| 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 | 30.9 | Very low | 32.8 | Very low | 231 Ų | 231 | 161.7 Ų | 161.7 | 100% | 1.138 | 83% | 0.832 | S | S | * | * | 0 | -16.3 | 0 | -76.9 | -157.7 | -159.9 | 0 | 0 | 114.2 | G3 | M1-G3 VanDerWaalsContact C-N 3.34Å; M1-G3 PolarHBondContact O-N 3.34Å | |||
| 2 | F | 31.8 | Very low | 33.7 | Very low | 193 Ų | 193 | 163.5 Ų | 163.5 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -89.6 | 66.1 | 178.7 | -61.4 | -79.7 | 0 | 0 | 0 | 111.3 | Y4 | F2-Y4 PolarHBondContact O-N 3.05Š| ||
| 3 | G | 29.3 | Very low | 34.7 | Very low | 75 Ų | 75 | 159.2 Ų | 159.2 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -76.8 | 113.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | M1 E5 | M1-G3 VanDerWaalsContact C-N 3.34Å; M1-G3 PolarHBondContact O-N 3.34Å; G3-E5 PolarHBondContact O-N 3.47Å | ||
| 4 | Y | 27.8 | Very low | 35.8 | Very low | 229 Ų | 229 | 151.5 Ų | 151.5 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -73.4 | 94.3 | 176.7 | -105 | -98.7 | 0 | 0 | 0 | 109.9 | F2 | F2-Y4 PolarHBondContact O-N 3.05Š| ||
| 5 | E | 30.1 | Very low | 37 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -99.6 | 121.5 | 154 | -84.1 | -168.5 | 158.3 | 0 | 0 | 108.8 | G3 P7 | G3-E5 PolarHBondContact O-N 3.47Å; E5-P7 WeakPolarHBondContact O-CD 3.42Å | ||
| 6 | K | 31.1 | Very low | 38.2 | Very low | 196 Ų | 196 | 143.4 Ų | 143.4 | 85% | 0.852 | 74% | 0.74 | S | S | * | * | trans | -57 | 114.8 | 177.3 | -84 | 179.9 | 173.8 | 176.2 | 0 | 109.8 | R8 | K6-R8 PolarHBondContact O-N 3.18Š| ||
| 7 | P | 35.5 | Very low | 39.3 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | trans | -77.8 | 113.7 | 172.6 | -3.4 | 21.4 | 0 | 0 | 0 | 108.4 | E5 A9 | E5-P7 WeakPolarHBondContact O-CD 3.42Å; P7-A9 PolarHBondContact O-N 3.39Å | ||
| 8 | R | 31.9 | Very low | 40.2 | Very low | 238 Ų | 238 | 137.1 Ų | 137.1 | 90% | 0.898 | 70% | 0.703 | S | S | * | * | trans | -51.8 | 126.2 | 159.9 | -76.4 | 177.9 | 171.5 | 171 | -2.7 | 108.4 | K6 C10 | K6-R8 PolarHBondContact O-N 3.18Å; R8-C10 PolarHBondContact O-N 3.37Å | ||
| 9 | A | 39.2 | Very low | 41.2 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 93% | 0.926 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 11 | 70.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116 | P7 | P7-A9 PolarHBondContact O-N 3.39Š|
| 10 | C | 33.1 | Very low | 42.2 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 61% | 0.608 | 66% | 0.656 | S | S | * | * | trans | -105.5 | 123.5 | 165.5 | -106.7 | 0 | 0 | 0 | 0 | 107.5 | R8 | R8-C10 PolarHBondContact O-N 3.37Š| ||
| 11 | N | 40.1 | Very low | 42.9 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 69% | 0.69 | 64% | 0.644 | S | S | * | * | trans | -43.5 | 139.3 | 180 | -79.8 | -29.3 | 0 | 0 | 0 | 112.3 | T13 S14 | N11-T13 PolarHBondContact O-N 2.75Å; N11-S14 PolarHBondContact O-N 3.35Å | ||
| 12 | K | 43.9 | Very low | 44.3 | Very low | 183 Ų | 183 | 122.1 Ų | 122.1 | 80% | 0.796 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -48.4 | -24.4 | -178.8 | -74 | -179.5 | 174.9 | 177.3 | 0 | 114.4 | S14 H16 | K12-S14 VanDerWaalsContact C-N 3.34Å; K12-S14 PolarHBondContact O-N 3.39Å; K12-H16 PolarHBondContact O-ND1 2.74Å |
| 13 | T | 46.8 | Very low | 45.7 | Very low | 107 Ų | 107 | 113.7 Ų | 113.7 | 66% | 0.656 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.8 | -33.8 | 173.3 | 18.6 | 0 | 0 | 0 | 0 | 114 | N11 F17 | N11-T13 PolarHBondContact O-N 2.75Å; T13-F17 WeakPolarHBondContact O-CB 3.49Å; T13-F17 PolarHBondContact O-N 3.43Å |
| 14 | S | 50.5 | Low | 47.2 | Very low | 52 Ų | 52 | 111.3 Ų | 111.3 | 36% | 0.364 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.3 | -35.8 | -178.6 | -58.3 | 0 | 0 | 0 | 0 | 113 | N11 K12 F17 I18 | N11-S14 PolarHBondContact O-N 3.35Å; K12-S14 VanDerWaalsContact C-N 3.34Å; K12-S14 PolarHBondContact O-N 3.39Å; S14-F17 PolarHBondContact O-N 2.9Å; S14-I18 WeakPolarHBondContact O-CD1 3.37Å; S14-I18 VanDerWaalsContact O-CG1 3.26Å; S14-I18 WeakPolarHBondContact O-CG1 3.29Å; S14-I18 PolarHBondContact O-N 2.71Å; S14-I18 VanDerWaalsContact O-N 3.13Å |
| 15 | L | 53.6 | Low | 48.7 | Very low | 105 Ų | 105 | 106 Ų | 106 | 55% | 0.55 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.7 | -42.4 | -179.9 | -171.4 | 67.5 | 0 | 0 | 0 | 111.6 | F17 I18 I19 | L15-F17 VanDerWaalsContact C-N 3.35Å; L15-I18 PolarHBondContact O-N 3.42Å; L15-I19 HydrophobicContact CG-CD1 4.36Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 3.26Å |
| 16 | H | 55.7 | Low | 50 | Low | 69 Ų | 69 | 99.8 Ų | 99.8 | 32% | 0.319 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 175 | -65.5 | 149.7 | 0 | 0 | 0 | 112.2 | K12 I18 I19 F20 Y48 | K12-H16 PolarHBondContact O-ND1 2.74Å; H16-I18 VanDerWaalsContact C-N 3.34Å; H16-I18 PolarHBondContact O-N 2.7Å; H16-I19 PolarHBondContact O-N 3.46Å; H16-F20 PolarHBondContact O-N 3.13Å; H16-Y48 HydrophobicContact CB-CE2 4.24Å |
| 17 | F | 57.1 | Low | 51.3 | Low | 105 Ų | 105 | 91 Ų | 91 | 46% | 0.461 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 174 | -177.5 | -109.3 | 0 | 0 | 0 | 112.4 | T13 S14 L15 L21 M66 | T13-F17 WeakPolarHBondContact O-CB 3.49Å; T13-F17 PolarHBondContact O-N 3.43Å; S14-F17 PolarHBondContact O-N 2.9Å; L15-F17 VanDerWaalsContact C-N 3.35Å; F17-L21 HydrophobicContact CD1-CD1 3.74Å; F17-L21 HydrophobicContact CD2-CD1 4.45Å; F17-L21 HydrophobicContact CE1-CD1 3.25Å; F17-L21 HydrophobicContact CE1-CG 4.45Å; F17-L21 HydrophobicContact CE2-CD1 4.03Å; F17-L21 HydrophobicContact CG-CD1 4.33Å; F17-L21 HydrophobicContact CZ-CD1 3.42Å; F17-L21 VanDerWaalsContact CZ-CD1 3.42Å; F17-L21 HydrophobicContact CZ-CG 4.32Å; F17-L21 WeakPolarHBondContact O-CB 3.38Å; F17-L21 PolarHBondContact O-N 2.96Å; F17-M66 HydrophobicContact CE2-CE 4.26Å |
| 18 | I | 55.9 | Low | 52.3 | Low | 68 Ų | 68 | 92.8 Ų | 92.8 | 35% | 0.349 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 177.5 | -69 | 164.8 | 0 | 0 | 0 | 111.5 | S14 L15 H16 F20 R22 | S14-I18 WeakPolarHBondContact O-CD1 3.37Å; S14-I18 VanDerWaalsContact O-CG1 3.26Å; S14-I18 WeakPolarHBondContact O-CG1 3.29Å; S14-I18 PolarHBondContact O-N 2.71Å; S14-I18 VanDerWaalsContact O-N 3.13Å; L15-I18 PolarHBondContact O-N 3.42Å; H16-I18 VanDerWaalsContact C-N 3.34Å; H16-I18 PolarHBondContact O-N 2.7Å; I18-F20 VanDerWaalsContact C-N 3.35Å; I18-F20 PolarHBondContact O-N 3.17Å; I18-R22 HydrophobicContact CG2-CG 4.32Å; I18-R22 VanDerWaalsContact CG2-NE 3.34Å; I18-R22 VanDerWaalsContact O-CB 3.28Å; I18-R22 WeakPolarHBondContact O-CB 3.23Å; I18-R22 WeakPolarHBondContact O-CG 3.17Å; I18-R22 PolarHBondContact O-N 3Å |
