81.5 Ų | 81.5 | 20% | 0.196 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 174.8 | -167.7 | 168.6 | -177.8 | 168.5 | 0 | 111.3 | L38 D71 Q74 P75 M76 L81 I82 | L38-K78 WeakPolarHBondContact O-CE 3.15Å; L38-K78 PolarHBondContact O-NZ 2.82Å; D71-K78 IonicContact OD1-NZ 3.09Å; D71-K78 PolarHBondContact OD1-NZ 2.83Å; D71-K78 VanDerWaalsContact OD1-NZ 3.09Å; Q74-K78 PolarHBondContact O-N 2.85Å; Q74-K78 VanDerWaalsContact O-N 3.11Å; P75-K78 PolarHBondContact O-N 3.32Å; M76-K78 VanDerWaalsContact C-N 3.34Å; K78-L81 PolarHBondContact O-N 2.96Å; K78-I82 WeakPolarHBondContact O-CG1 3.19Å; K78-I82 PolarHBondContact O-N 2.94Å; K78-I82 VanDerWaalsContact O-N 3.16Å |
| 79 | A | 89.4 | Confident | 86.2 | Confident | 43 Ų | 43 | 80.7 Ų | 80.7 | 36% | 0.355 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | P75 M76 H77 I82 K83 | P75-A79 WeakPolarHBondContact O-CB 3.21Å; P75-A79 PolarHBondContact O-N 2.64Å; M76-A79 PolarHBondContact O-N 3.29Å; H77-A79 VanDerWaalsContact C-N 3.32Å; H77-A79 PolarHBondContact O-N 2.87Å; A79-I82 PolarHBondContact O-N 3.15Å; A79-K83 WeakPolarHBondContact O-CG 3.49Å; A79-K83 PolarHBondContact O-N 3.19Å |
| 80 | E | 91 | Very high | 85 | Confident | 88 Ų | 88 | 78.8 Ų | 78.8 | 41% | 0.411 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 176.2 | -67.8 | -53.9 | 130.9 | 0 | 0 | 112.6 | M76 H77 I82 K83 L84 | M76-E80 WeakPolarHBondContact O-CG 2.89Å; M76-E80 PolarHBondContact O-N 3.19Å; H77-E80 PolarHBondContact O-N 3.46Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 2.84Å; E80-K83 PolarHBondContact O-N 3.02Å; E80-K83 IonicContact OE1-NZ 2.71Å; E80-K83 PolarHBondContact OE1-NZ 2.88Å; E80-K83 IonicContact OE2-NZ 3.96Å; E80-L84 PolarHBondContact O-N 3.13Å |
| 81 | L | 87.2 | Confident | 83.5 | Confident | 73 Ų | 73 | 81.1 Ų | 81.1 | 38% | 0.382 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 172.6 | -71.4 | 175.1 | 0 | 0 | 0 | 112.3 | L38 L73 H77 K78 L84 L85 | L38-L81 HydrophobicContact CD1-CB 4.4Å; L38-L81 HydrophobicContact CD2-CB 4.14Å; L38-L81 HydrophobicContact CD2-CD1 4.08Å; L73-L81 HydrophobicContact CD1-CD1 3.64Å; H77-L81 WeakPolarHBondContact O-CG 3.18Å; H77-L81 PolarHBondContact O-N 3.19Å; K78-L81 PolarHBondContact O-N 2.96Å; L81-L84 PolarHBondContact O-N 3.14Å; L81-L85 PolarHBondContact O-N 3.24Å |
| 82 | I | 86.3 | Confident | 81.9 | Confident | 62 Ų | 62 | 81.3 Ų | 81.3 | 32% | 0.318 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.6 | -65.6 | 164.9 | 0 | 0 | 0 | 110.6 | L38 V39 K78 A79 E80 L84 L85 V86 | L38-I82 HydrophobicContact CD1-CG1 4.31Å; V39-I82 HydrophobicContact CG1-CD1 3.64Å; V39-I82 HydrophobicContact CG1-CG1 4.31Å; K78-I82 WeakPolarHBondContact O-CG1 3.19Å; K78-I82 PolarHBondContact O-N 2.94Å; K78-I82 VanDerWaalsContact O-N 3.16Å; A79-I82 PolarHBondContact O-N 3.15Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 2.84Å; I82-L84 VanDerWaalsContact C-N 3.31Å; I82-L84 PolarHBondContact O-N 2.97Å; I82-L85 WeakPolarHBondContact O-CB 3.38Å; I82-L85 PolarHBondContact O-N 3.22Å; I82-V86 WeakPolarHBondContact O-CG2 3.46Å; I82-V86 PolarHBondContact O-N 3.21Å |