| 19 | I | 59 | Low | 53.7 | Low | 80 Ų | 80 | 87.2 Ų | 87.2 | 41% | 0.41 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 178.9 | -66.6 | 167.2 | 0 | 0 | 0 | 110.5 | L15 H16 R22 C23 | L15-I19 HydrophobicContact CG-CD1 4.36Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 3.26Å; H16-I19 PolarHBondContact O-N 3.46Å; I19-R22 PolarHBondContact O-N 3.49Å; I19-C23 PolarHBondContact O-N 3.11Å; I19-C23 PolarHBondContact O-SG 3.03Å |
| 20 | F | 60.8 | Low | 54.5 | Low | 14 Ų | 14 | 90.6 Ų | 90.6 | 6% | 0.061 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.9 | -49.8 | 177.6 | -178.4 | -95.2 | 0 | 0 | 0 | 112.6 | H16 I18 R22 C23 F24 L45 I63 M66 | H16-F20 PolarHBondContact O-N 3.13Å; I18-F20 VanDerWaalsContact C-N 3.35Å; I18-F20 PolarHBondContact O-N 3.17Å; F20-R22 VanDerWaalsContact C-N 3.25Å; F20-R22 PolarHBondContact O-N 3.45Å; F20-C23 PolarHBondContact O-N 3.38Å; F20-F24 HydrophobicContact CD1-CD2 4.25Å; F20-F24 HydrophobicContact CD2-CD2 4.04Å; F20-F24 AromaticContact CD2-CE2 3.98Å; F20-F24 HydrophobicContact CD2-CE2 3.98Å; F20-F24 AromaticContact CE1-CD2 3.79Å; F20-F24 HydrophobicContact CE1-CD2 3.79Å; F20-F24 AromaticContact CE1-CE2 3.95Å; F20-F24 HydrophobicContact CE1-CE2 3.95Å; F20-F24 HydrophobicContact CE1-CG 4.26Å; F20-F24 HydrophobicContact CE1-CZ 4.48Å; F20-F24 AromaticContact CE2-CD2 3.56Å; F20-F24 HydrophobicContact CE2-CD2 3.56Å; F20-F24 AromaticContact CE2-CE2 3.11Å; F20-F24 HydrophobicContact CE2-CE2 3.11Å; F20-F24 AromaticContact CE2-CZ 3.94Å; F20-F24 HydrophobicContact CE2-CZ 3.94Å; F20-F24 HydrophobicContact CG-CD2 4.36Å; F20-F24 AromaticContact CZ-CD2 3.44Å; F20-F24 HydrophobicContact CZ-CD2 3.44Å; F20-F24 VanDerWaalsContact CZ-CD2 3.44Å; F20-F24 HydrophobicContact CZ-CE1 4.3Å; F20-F24 AromaticContact CZ-CE2 3.11Å; F20-F24 HydrophobicContact CZ-CE2 3.11Å; F20-F24 HydrophobicContact CZ-CG 4.2Å; F20-F24 AromaticContact CZ-CZ 3.59Å; F20-F24 HydrophobicContact CZ-CZ 3.59Å; F20-F24 PolarHBondContact O-N 3.34Å; F20-L45 HydrophobicContact CD2-CD2 4.14Å; F20-L45 HydrophobicContact CE2-CD2 4.09Å; F20-I63 HydrophobicContact CD2-CG1 4.26Å; F20-I63 HydrophobicContact CE2-CB 4.28Å; F20-I63 HydrophobicContact CE2-CD1 4.16Å; F20-I63 HydrophobicContact CE2-CG1 3.55Å; F20-I63 HydrophobicContact CE2-CG2 4.03Å; F20-I63 HydrophobicContact CZ-CB 4.31Å; F20-I63 HydrophobicContact CZ-CG1 3.99Å; F20-I63 HydrophobicContact CZ-CG2 4.01Å; F20-M66 HydrophobicContact CD1-CE 3.68Å; F20-M66 HydrophobicContact CD1-SD 3.69Å; F20-M66 HydrophobicContact CE1-CB 4.19Å; F20-M66 HydrophobicContact CE1-CE 3.51Å; F20-M66 HydrophobicContact CE1-CG 4.44Å; F20-M66 HydrophobicContact CE1-SD 3.37Å; F20-M66 WeakPolarHBondContact CE1-SD 3.42Å; F20-M66 HydrophobicContact CZ-SD 4.31Å |
| 21 | L | 56.4 | Low | 55.6 | Low | 77 Ų | 77 | 94.3 Ų | 94.3 | 40% | 0.403 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.3 | -40 | 175.2 | -89.2 | 168.7 | 0 | 0 | 0 | 111.4 | F17 F24 F25 M66 | F17-L21 HydrophobicContact CD1-CD1 3.74Å; F17-L21 HydrophobicContact CD2-CD1 4.45Å; F17-L21 HydrophobicContact CE1-CD1 3.25Å; F17-L21 HydrophobicContact CE1-CG 4.45Å; F17-L21 HydrophobicContact CE2-CD1 4.03Å; F17-L21 HydrophobicContact CG-CD1 4.33Å; F17-L21 HydrophobicContact CZ-CD1 3.42Å; F17-L21 VanDerWaalsContact CZ-CD1 3.42Å; F17-L21 HydrophobicContact CZ-CG 4.32Å; F17-L21 WeakPolarHBondContact O-CB 3.38Å; F17-L21 PolarHBondContact O-N 2.96Å; L21-F24 PolarHBondContact O-N 3.22Å; L21-F25 WeakPolarHBondContact O-CB 3.46Å; L21-F25 PolarHBondContact O-N 3.24Å; L21-M66 HydrophobicContact CD2-CE 4.38Å |
| 22 | R | 60.7 | Low | 56.4 | Low | 156 Ų | 156 | 90 Ų | 90 | 59% | 0.589 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.7 | -45.1 | 178.1 | -74.6 | 176.9 | -179.7 | -173.3 | 2.2 | 112.4 | I18 I19 F20 F24 F25 V26 | I18-R22 HydrophobicContact CG2-CG 4.32Å; I18-R22 VanDerWaalsContact CG2-NE 3.34Å; I18-R22 VanDerWaalsContact O-CB 3.28Å; I18-R22 WeakPolarHBondContact O-CB 3.23Å; I18-R22 WeakPolarHBondContact O-CG 3.17Å; I18-R22 PolarHBondContact O-N 3Å; I19-R22 PolarHBondContact O-N 3.49Å; F20-R22 VanDerWaalsContact C-N 3.25Å; F20-R22 PolarHBondContact O-N 3.45Å; R22-F24 VanDerWaalsContact C-N 3.29Å; R22-F24 PolarHBondContact O-N 3.39Å; R22-F25 PolarHBondContact O-N 2.85Å; R22-V26 WeakPolarHBondContact O-CB 3.44Å; R22-V26 WeakPolarHBondContact O-CG2 3.46Å; R22-V26 PolarHBondContact O-N 3.26Å |
| 23 | C | 61.8 | Low | 57.5 | Low | 17 Ų | 17 | 84.9 Ų | 84.9 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60 | -40 | 175.5 | -67 | 0 | 0 | 0 | 0 | 111.9 | I19 F20 L27 L41 | I19-C23 PolarHBondContact O-N 3.11Å; I19-C23 PolarHBondContact O-SG 3.03Å; F20-C23 PolarHBondContact O-N 3.38Å; C23-L27 WeakPolarHBondContact O-CG 3.39Å; C23-L27 PolarHBondContact O-N 3.48Å; C23-L41 HydrophobicContact CB-CD2 4.09Å |
| 24 | F | 59.7 | Low | 59.1 | Low | 25 Ų | 25 | 82.8 Ų | 82.8 | 11% | 0.11 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.8 | -37.3 | 176.8 | -93.8 | -103.1 | 0 | 0 | 0 | 113.5 | F20 L21 R22 V26 L27 K28 L45 Y71 | F20-F24 HydrophobicContact CD1-CD2 4.25Å; F20-F24 HydrophobicContact CD2-CD2 4.04Å; F20-F24 AromaticContact CD2-CE2 3.98Å; F20-F24 HydrophobicContact CD2-CE2 3.98Å; F20-F24 AromaticContact CE1-CD2 3.79Å; F20-F24 HydrophobicContact CE1-CD2 3.79Å; F20-F24 AromaticContact CE1-CE2 3.95Å; F20-F24 HydrophobicContact CE1-CE2 3.95Å; F20-F24 HydrophobicContact CE1-CG 4.26Å; F20-F24 HydrophobicContact CE1-CZ 4.48Å; F20-F24 AromaticContact CE2-CD2 3.56Å; F20-F24 HydrophobicContact CE2-CD2 3.56Å; F20-F24 AromaticContact CE2-CE2 3.11Å; F20-F24 HydrophobicContact CE2-CE2 3.11Å; F20-F24 AromaticContact CE2-CZ 3.94Å; F20-F24 HydrophobicContact CE2-CZ 3.94Å; F20-F24 HydrophobicContact CG-CD2 4.36Å; F20-F24 AromaticContact CZ-CD2 3.44Å; F20-F24 HydrophobicContact CZ-CD2 3.44Å; F20-F24 VanDerWaalsContact CZ-CD2 3.44Å; F20-F24 HydrophobicContact CZ-CE1 4.3Å; F20-F24 AromaticContact CZ-CE2 3.11Å; F20-F24 HydrophobicContact CZ-CE2 3.11Å; F20-F24 HydrophobicContact CZ-CG 4.2Å; F20-F24 AromaticContact CZ-CZ 3.59Å; F20-F24 HydrophobicContact CZ-CZ 3.59Å; F20-F24 PolarHBondContact O-N 3.34Å; L21-F24 PolarHBondContact O-N 3.22Å; R22-F24 VanDerWaalsContact C-N 3.29Å; R22-F24 PolarHBondContact O-N 3.39Å; F24-V26 VanDerWaalsContact C-N 3.3Å; F24-L27 PolarHBondContact O-N 3.41Å; F24-K28 PolarHBondContact O-N 3.26Å; F24-L45 HydrophobicContact CE2-CD1 4.3Å; F24-L45 HydrophobicContact CE2-CD2 4.28Å; F24-Y71 HydrophobicContact CD1-CD2 4.04Å; F24-Y71 HydrophobicContact CD1-CG 4.09Å; F24-Y71 AromaticContact CE1-CD2 3.77Å; F24-Y71 HydrophobicContact CE1-CD2 3.77Å; F24-Y71 AromaticContact CE1-CG 3.9Å; F24-Y71 HydrophobicContact CE1-CG 3.9Å |