| 83 | K | 86.4 | Confident | 79.9 | Confident | 120 Ų | 120 | 85.7 Ų | 85.7 | 52% | 0.522 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 176 | -71.4 | 176 | -173.2 | 170.1 | 0 | 112.1 | A79 E80 L85 V86 H87 | A79-K83 WeakPolarHBondContact O-CG 3.49Å; A79-K83 PolarHBondContact O-N 3.19Å; E80-K83 PolarHBondContact O-N 3.02Å; E80-K83 IonicContact OE1-NZ 2.71Å; E80-K83 PolarHBondContact OE1-NZ 2.88Å; E80-K83 IonicContact OE2-NZ 3.96Å; K83-L85 VanDerWaalsContact C-N 3.32Å; K83-L85 PolarHBondContact O-N 3.33Å; K83-V86 PolarHBondContact O-N 3.37Å; K83-H87 PolarHBondContact O-N 2.93Å |
| 84 | L | 84.4 | Confident | 78 | Confident | 102 Ų | 102 | 86.3 Ų | 86.3 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 175.4 | -179.7 | 62.9 | 0 | 0 | 0 | 111 | E80 L81 I82 V86 H87 V88 | E80-L84 PolarHBondContact O-N 3.13Å; L81-L84 PolarHBondContact O-N 3.14Å; I82-L84 VanDerWaalsContact C-N 3.31Å; I82-L84 PolarHBondContact O-N 2.97Å; L84-V86 PolarHBondContact O-N 3.1Å; L84-H87 PolarHBondContact O-N 2.95Å; L84-V88 WeakPolarHBondContact O-CG2 3.27Å; L84-V88 PolarHBondContact O-N 2.86Å |
| 85 | L | 80.9 | Confident | 75.5 | Confident | 18 Ų | 18 | 88.2 Ų | 88.2 | 9% | 0.094 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 176 | -171.7 | 72 | 0 | 0 | 0 | 111.5 | M31 L34 Q35 L38 L81 I82 K83 H87 V88 L89 | M31-L85 HydrophobicContact CE-CD1 3.4Å; M31-L85 HydrophobicContact CE-CG 3.97Å; M31-L85 HydrophobicContact SD-CD1 3.73Å; L34-L85 HydrophobicContact CB-CD1 3.83Å; L34-L85 HydrophobicContact CB-CD2 4.42Å; L34-L85 HydrophobicContact CD1-CD1 3.68Å; L34-L85 HydrophobicContact CG-CD1 4.45Å; Q35-L85 HydrophobicContact CB-CD2 4.04Å; L38-L85 HydrophobicContact CD1-CD2 4.31Å; L81-L85 PolarHBondContact O-N 3.24Å; I82-L85 WeakPolarHBondContact O-CB 3.38Å; I82-L85 PolarHBondContact O-N 3.22Å; K83-L85 VanDerWaalsContact C-N 3.32Å; K83-L85 PolarHBondContact O-N 3.33Å; L85-H87 VanDerWaalsContact C-N 3.3Å; L85-H87 PolarHBondContact O-N 3.43Å; L85-V88 PolarHBondContact O-N 3.1Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 3.01Å |
| 86 | V | 80.3 | Confident | 74.7 | Confident | 89 Ų | 89 | 87 Ų | 87 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | I82 K83 L84 L89 G90 | I82-V86 WeakPolarHBondContact O-CG2 3.46Å; I82-V86 PolarHBondContact O-N 3.21Å; K83-V86 PolarHBondContact O-N 3.37Å; L84-V86 PolarHBondContact O-N 3.1Å; V86-L89 WeakPolarHBondContact O-CB 3.48Å; V86-L89 PolarHBondContact O-N 3.33Å; V86-G90 PolarHBondContact O-N 3.38Å |
| 87 | H | 77.9 | Confident | 73.7 | Confident | 134 Ų | 134 | 84.4 Ų | 84.4 | 62% | 0.62 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.5 | -39.2 | 177.7 | -169.2 | 69 | 0 | 0 | 0 | 112.2 | K83 L84 L85 L89 S91 | K83-H87 PolarHBondContact O-N 2.93Å; L84-H87 PolarHBondContact O-N 2.95Å; L85-H87 VanDerWaalsContact C-N 3.3Å; L85-H87 PolarHBondContact O-N 3.43Å; H87-L89 VanDerWaalsContact C-N 3.29Å; H87-L89 PolarHBondContact O-N 3.04Å; H87-S91 WeakPolarHBondContact O-CB 3.33Å; H87-S91 PolarHBondContact O-N 2.84Å; H87-S91 VanDerWaalsContact O-N 3.11Å; H87-S91 PolarHBondContact O-OG 3.49Å |