| 25 | F | 59.6 | Low | 60.3 | Low | 117 Ų | 117 | 80.8 Ų | 80.8 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 174.2 | -159.4 | -112.3 | 0 | 0 | 0 | 110.1 | L21 R22 L27 K28 Y29 | L21-F25 WeakPolarHBondContact O-CB 3.46Å; L21-F25 PolarHBondContact O-N 3.24Å; R22-F25 PolarHBondContact O-N 2.85Å; F25-L27 PolarHBondContact O-N 3.02Å; F25-K28 VanDerWaalsContact O-CB 3.26Å; F25-K28 WeakPolarHBondContact O-CB 2.83Å; F25-K28 PolarHBondContact O-N 3.42Å; F25-K28 VanDerWaalsContact O-N 3.07Å; F25-Y29 HydrophobicContact CD1-CD2 4.36Å; F25-Y29 AromaticContact CD1-CE2 3.48Å; F25-Y29 HydrophobicContact CD1-CE2 3.48Å; F25-Y29 VanDerWaalsContact CD1-CE2 3.48Å; F25-Y29 HydrophobicContact CE1-CD2 4.5Å; F25-Y29 AromaticContact CE1-CE2 3.29Å; F25-Y29 HydrophobicContact CE1-CE2 3.29Å; F25-Y29 AromaticContact CE1-CZ 3.65Å; F25-Y29 WeakPolarHBondContact CE1-OH 3.17Å; F25-Y29 HydrophobicContact CE2-CE2 4.38Å; F25-Y29 HydrophobicContact CG-CE2 4.11Å; F25-Y29 AromaticContact CZ-CE2 3.77Å; F25-Y29 HydrophobicContact CZ-CE2 3.77Å; F25-Y29 AromaticContact CZ-CZ 3.87Å; F25-Y29 WeakPolarHBondContact CZ-OH 3.35Å; F25-Y29 WeakPolarHBondContact O-CD2 3.36Å |
| 26 | V | 57.2 | Low | 61.6 | Low | 51 Ų | 51 | 81 Ų | 81 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 174.3 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | R22 F24 K28 Y29 C32 V37 L41 | R22-V26 WeakPolarHBondContact O-CB 3.44Å; R22-V26 WeakPolarHBondContact O-CG2 3.46Å; R22-V26 PolarHBondContact O-N 3.26Å; F24-V26 VanDerWaalsContact C-N 3.3Å; V26-K28 PolarHBondContact O-N 3.03Å; V26-K28 VanDerWaalsContact O-N 3.12Å; V26-Y29 PolarHBondContact O-N 2.62Å; V26-C32 HydrophobicContact CG1-CB 3.6Å; V26-C32 VanDerWaalsContact O-CB 3.27Å; V26-C32 WeakPolarHBondContact O-CB 3.29Å; V26-V37 HydrophobicContact CG1-CG1 4.5Å; V26-L41 HydrophobicContact CB-CD1 4.41Å; V26-L41 HydrophobicContact CG1-CD1 3.76Å |
| 27 | L | 58.4 | Low | 62.8 | Low | 13 Ų | 13 | 80 Ų | 80 | 7% | 0.068 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.6 | -20.9 | 176.5 | -70.6 | 172.3 | 0 | 0 | 0 | 113.8 | C23 F24 F25 R33 I38 L41 | C23-L27 WeakPolarHBondContact O-CG 3.39Å; C23-L27 PolarHBondContact O-N 3.48Å; F24-L27 PolarHBondContact O-N 3.41Å; F25-L27 PolarHBondContact O-N 3.02Å; L27-R33 PolarHBondContact O-NE 3.44Å; L27-I38 HydrophobicContact CD2-CG1 4.15Å; L27-L41 HydrophobicContact CD2-CB 4.47Å; L27-L41 HydrophobicContact CD2-CD1 3.57Å; L27-L41 HydrophobicContact CG-CD1 3.86Å |
| 28 | K | 57.1 | Low | 63.8 | Low | 141 Ų | 141 | 75.1 Ų | 75.1 | 61% | 0.613 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -75.8 | -33.4 | 179.8 | -151 | -180 | 178.6 | -173.7 | 0 | 112.3 | F24 F25 V26 R33 | F24-K28 PolarHBondContact O-N 3.26Å; F25-K28 VanDerWaalsContact O-CB 3.26Å; F25-K28 WeakPolarHBondContact O-CB 2.83Å; F25-K28 PolarHBondContact O-N 3.42Å; F25-K28 VanDerWaalsContact O-N 3.07Å; V26-K28 PolarHBondContact O-N 3.03Å; V26-K28 VanDerWaalsContact O-N 3.12Å; K28-R33 PolarHBondContact O-NH2 3.38Å |
| 29 | Y | 60.9 | Low | 65 | Low | 121 Ų | 121 | 72.4 Ų | 72.4 | 48% | 0.475 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -78.1 | 131.4 | -178.9 | -71.8 | -86.8 | 0 | 0 | 0 | 112.2 | F25 V26 H31 C32 | F25-Y29 HydrophobicContact CD1-CD2 4.36Å; F25-Y29 AromaticContact CD1-CE2 3.48Å; F25-Y29 HydrophobicContact CD1-CE2 3.48Å; F25-Y29 VanDerWaalsContact CD1-CE2 3.48Å; F25-Y29 HydrophobicContact CE1-CD2 4.5Å; F25-Y29 AromaticContact CE1-CE2 3.29Å; F25-Y29 HydrophobicContact CE1-CE2 3.29Å; F25-Y29 AromaticContact CE1-CZ 3.65Å; F25-Y29 WeakPolarHBondContact CE1-OH 3.17Å; F25-Y29 HydrophobicContact CE2-CE2 4.38Å; F25-Y29 HydrophobicContact CG-CE2 4.11Å; F25-Y29 AromaticContact CZ-CE2 3.77Å; F25-Y29 HydrophobicContact CZ-CE2 3.77Å; F25-Y29 AromaticContact CZ-CZ 3.87Å; F25-Y29 WeakPolarHBondContact CZ-OH 3.35Å; F25-Y29 WeakPolarHBondContact O-CD2 3.36Å; V26-Y29 PolarHBondContact O-N 2.62Å; Y29-H31 VanDerWaalsContact C-N 3.3Å; Y29-H31 PolarHBondContact O-N 3.02Å; Y29-C32 PolarHBondContact O-N 3.21Å; Y29-C32 VanDerWaalsContact O-N 3.14Å |
| 30 | W | 55.9 | Low | 66.1 | Low | 183 Ų | 183 | 73.7 Ų | 73.7 | 69% | 0.693 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -56 | -41.1 | -177.8 | -176.9 | -100.6 | 0 | 0 | 0 | 113.2 | C32 R33 | W30-C32 PolarHBondContact O-N 3.3Å; W30-R33 WeakPolarHBondContact O-CB 3.48Å; W30-R33 PolarHBondContact O-N 2.95Å |
| 31 | H | 56.2 | Low | 67.1 | Low | 168 Ų | 168 | 73.7 Ų | 73.7 | 78% | 0.778 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -66.6 | -17.4 | -178.8 | -59.8 | -65.7 | 0 | 0 | 0 | 114.5 | Y29 | Y29-H31 VanDerWaalsContact C-N 3.3Å; Y29-H31 PolarHBondContact O-N 3.02Å |
| 32 | C | 57.9 | Low | 68.3 | Low | 38 Ų | 38 | 70.2 Ų | 70.2 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -97.5 | 12.3 | -179.9 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | V26 Y29 W30 V37 | V26-C32 HydrophobicContact CG1-CB 3.6Å; V26-C32 VanDerWaalsContact O-CB 3.27Å; V26-C32 WeakPolarHBondContact O-CB 3.29Å; Y29-C32 PolarHBondContact O-N 3.21Å; Y29-C32 VanDerWaalsContact O-N 3.14Å; W30-C32 PolarHBondContact O-N 3.3Å; C32-V37 HydrophobicContact CB-CG1 4.35Å; C32-V37 WeakPolarHBondContact O-CB 3.21Å; C32-V37 WeakPolarHBondContact O-CG1 3.39Å |
| 33 | R | 67.2 | Low | 69.3 | Low | 75 Ų | 75 | 68.9 Ų | 68.9 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | trans | -97.4 | 21 | -176.4 | -63.2 | -172.2 | -177.9 | 172.8 | 10.1 | 114.6 | L27 K28 W30 I38 Q79 | L27-R33 PolarHBondContact O-NE 3.44Å; K28-R33 PolarHBondContact O-NH2 3.38Å; W30-R33 WeakPolarHBondContact O-CB 3.48Å; W30-R33 PolarHBondContact O-N 2.95Å; R33-I38 HydrophobicContact CB-CD1 4.25Å; R33-Q79 PolarHBondContact O-NE2 3.31Å | ||
| 34 | T | 78.7 | Confident | 70.2 | Confident | 63 Ų | 63 | 71.5 Ų | 71.5 | 39% | 0.387 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -66.6 | 153.7 | 171.9 | 81.2 | 0 | 0 | 0 | 0 | 110 | E36 V37 I38 | T34-E36 WeakPolarHBondContact CB-OE2 3.17Å; T34-E36 PolarHBondContact O-N 3.1Å; T34-E36 PolarHBondContact OG1-OE2 2.81Å; T34-V37 PolarHBondContact O-N 3.48Å; T34-V37 WeakPolarHBondContact OG1-CG2 3.39Å; T34-V37 PolarHBondContact OG1-N 2.85Å; T34-I38 WeakPolarHBondContact O-CG1 3.28Å; T34-I38 PolarHBondContact O-N 3Å |
| 35 | A | 76.2 | Confident | 71.2 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.2 | -35.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T39 V88 M89 S92 | A35-T39 WeakPolarHBondContact O-CB 3.41Å; A35-T39 PolarHBondContact O-N 3.31Å; A35-T39 PolarHBondContact O-OG1 2.92Å; A35-V88 HydrophobicContact CB-CG1 3.86Å; A35-M89 HydrophobicContact CB-CE 4.18Å; A35-S92 WeakPolarHBondContact O-CB 3.25Å; A35-S92 PolarHBondContact O-OG 2.9Å |
| 36 | E | 80.8 | Confident | 72.1 | Confident | 110 Ų | 110 | 66.2 Ų | 66.2 | 51% | 0.514 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68 | -47.1 | 178.4 | -53.1 | 84 | 176.6 | 0 | 0 | 112.2 | T34 I38 T39 L40 V88 | T34-E36 WeakPolarHBondContact CB-OE2 3.17Å; T34-E36 PolarHBondContact O-N 3.1Å; T34-E36 PolarHBondContact OG1-OE2 2.81Å; E36-I38 VanDerWaalsContact C-N 3.32Å; E36-I38 PolarHBondContact O-N 2.95Å; E36-T39 WeakPolarHBondContact O-CB 3.13Å; E36-T39 PolarHBondContact O-N 2.78Å; E36-L40 WeakPolarHBondContact O-CB 3.4Å; E36-L40 PolarHBondContact O-N 3.33Å; E36-V88 HydrophobicContact CG-CG1 4.02Å |
| 37 | V | 80.6 | Confident | 73.1 | Confident | 48 Ų | 48 | 70.3 Ų | 70.3 | 29% | 0.291 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | -179.6 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | V26 C32 T34 L40 L41 | V26-V37 HydrophobicContact CG1-CG1 4.5Å; C32-V37 HydrophobicContact CB-CG1 4.35Å; C32-V37 WeakPolarHBondContact O-CB 3.21Å; C32-V37 WeakPolarHBondContact O-CG1 3.39Å; T34-V37 PolarHBondContact O-N 3.48Å; T34-V37 WeakPolarHBondContact OG1-CG2 3.39Å; T34-V37 PolarHBondContact OG1-N 2.85Å; V37-L40 PolarHBondContact O-N 3.11Å; V37-L41 HydrophobicContact CG1-CD1 3.82Å; V37-L41 HydrophobicContact CG1-CG 4.36Å; V37-L41 WeakPolarHBondContact O-CB 3.18Å; V37-L41 VanDerWaalsContact O-CG 3.27Å; V37-L41 WeakPolarHBondContact O-CG 3.26Å; V37-L41 PolarHBondContact O-N 3.45Å |
| 38 | I | 79.2 | Confident | 73.8 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 176.6 | -70.3 | 178.8 | 0 | 0 | 0 | 111.1 | L27 R33 T34 E36 L40 L41 A42 Q79 L96 | L27-I38 HydrophobicContact CD2-CG1 4.15Å; R33-I38 HydrophobicContact CB-CD1 4.25Å; T34-I38 WeakPolarHBondContact O-CG1 3.28Å; T34-I38 PolarHBondContact O-N 3Å; E36-I38 VanDerWaalsContact C-N 3.32Å; E36-I38 PolarHBondContact O-N 2.95Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 3.18Å; I38-L41 PolarHBondContact O-N 2.75Å; I38-A42 WeakPolarHBondContact O-CB 3.3Å; I38-A42 PolarHBondContact O-N 3.22Å; I38-Q79 HydrophobicContact CD1-CG 3.66Å; I38-Q79 VanDerWaalsContact CD1-NE2 3.29Å; I38-Q79 HydrophobicContact CG2-CG 4.45Å; I38-L96 HydrophobicContact CG2-CD1 4.04Å; I38-L96 HydrophobicContact CG2-CD2 3.84Å; I38-L96 HydrophobicContact CG2-CG 4.38Å |
| 39 | T | 81.7 | Confident | 74.6 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 175.5 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | A35 E36 A42 R43 S92 T95 | A35-T39 WeakPolarHBondContact O-CB 3.41Å; A35-T39 PolarHBondContact O-N 3.31Å; A35-T39 PolarHBondContact O-OG1 2.92Å; E36-T39 WeakPolarHBondContact O-CB 3.13Å; E36-T39 PolarHBondContact O-N 2.78Å; T39-A42 PolarHBondContact O-N 3.27Å; T39-R43 WeakPolarHBondContact O-CB 3.35Å; T39-R43 WeakPolarHBondContact O-CG 3.45Å; T39-R43 PolarHBondContact O-N 3.08Å; T39-S92 WeakPolarHBondContact OG1-CA 3.42Å; T39-S92 VanDerWaalsContact OG1-CB 3.28Å; T39-S92 WeakPolarHBondContact OG1-CB 3.38Å; T39-S92 PolarHBondContact OG1-OG 3.06Å; T39-T95 HydrophobicContact CG2-CG2 4.43Å |
| 40 | L | 81.7 | Confident | 74.9 | Confident | 106 Ų | 106 | 62.7 Ų | 62.7 | 56% | 0.555 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.3 | -48.7 | 178.5 | -178.5 | 66 | 0 | 0 | 0 | 111.4 | E36 V37 I38 A42 R43 I44 | E36-L40 WeakPolarHBondContact O-CB 3.4Å; E36-L40 PolarHBondContact O-N 3.33Å; V37-L40 PolarHBondContact O-N 3.11Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 3.18Å; L40-A42 PolarHBondContact O-N 2.62Å; L40-R43 PolarHBondContact O-N 3.15Å; L40-I44 HydrophobicContact CD1-CD1 4.37Å; L40-I44 HydrophobicContact CG-CD1 4.03Å; L40-I44 VanDerWaalsContact O-CG1 3.28Å; L40-I44 WeakPolarHBondContact O-CG1 3.37Å; L40-I44 PolarHBondContact O-N 3.39Å |
| 41 | L | 81.4 | Confident | 75.1 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 178.9 | -70 | 170.5 | 0 | 0 | 0 | 112.3 | C23 V26 L27 V37 I38 I44 L45 | C23-L41 HydrophobicContact CB-CD2 4.09Å; V26-L41 HydrophobicContact CB-CD1 4.41Å; V26-L41 HydrophobicContact CG1-CD1 3.76Å; L27-L41 HydrophobicContact CD2-CB 4.47Å; L27-L41 HydrophobicContact CD2-CD1 3.57Å; L27-L41 HydrophobicContact CG-CD1 3.86Å; V37-L41 HydrophobicContact CG1-CD1 3.82Å; V37-L41 HydrophobicContact CG1-CG 4.36Å; V37-L41 WeakPolarHBondContact O-CB 3.18Å; V37-L41 VanDerWaalsContact O-CG 3.27Å; V37-L41 WeakPolarHBondContact O-CG 3.26Å; V37-L41 PolarHBondContact O-N 3.45Å; I38-L41 PolarHBondContact O-N 2.75Å; L41-I44 PolarHBondContact O-N 3.47Å; L41-L45 WeakPolarHBondContact O-CB 3.19Å; L41-L45 WeakPolarHBondContact O-CG 3.38Å; L41-L45 PolarHBondContact O-N 2.85Å |
| 42 | A | 80.9 | Confident | 75.5 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I38 T39 L40 L45 I46 T95 V99 | I38-A42 WeakPolarHBondContact O-CB 3.3Å; I38-A42 PolarHBondContact O-N 3.22Å; T39-A42 PolarHBondContact O-N 3.27Å; L40-A42 PolarHBondContact O-N 2.62Å; A42-L45 PolarHBondContact O-N 3.13Å; A42-I46 VanDerWaalsContact O-CG1 3.24Å; A42-I46 WeakPolarHBondContact O-CG1 3.41Å; A42-I46 PolarHBondContact O-N 3.22Å; A42-T95 HydrophobicContact CB-CG2 3.59Å; A42-V99 HydrophobicContact CB-CG1 3.97Å |