| 88 | V | 72.6 | Confident | 72.8 | Confident | 69 Ų | 69 | 83.9 Ų | 83.9 | 42% | 0.418 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -33 | 174.3 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | M31 L84 L85 Q92 | M31-V88 HydrophobicContact CE-CB 4.08Å; M31-V88 HydrophobicContact CE-CG1 3.81Å; L84-V88 WeakPolarHBondContact O-CG2 3.27Å; L84-V88 PolarHBondContact O-N 2.86Å; L85-V88 PolarHBondContact O-N 3.1Å; V88-Q92 PolarHBondContact O-NE2 2.78Å |
| 89 | L | 67.2 | Low | 71.9 | Confident | 66 Ų | 66 | 86.2 Ų | 86.2 | 35% | 0.346 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.9 | -55 | 172.9 | -70 | 169.9 | 0 | 0 | 0 | 112.3 | M31 L85 V86 H87 S91 Q92 | M31-L89 HydrophobicContact CB-CD2 3.87Å; M31-L89 HydrophobicContact CE-CB 4.4Å; M31-L89 HydrophobicContact CE-CD1 4.12Å; M31-L89 HydrophobicContact CE-CD2 3.3Å; M31-L89 HydrophobicContact CE-CG 3.29Å; M31-L89 HydrophobicContact CG-CD2 3.58Å; M31-L89 HydrophobicContact SD-CD2 4.31Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 3.01Å; V86-L89 WeakPolarHBondContact O-CB 3.48Å; V86-L89 PolarHBondContact O-N 3.33Å; H87-L89 VanDerWaalsContact C-N 3.29Å; H87-L89 PolarHBondContact O-N 3.04Å; L89-S91 PolarHBondContact O-N 3.24Å; L89-S91 VanDerWaalsContact O-N 3.12Å; L89-Q92 WeakPolarHBondContact O-CB 3.34Å; L89-Q92 PolarHBondContact O-N 3.23Å |
| 90 | G | 64.3 | Low | 70.8 | Confident | 49 Ų | 49 | 88.9 Ų | 88.9 | 51% | 0.505 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.1 | -14.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V86 Q92 | V86-G90 PolarHBondContact O-N 3.38Å; G90-Q92 VanDerWaalsContact C-N 3.29Å |
| 91 | S | 59 | Low | 69.5 | Low | 70 Ų | 70 | 88.9 Ų | 88.9 | 49% | 0.49 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -10.2 | 172.3 | -57.5 | 0 | 0 | 0 | 0 | 113.4 | H87 L89 | H87-S91 WeakPolarHBondContact O-CB 3.33Å; H87-S91 PolarHBondContact O-N 2.84Å; H87-S91 VanDerWaalsContact O-N 3.11Å; H87-S91 PolarHBondContact O-OG 3.49Å; L89-S91 PolarHBondContact O-N 3.24Å; L89-S91 VanDerWaalsContact O-N 3.12Å |
| 92 | Q | 54.2 | Low | 68.2 | Low | 86 Ų | 86 | 90.1 Ų | 90.1 | 40% | 0.402 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -85.9 | -18.9 | 178.4 | -67.9 | 179.6 | 56.2 | 0 | 0 | 113.5 | N27 V88 L89 G90 G94 | N27-Q92 VanDerWaalsContact ND2-CD 3.27Å; N27-Q92 PolarHBondContact ND2-NE2 3.36Å; N27-Q92 VanDerWaalsContact ND2-NE2 3.19Å; N27-Q92 PolarHBondContact ND2-OE1 3.48Å; N27-Q92 PolarHBondContact OD1-NE2 2.89Å; V88-Q92 PolarHBondContact O-NE2 2.78Å; L89-Q92 WeakPolarHBondContact O-CB 3.34Å; L89-Q92 PolarHBondContact O-N 3.23Å; G90-Q92 VanDerWaalsContact C-N 3.29Å; Q92-G94 PolarHBondContact O-N 3.26Å; Q92-G94 VanDerWaalsContact O-N 3.11Å |
| 93 | D | 50.3 | Low | 66.8 | Low | 157 Ų | 157 | 92.2 Ų | 92.2 | 84% | 0.84 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 11.9 | 178.9 | -68.7 | -33 | 0 | 0 | 0 | 114 | ||
| 94 | G | 50.6 | Low | 65.2 | Low | 74 Ų | 74 | 89.9 Ų | 89.9 | 76% | 0.763 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | 21 | -170 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q92 | Q92-G94 PolarHBondContact O-N 3.26Å; Q92-G94 VanDerWaalsContact O-N 3.11Å |
| 95 | A | 40.5 | Very low | 63.4 | Low | 165 Ų | 165 | 88.8 Ų | 88.8 | 100% | 1.364 | 58% | 0.58 | S | S | * | * | trans | -126.7 | 0 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 95 of 95 residues in 55.6 ms
(Link to these results)