| 43 | R | 82.5 | Confident | 75.9 | Confident | 128 Ų | 128 | 55.4 Ų | 55.4 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 173.1 | -73.1 | 178.7 | -175.7 | -168 | -1.3 | 112.1 | T39 L40 L45 I46 E47 N91 T95 | T39-R43 WeakPolarHBondContact O-CB 3.35Å; T39-R43 WeakPolarHBondContact O-CG 3.45Å; T39-R43 PolarHBondContact O-N 3.08Å; L40-R43 PolarHBondContact O-N 3.15Å; R43-L45 VanDerWaalsContact C-N 3.27Å; R43-L45 PolarHBondContact O-N 3.32Å; R43-I46 PolarHBondContact O-N 2.77Å; R43-I46 VanDerWaalsContact O-N 3.15Å; R43-E47 PolarHBondContact O-N 3.35Å; R43-N91 PolarHBondContact NH2-ND2 3.17Å; R43-N91 PolarHBondContact NH2-OD1 2.86Å; R43-T95 HydrophobicContact CG-CG2 3.75Å |
| 44 | I | 81.5 | Confident | 75.8 | Confident | 72 Ų | 72 | 58 Ų | 58 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.1 | -42.1 | 174.7 | -69.5 | 165.5 | 0 | 0 | 0 | 110.7 | L40 L41 Y48 | L40-I44 HydrophobicContact CD1-CD1 4.37Å; L40-I44 HydrophobicContact CG-CD1 4.03Å; L40-I44 VanDerWaalsContact O-CG1 3.28Å; L40-I44 WeakPolarHBondContact O-CG1 3.37Å; L40-I44 PolarHBondContact O-N 3.39Å; L41-I44 PolarHBondContact O-N 3.47Å; I44-Y48 VanDerWaalsContact O-CB 3.23Å; I44-Y48 WeakPolarHBondContact O-CB 3.44Å; I44-Y48 PolarHBondContact O-N 2.65Å |
| 45 | L | 79.7 | Confident | 75.3 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 176.1 | -76.7 | 171.7 | 0 | 0 | 0 | 112.4 | F20 F24 L41 A42 R43 Y48 I49 L72 V99 | F20-L45 HydrophobicContact CD2-CD2 4.14Å; F20-L45 HydrophobicContact CE2-CD2 4.09Å; F24-L45 HydrophobicContact CE2-CD1 4.3Å; F24-L45 HydrophobicContact CE2-CD2 4.28Å; L41-L45 WeakPolarHBondContact O-CB 3.19Å; L41-L45 WeakPolarHBondContact O-CG 3.38Å; L41-L45 PolarHBondContact O-N 2.85Å; A42-L45 PolarHBondContact O-N 3.13Å; R43-L45 VanDerWaalsContact C-N 3.27Å; R43-L45 PolarHBondContact O-N 3.32Å; L45-Y48 PolarHBondContact O-N 3.31Å; L45-I49 VanDerWaalsContact O-CB 3.29Å; L45-I49 WeakPolarHBondContact O-CB 3.11Å; L45-I49 WeakPolarHBondContact O-CD1 3.38Å; L45-I49 WeakPolarHBondContact O-CG1 3.2Å; L45-I49 PolarHBondContact O-N 3.09Å; L45-L72 HydrophobicContact CD1-CD2 4.26Å; L45-V99 HydrophobicContact CB-CG2 3.73Å |
| 46 | I | 79 | Confident | 75.1 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 175.7 | -70.4 | 163.8 | 0 | 0 | 0 | 110.5 | A42 R43 I49 N50 T95 K98 V99 L102 | A42-I46 VanDerWaalsContact O-CG1 3.24Å; A42-I46 WeakPolarHBondContact O-CG1 3.41Å; A42-I46 PolarHBondContact O-N 3.22Å; R43-I46 PolarHBondContact O-N 2.77Å; R43-I46 VanDerWaalsContact O-N 3.15Å; I46-I49 PolarHBondContact O-N 3.16Å; I46-N50 PolarHBondContact O-N 2.91Å; I46-T95 HydrophobicContact CD1-CG2 3.97Å; I46-K98 HydrophobicContact CD1-CB 4.35Å; I46-K98 HydrophobicContact CD1-CD 4.14Å; I46-K98 HydrophobicContact CD1-CG 4.2Å; I46-V99 HydrophobicContact CD1-CB 4.13Å; I46-V99 HydrophobicContact CG1-CB 3.79Å; I46-V99 HydrophobicContact CG1-CG2 3.76Å; I46-L102 HydrophobicContact CG1-CD1 4.19Å |
| 47 | E | 77.4 | Confident | 74.5 | Confident | 137 Ų | 137 | 60.6 Ų | 60.6 | 64% | 0.64 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 176.1 | -72.5 | -58 | 146.2 | 0 | 0 | 112.1 | R43 I49 N50 | R43-E47 PolarHBondContact O-N 3.35Å; E47-I49 VanDerWaalsContact C-N 3.28Å; E47-I49 PolarHBondContact O-N 3.37Å; E47-N50 WeakPolarHBondContact O-CB 3.24Å; E47-N50 PolarHBondContact O-N 2.82Å; E47-N50 VanDerWaalsContact O-N 3.09Å |
| 48 | Y | 73.8 | Confident | 74.1 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 18% | 0.184 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63 | -36.8 | 176.2 | 178.1 | -102.7 | 0 | 0 | 0 | 112.5 | H16 I44 L45 R59 I63 | H16-Y48 HydrophobicContact CB-CE2 4.24Å; I44-Y48 VanDerWaalsContact O-CB 3.23Å; I44-Y48 WeakPolarHBondContact O-CB 3.44Å; I44-Y48 PolarHBondContact O-N 2.65Å; L45-Y48 PolarHBondContact O-N 3.31Å; Y48-R59 HydrophobicContact CE1-CB 4.13Å; Y48-R59 HydrophobicContact CE1-CG 4.18Å; Y48-R59 WeakPolarHBondContact O-CD 2.89Å; Y48-R59 PolarHBondContact O-NH1 2.66Å; Y48-I63 HydrophobicContact CD1-CD1 4.48Å |
| 49 | I | 74 | Confident | 73.9 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.9 | -29.6 | 174.6 | -73 | 164.7 | 0 | 0 | 0 | 111 | L45 I46 E47 S56 L60 I63 V99 V103 | L45-I49 VanDerWaalsContact O-CB 3.29Å; L45-I49 WeakPolarHBondContact O-CB 3.11Å; L45-I49 WeakPolarHBondContact O-CD1 3.38Å; L45-I49 WeakPolarHBondContact O-CG1 3.2Å; L45-I49 PolarHBondContact O-N 3.09Å; I46-I49 PolarHBondContact O-N 3.16Å; E47-I49 VanDerWaalsContact C-N 3.28Å; E47-I49 PolarHBondContact O-N 3.37Å; I49-S56 WeakPolarHBondContact O-CB 3.36Å; I49-S56 PolarHBondContact O-OG 2.78Å; I49-L60 HydrophobicContact CD1-CD2 3.84Å; I49-L60 HydrophobicContact CG1-CD2 3.98Å; I49-L60 HydrophobicContact CG1-CG 4.46Å; I49-L60 HydrophobicContact CG2-CD1 4.03Å; I49-L60 HydrophobicContact CG2-CD2 3.69Å; I49-L60 HydrophobicContact CG2-CG 3.8Å; I49-I63 HydrophobicContact CD1-CD1 3.87Å; I49-I63 HydrophobicContact CG1-CD1 3.71Å; I49-V99 HydrophobicContact CD1-CG2 4.23Å; I49-V103 HydrophobicContact CD1-CG2 3.89Å |
| 50 | N | 67.5 | Low | 73.7 | Confident | 68 Ų | 68 | 68 Ų | 68 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | trans | 11.9 | 95.7 | -169 | -175.4 | -5.4 | 0 | 0 | 0 | 113.6 | I46 E47 S52 S53 S56 | I46-N50 PolarHBondContact O-N 2.91Å; E47-N50 WeakPolarHBondContact O-CB 3.24Å; E47-N50 PolarHBondContact O-N 2.82Å; E47-N50 VanDerWaalsContact O-N 3.09Å; N50-S52 PolarHBondContact O-N 3.05Å; N50-S52 WeakPolarHBondContact OD1-CB 3.47Å; N50-S52 PolarHBondContact OD1-N 3.44Å; N50-S52 PolarHBondContact OD1-OG 3.49Å; N50-S53 PolarHBondContact O-N 3.14Å; N50-S56 WeakPolarHBondContact O-CB 3.48Å; N50-S56 PolarHBondContact O-OG 3.13Å | ||
| 51 | P | 60.1 | Low | 73.3 | Confident | 88 Ų | 88 | 68.3 Ų | 68.3 | 57% | 0.571 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -16.2 | -171.8 | -24.6 | 32.3 | 0 | 0 | 0 | 115.9 | L102 | P51-L102 HydrophobicContact CG-CD2 4.22Š|
| 52 | S | 63.1 | Low | 73 | Confident | 108 Ų | 108 | 71.5 Ų | 71.5 | 76% | 0.755 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.7 | -172.2 | -30.1 | 0 | 0 | 0 | 0 | 115.2 | N50 | N50-S52 PolarHBondContact O-N 3.05Å; N50-S52 WeakPolarHBondContact OD1-CB 3.47Å; N50-S52 PolarHBondContact OD1-N 3.44Å; N50-S52 PolarHBondContact OD1-OG 3.49Å |
| 53 | S | 67.7 | Low | 72.7 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 28% | 0.28 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -112.7 | 147 | -175.1 | 97.7 | 0 | 0 | 0 | 0 | 112.8 | N50 E55 S56 | N50-S53 PolarHBondContact O-N 3.14Å; S53-E55 VanDerWaalsContact C-N 3.31Å; S53-E55 PolarHBondContact O-N 2.8Å; S53-S56 WeakPolarHBondContact O-CB 3.35Å; S53-S56 PolarHBondContact O-N 2.77Å; S53-S56 PolarHBondContact O-OG 2.83Å; S53-S56 PolarHBondContact OG-N 3.05Å; S53-S56 PolarHBondContact OG-OG 2.92Å |
| 54 | E | 64.7 | Low | 72.2 | Confident | 131 Ų | 131 | 66 Ų | 66 | 61% | 0.612 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -21.1 | 179.8 | -153.6 | 61.9 | 154.3 | 0 | 0 | 113.2 | S56 K57 | E54-S56 PolarHBondContact O-N 3.23Å; E54-K57 PolarHBondContact O-N 2.96Å; E54-K57 IonicContact OE1-NZ 3.52Å; E54-K57 PolarHBondContact OE1-NZ 3.41Å; E54-K57 WeakPolarHBondContact OE2-CD 3.48Å; E54-K57 WeakPolarHBondContact OE2-CE 3.35Å; E54-K57 IonicContact OE2-NZ 3.29Å; E54-K57 PolarHBondContact OE2-NZ 2.88Å |
| 55 | E | 68.2 | Low | 71.7 | Confident | 120 Ų | 120 | 71 Ų | 71 | 56% | 0.561 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.4 | -25 | 164.5 | -74.3 | -169.8 | 170.4 | 0 | 0 | 112.2 | S53 K57 Q58 R59 | S53-E55 VanDerWaalsContact C-N 3.31Å; S53-E55 PolarHBondContact O-N 2.8Å; E55-K57 PolarHBondContact O-N 3.29Å; E55-Q58 PolarHBondContact O-N 3.39Å; E55-R59 WeakPolarHBondContact O-CG 3.3Å; E55-R59 PolarHBondContact O-N 3.33Å; E55-R59 VanDerWaalsContact O-N 3.12Å; E55-R59 IonicContact OE2-CZ 3.67Å; E55-R59 IonicContact OE2-NH2 2.72Å; E55-R59 PolarHBondContact OE2-NH2 3.32Å |
| 56 | S | 70.9 | Confident | 71.4 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67 | -33.1 | -176.7 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | I49 N50 S53 E54 R59 L60 | I49-S56 WeakPolarHBondContact O-CB 3.36Å; I49-S56 PolarHBondContact O-OG 2.78Å; N50-S56 WeakPolarHBondContact O-CB 3.48Å; N50-S56 PolarHBondContact O-OG 3.13Å; S53-S56 WeakPolarHBondContact O-CB 3.35Å; S53-S56 PolarHBondContact O-N 2.77Å; S53-S56 PolarHBondContact O-OG 2.83Å; S53-S56 PolarHBondContact OG-N 3.05Å; S53-S56 PolarHBondContact OG-OG 2.92Å; E54-S56 PolarHBondContact O-N 3.23Å; S56-R59 PolarHBondContact O-N 3.46Å; S56-L60 WeakPolarHBondContact O-CB 3.28Å; S56-L60 WeakPolarHBondContact O-CG 3.43Å; S56-L60 PolarHBondContact O-N 3.31Å |
| 57 | K | 68.8 | Low | 71.3 | Confident | 115 Ų | 115 | 75.1 Ų | 75.1 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 175.7 | -73.1 | 178.6 | -174.8 | 155.1 | 0 | 111.3 | E54 E55 L60 Q61 | E54-K57 PolarHBondContact O-N 2.96Å; E54-K57 IonicContact OE1-NZ 3.52Å; E54-K57 PolarHBondContact OE1-NZ 3.41Å; E54-K57 WeakPolarHBondContact OE2-CD 3.48Å; E54-K57 WeakPolarHBondContact OE2-CE 3.35Å; E54-K57 IonicContact OE2-NZ 3.29Å; E54-K57 PolarHBondContact OE2-NZ 2.88Å; E55-K57 PolarHBondContact O-N 3.29Å; K57-L60 PolarHBondContact O-N 3.48Å; K57-Q61 WeakPolarHBondContact O-CB 3.08Å; K57-Q61 WeakPolarHBondContact O-CG 3.49Å; K57-Q61 PolarHBondContact O-N 2.98Å |
| 58 | Q | 72.1 | Confident | 71.2 | Confident | 145 Ų | 145 | 68.6 Ų | 68.6 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 176.6 | -63.7 | -177.6 | 4 | 0 | 0 | 111 | E55 Q61 L62 | E55-Q58 PolarHBondContact O-N 3.39Å; Q58-Q61 PolarHBondContact O-N 2.84Å; Q58-L62 WeakPolarHBondContact O-CB 3.26Å; Q58-L62 PolarHBondContact O-N 3.39Å |
| 59 | R | 76.2 | Confident | 71.3 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.2 | -47 | 174.7 | -66.1 | 174.4 | -169.3 | -177.2 | 5.2 | 111.4 | Y48 E55 S56 Q61 L62 I63 | Y48-R59 HydrophobicContact CE1-CB 4.13Å; Y48-R59 HydrophobicContact CE1-CG 4.18Å; Y48-R59 WeakPolarHBondContact O-CD 2.89Å; Y48-R59 PolarHBondContact O-NH1 2.66Å; E55-R59 WeakPolarHBondContact O-CG 3.3Å; E55-R59 PolarHBondContact O-N 3.33Å; E55-R59 VanDerWaalsContact O-N 3.12Å; E55-R59 IonicContact OE2-CZ 3.67Å; E55-R59 IonicContact OE2-NH2 2.72Å; E55-R59 PolarHBondContact OE2-NH2 3.32Å; S56-R59 PolarHBondContact O-N 3.46Å; R59-Q61 PolarHBondContact O-N 3.29Å; R59-L62 WeakPolarHBondContact O-CB 3.4Å; R59-L62 PolarHBondContact O-N 3.4Å; R59-I63 WeakPolarHBondContact O-CG1 3.46Å; R59-I63 PolarHBondContact O-N 3.42Å |
| 60 | L | 77.6 | Confident | 71.3 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 176.8 | -83 | 169.3 | 0 | 0 | 0 | 112.1 | I49 S56 K57 L62 I63 A64 V103 V106 | I49-L60 HydrophobicContact CD1-CD2 3.84Å; I49-L60 HydrophobicContact CG1-CD2 3.98Å; I49-L60 HydrophobicContact CG1-CG 4.46Å; I49-L60 HydrophobicContact CG2-CD1 4.03Å; I49-L60 HydrophobicContact CG2-CD2 3.69Å; I49-L60 HydrophobicContact CG2-CG 3.8Å; S56-L60 WeakPolarHBondContact O-CB 3.28Å; S56-L60 WeakPolarHBondContact O-CG 3.43Å; S56-L60 PolarHBondContact O-N 3.31Å; K57-L60 PolarHBondContact O-N 3.48Å; L60-L62 VanDerWaalsContact C-N 3.31Å; L60-L62 PolarHBondContact O-N 3.08Å; L60-I63 PolarHBondContact O-N 3.01Å; L60-A64 PolarHBondContact O-N 3.13Å; L60-V103 HydrophobicContact CD2-CG2 4.44Å; L60-V106 HydrophobicContact CB-CG1 4.22Å; L60-V106 HydrophobicContact CB-CG2 3.97Å |
| 61 | Q | 72 | Confident | 71.6 | Confident | 111 Ų | 111 | 68.6 Ų | 68.6 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 176.3 | -75.4 | 179.8 | -2.1 | 0 | 0 | 112 | K57 Q58 R59 A64 K65 | K57-Q61 WeakPolarHBondContact O-CB 3.08Å; K57-Q61 WeakPolarHBondContact O-CG 3.49Å; K57-Q61 PolarHBondContact O-N 2.98Å; Q58-Q61 PolarHBondContact O-N 2.84Å; R59-Q61 PolarHBondContact O-N 3.29Å; Q61-A64 PolarHBondContact O-N 2.7Å; Q61-K65 WeakPolarHBondContact O-CB 3.48Å; Q61-K65 WeakPolarHBondContact O-CG 3.34Å; Q61-K65 PolarHBondContact O-N 2.84Å |
| 62 | L | 75.7 | Confident | 72.4 | Confident | 82 Ų | 82 | 64.5 Ų | 64.5 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 174.5 | -174.8 | 67.2 | 0 | 0 | 0 | 111 | Q58 R59 L60 A64 K65 M66 | Q58-L62 WeakPolarHBondContact O-CB 3.26Å; Q58-L62 PolarHBondContact O-N 3.39Å; R59-L62 WeakPolarHBondContact O-CB 3.4Å; R59-L62 PolarHBondContact O-N 3.4Å; L60-L62 VanDerWaalsContact C-N 3.31Å; L60-L62 PolarHBondContact O-N 3.08Å; L62-A64 VanDerWaalsContact C-N 3.32Å; L62-A64 PolarHBondContact O-N 3.2Å; L62-K65 PolarHBondContact O-N 3.25Å; L62-M66 HydrophobicContact CG-SD 4.21Å; L62-M66 WeakPolarHBondContact O-CB 3.49Å; L62-M66 VanDerWaalsContact O-CG 3.26Å; L62-M66 WeakPolarHBondContact O-CG 3.48Å; L62-M66 PolarHBondContact O-N 3.29Å |
| 63 | I | 75.3 | Confident | 72.8 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 177.2 | -61.8 | 168.8 | 0 | 0 | 0 | 110.9 | F20 Y48 I49 R59 L60 M66 N67 G68 V103 | F20-I63 HydrophobicContact CD2-CG1 4.26Å; F20-I63 HydrophobicContact CE2-CB 4.28Å; F20-I63 HydrophobicContact CE2-CD1 4.16Å; F20-I63 HydrophobicContact CE2-CG1 3.55Å; F20-I63 HydrophobicContact CE2-CG2 4.03Å; F20-I63 HydrophobicContact CZ-CB 4.31Å; F20-I63 HydrophobicContact CZ-CG1 3.99Å; F20-I63 HydrophobicContact CZ-CG2 4.01Å; Y48-I63 HydrophobicContact CD1-CD1 4.48Å; I49-I63 HydrophobicContact CD1-CD1 3.87Å; I49-I63 HydrophobicContact CG1-CD1 3.71Å; R59-I63 WeakPolarHBondContact O-CG1 3.46Å; R59-I63 PolarHBondContact O-N 3.42Å; L60-I63 PolarHBondContact O-N 3.01Å; I63-M66 PolarHBondContact O-N 2.85Å; I63-N67 PolarHBondContact O-N 3.46Å; I63-G68 WeakPolarHBondContact O-CA 3.31Å; I63-G68 PolarHBondContact O-N 3.22Å; I63-V103 HydrophobicContact CB-CG1 4.47Å; I63-V103 HydrophobicContact CG2-CB 4.36Å; I63-V103 HydrophobicContact CG2-CG1 3.58Å; I63-V103 HydrophobicContact CG2-CG2 3.76Å |
| 64 | A | 71.4 | Confident | 73.1 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L60 Q61 L62 M66 N67 V106 D107 | L60-A64 PolarHBondContact O-N 3.13Å; Q61-A64 PolarHBondContact O-N 2.7Å; L62-A64 VanDerWaalsContact C-N 3.32Å; L62-A64 PolarHBondContact O-N 3.2Å; A64-M66 PolarHBondContact O-N 2.73Å; A64-N67 PolarHBondContact O-N 3.41Å; A64-V106 HydrophobicContact CB-CG2 3.8Å; A64-D107 HydrophobicContact CB-CB 4.19Å |
| 65 | K | 71.5 | Confident | 73.6 | Confident | 179 Ų | 179 | 57.5 Ų | 57.5 | 78% | 0.778 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58.4 | -35 | 173.4 | -77.2 | -177.3 | 179.5 | -176.4 | 0 | 111.9 | Q61 L62 N67 | Q61-K65 WeakPolarHBondContact O-CB 3.48Å; Q61-K65 WeakPolarHBondContact O-CG 3.34Å; Q61-K65 PolarHBondContact O-N 2.84Å; L62-K65 PolarHBondContact O-N 3.25Å; K65-N67 PolarHBondContact O-N 2.86Å |
| 66 | M | 73.4 | Confident | 73.8 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 28% | 0.281 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 11 | 175.5 | -66 | -178.5 | 77.9 | 0 | 0 | 114.1 | F17 F20 L21 L62 I63 A64 G68 | F17-M66 HydrophobicContact CE2-CE 4.26Å; F20-M66 HydrophobicContact CD1-CE 3.68Å; F20-M66 HydrophobicContact CD1-SD 3.69Å; F20-M66 HydrophobicContact CE1-CB 4.19Å; F20-M66 HydrophobicContact CE1-CE 3.51Å; F20-M66 HydrophobicContact CE1-CG 4.44Å; F20-M66 HydrophobicContact CE1-SD 3.37Å; F20-M66 WeakPolarHBondContact CE1-SD 3.42Å; F20-M66 HydrophobicContact CZ-SD 4.31Å; L21-M66 HydrophobicContact CD2-CE 4.38Å; L62-M66 HydrophobicContact CG-SD 4.21Å; L62-M66 WeakPolarHBondContact O-CB 3.49Å; L62-M66 VanDerWaalsContact O-CG 3.26Å; L62-M66 WeakPolarHBondContact O-CG 3.48Å; L62-M66 PolarHBondContact O-N 3.29Å; I63-M66 PolarHBondContact O-N 2.85Å; A64-M66 PolarHBondContact O-N 2.73Å; M66-G68 PolarHBondContact O-N 3.34Å |
| 67 | N | 76.3 | Confident | 73.7 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 32% | 0.316 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 26.5 | -178.6 | -161 | 26.9 | 0 | 0 | 0 | 114.1 | I63 A64 K65 A69 S70 Y71 K113 | I63-N67 PolarHBondContact O-N 3.46Å; A64-N67 PolarHBondContact O-N 3.41Å; K65-N67 PolarHBondContact O-N 2.86Å; N67-A69 PolarHBondContact O-N 3.19Å; N67-S70 PolarHBondContact O-N 3.44Å; N67-S70 VanDerWaalsContact OD1-CB 3.25Å; N67-S70 WeakPolarHBondContact OD1-CB 3.27Å; N67-Y71 HydrophobicContact CB-CE2 4.44Å; N67-Y71 VanDerWaalsContact O-CD2 3.32Å; N67-Y71 WeakPolarHBondContact O-CD2 3.35Å; N67-K113 WeakPolarHBondContact OD1-CE 3.44Å; N67-K113 PolarHBondContact OD1-NZ 3.37Å |
| 68 | G | 75.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -53.4 | -39.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I63 M66 S70 Y71 L72 | I63-G68 WeakPolarHBondContact O-CA 3.31Å; I63-G68 PolarHBondContact O-N 3.22Å; M66-G68 PolarHBondContact O-N 3.34Å; G68-S70 VanDerWaalsContact C-N 3.3Å; G68-S70 PolarHBondContact O-N 3.01Å; G68-Y71 PolarHBondContact O-N 2.79Å; G68-Y71 VanDerWaalsContact O-N 3.14Å; G68-L72 WeakPolarHBondContact O-CG 3.4Å; G68-L72 PolarHBondContact O-N 3.16Å |
| 69 | A | 75.8 | Confident | 73.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -34.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N67 A73 V103 D107 F110 K113 | N67-A69 PolarHBondContact O-N 3.19Å; A69-A73 WeakPolarHBondContact O-CB 3.13Å; A69-A73 PolarHBondContact O-N 3.13Å; A69-V103 HydrophobicContact CB-CG1 4.11Å; A69-D107 HydrophobicContact CB-CB 4.29Å; A69-D107 WeakPolarHBondContact CB-OD2 3.33Å; A69-F110 HydrophobicContact CB-CD2 3.84Å; A69-F110 HydrophobicContact CB-CE2 4.29Å; A69-K113 HydrophobicContact CB-CD 4.33Å |
| 70 | S | 73.1 | Confident | 73.4 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.5 | -36.3 | 177.1 | -174.2 | 0 | 0 | 0 | 0 | 111.9 | N67 G68 K74 | N67-S70 PolarHBondContact O-N 3.44Å; N67-S70 VanDerWaalsContact OD1-CB 3.25Å; N67-S70 WeakPolarHBondContact OD1-CB 3.27Å; G68-S70 VanDerWaalsContact C-N 3.3Å; G68-S70 PolarHBondContact O-N 3.01Å; S70-K74 VanDerWaalsContact O-CG 3.29Å; S70-K74 WeakPolarHBondContact O-CG 3.31Å; S70-K74 PolarHBondContact O-N 3.21Å |
| 71 | Y | 73.8 | Confident | 72.9 | Confident | 96 Ų | 96 | 50.2 Ų | 50.2 | 38% | 0.376 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -73.5 | -45.4 | 177.7 | -70.9 | -75.4 | 0 | 0 | 0 | 111.9 | F24 N67 G68 A73 K74 S75 | F24-Y71 HydrophobicContact CD1-CD2 4.04Å; F24-Y71 HydrophobicContact CD1-CG 4.09Å; F24-Y71 AromaticContact CE1-CD2 3.77Å; F24-Y71 HydrophobicContact CE1-CD2 3.77Å; F24-Y71 AromaticContact CE1-CG 3.9Å; F24-Y71 HydrophobicContact CE1-CG 3.9Å; N67-Y71 HydrophobicContact CB-CE2 4.44Å; N67-Y71 VanDerWaalsContact O-CD2 3.32Å; N67-Y71 WeakPolarHBondContact O-CD2 3.35Å; G68-Y71 PolarHBondContact O-N 2.79Å; G68-Y71 VanDerWaalsContact O-N 3.14Å; Y71-A73 PolarHBondContact O-N 3.04Å; Y71-K74 CarbonylContact O-C 3.6Å; Y71-K74 PolarHBondContact O-N 2.93Å; Y71-S75 PolarHBondContact O-N 3.45Å; Y71-S75 PolarHBondContact O-OG 3.28Å |
| 72 | L | 77.9 | Confident | 72.9 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.2 | -42 | 175.1 | -71 | 173.7 | 0 | 0 | 0 | 111 | L45 G68 S75 L76 L96 V99 T100 V103 | L45-L72 HydrophobicContact CD1-CD2 4.26Å; G68-L72 WeakPolarHBondContact O-CG 3.4Å; G68-L72 PolarHBondContact O-N 3.16Å; L72-S75 PolarHBondContact O-N 2.71Å; L72-L76 VanDerWaalsContact O-CB 3.29Å; L72-L76 WeakPolarHBondContact O-CB 3.08Å; L72-L76 PolarHBondContact O-N 3.37Å; L72-L96 HydrophobicContact CD2-CD1 4.08Å; L72-V99 HydrophobicContact CD1-CG1 4.15Å; L72-V99 HydrophobicContact CD2-CG1 3.69Å; L72-T100 HydrophobicContact CB-CG2 4.18Å; L72-T100 WeakPolarHBondContact CB-OG1 3.35Å; L72-V103 HydrophobicContact CD1-CB 3.83Å; L72-V103 HydrophobicContact CD1-CG1 4.24Å; L72-V103 HydrophobicContact CD1-CG2 3.67Å |
| 73 | A | 71.9 | Confident | 72.7 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.6 | -56.4 | 168 | 0 | 0 | 0 | 0 | 0 | 111.2 | A69 Y71 S75 L76 R77 L119 | A69-A73 WeakPolarHBondContact O-CB 3.13Å; A69-A73 PolarHBondContact O-N 3.13Å; Y71-A73 PolarHBondContact O-N 3.04Å; A73-S75 VanDerWaalsContact C-N 3.27Å; A73-S75 PolarHBondContact O-N 3.43Å; A73-S75 VanDerWaalsContact O-N 3.17Å; A73-L76 WeakPolarHBondContact O-CB 3.29Å; A73-L76 PolarHBondContact O-N 3.26Å; A73-R77 PolarHBondContact O-N 2.94Å; A73-L119 HydrophobicContact CB-CD1 3.44Å; A73-L119 VanDerWaalsContact CB-CD1 3.44Å; A73-L119 WeakPolarHBondContact O-CD1 3.43Å |
| 74 | K | 73.4 | Confident | 72.7 | Confident | 119 Ų | 119 | 52.9 Ų | 52.9 | 52% | 0.517 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.3 | -39.8 | 179.5 | -73.3 | 169.7 | -175 | 178.5 | 0 | 113.5 | S70 Y71 R77 S78 | S70-K74 VanDerWaalsContact O-CG 3.29Å; S70-K74 WeakPolarHBondContact O-CG 3.31Å; S70-K74 PolarHBondContact O-N 3.21Å; Y71-K74 CarbonylContact O-C 3.6Å; Y71-K74 PolarHBondContact O-N 2.93Å; K74-R77 PolarHBondContact O-N 3.31Å; K74-S78 PolarHBondContact O-N 2.96Å |
| 75 | S | 74.6 | Confident | 72.4 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 8% | 0.077 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 175 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | Y71 L72 A73 R77 S78 Q79 | Y71-S75 PolarHBondContact O-N 3.45Å; Y71-S75 PolarHBondContact O-OG 3.28Å; L72-S75 PolarHBondContact O-N 2.71Å; A73-S75 VanDerWaalsContact C-N 3.27Å; A73-S75 PolarHBondContact O-N 3.43Å; A73-S75 VanDerWaalsContact O-N 3.17Å; S75-R77 VanDerWaalsContact C-N 3.32Å; S75-R77 PolarHBondContact O-N 3.41Å; S75-S78 WeakPolarHBondContact O-CB 3.36Å; S75-S78 PolarHBondContact O-N 3.41Å; S75-S78 VanDerWaalsContact O-N 3.13Å; S75-Q79 PolarHBondContact O-N 3.25Å |
| 76 | L | 72.6 | Confident | 72.6 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -38.4 | 179.1 | -176.1 | 67.3 | 0 | 0 | 0 | 111.7 | L72 A73 S78 Q79 L80 L93 L96 I97 L119 L122 | L72-L76 VanDerWaalsContact O-CB 3.29Å; L72-L76 WeakPolarHBondContact O-CB 3.08Å; L72-L76 PolarHBondContact O-N 3.37Å; A73-L76 WeakPolarHBondContact O-CB 3.29Å; A73-L76 PolarHBondContact O-N 3.26Å; L76-S78 VanDerWaalsContact C-N 3.35Å; L76-Q79 PolarHBondContact O-N 3.44Å; L76-L80 PolarHBondContact O-N 3.2Å; L76-L93 HydrophobicContact CD1-CD2 3.76Å; L76-L96 HydrophobicContact CB-CD2 3.7Å; L76-L96 HydrophobicContact CB-CG 4.03Å; L76-L96 HydrophobicContact CD1-CB 4.07Å; L76-L96 HydrophobicContact CD1-CD2 3.71Å; L76-L96 HydrophobicContact CD1-CG 3.87Å; L76-L96 HydrophobicContact CG-CD2 4.36Å; L76-I97 HydrophobicContact CD1-CG1 3.96Å; L76-I97 HydrophobicContact CD2-CG1 4.21Å; L76-L119 HydrophobicContact CB-CD1 4.11Å; L76-L119 HydrophobicContact CB-CD2 4.45Å; L76-L119 HydrophobicContact CD2-CD1 4.32Å; L76-L119 HydrophobicContact CD2-CD2 4.35Å; L76-L119 HydrophobicContact CG-CD1 4.48Å; L76-L119 HydrophobicContact CG-CD2 4.18Å; L76-L122 HydrophobicContact CD1-CD1 3.58Å; L76-L122 HydrophobicContact CD2-CB 3.99Å; L76-L122 HydrophobicContact CD2-CD1 3.58Å; L76-L122 HydrophobicContact CD2-CG 4.48Å; L76-L122 HydrophobicContact CG-CD1 3.37Å |
| 77 | R | 69.1 | Low | 72.6 | Confident | 114 Ų | 114 | 48.7 Ų | 48.7 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 171.9 | -171.9 | -161.9 | 178.9 | 146.4 | -12.5 | 111.2 | A73 K74 S75 L80 Q81 G117 L119 | A73-R77 PolarHBondContact O-N 2.94Å; K74-R77 PolarHBondContact O-N 3.31Å; S75-R77 VanDerWaalsContact C-N 3.32Å; S75-R77 PolarHBondContact O-N 3.41Å; R77-L80 PolarHBondContact O-N 3.47Å; R77-Q81 WeakPolarHBondContact O-CG 3.38Å; R77-Q81 PolarHBondContact O-N 3.47Å; R77-Q81 VanDerWaalsContact O-N 3.09Å; R77-G117 VanDerWaalsContact CD-O 3.25Å; R77-G117 WeakPolarHBondContact CD-O 3.5Å; R77-G117 PolarHBondContact NH1-O 3.45Å; R77-L119 HydrophobicContact CB-CD1 4.08Å; R77-L119 HydrophobicContact CB-CD2 3.87Å; R77-L119 HydrophobicContact CB-CG 3.93Å; R77-L119 HydrophobicContact CG-CD2 4.5Å |
| 78 | S | 72.2 | Confident | 72.6 | Confident | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 179.1 | -165.1 | 0 | 0 | 0 | 0 | 111.6 | K74 S75 L76 Q81 | K74-S78 PolarHBondContact O-N 2.96Å; S75-S78 WeakPolarHBondContact O-CB 3.36Å; S75-S78 PolarHBondContact O-N 3.41Å; S75-S78 VanDerWaalsContact O-N 3.13Å; L76-S78 VanDerWaalsContact C-N 3.35Å; S78-Q81 PolarHBondContact O-N 2.88Å |
| 79 | Q | 73 | Confident | 72.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 177 | -72.9 | -62.9 | -78.3 | 0 | 0 | 112 | R33 I38 S75 L76 Q81 I82 Y83 M89 S92 L93 L96 | R33-Q79 PolarHBondContact O-NE2 3.31Å; I38-Q79 HydrophobicContact CD1-CG 3.66Å; I38-Q79 VanDerWaalsContact CD1-NE2 3.29Å; I38-Q79 HydrophobicContact CG2-CG 4.45Å; S75-Q79 PolarHBondContact O-N 3.25Å; L76-Q79 PolarHBondContact O-N 3.44Å; Q79-Q81 VanDerWaalsContact C-N 3.27Å; Q79-Q81 PolarHBondContact O-N 3.48Å; Q79-I82 CarbonylContact O-C 3.47Å; Q79-I82 WeakPolarHBondContact O-CG1 3.49Å; Q79-I82 PolarHBondContact O-N 3.18Å; Q79-I82 VanDerWaalsContact O-N 3.16Å; Q79-Y83 PolarHBondContact O-N 3.49Å; Q79-M89 HydrophobicContact CB-SD 4.26Å; Q79-S92 PolarHBondContact OE1-OG 3.23Å; Q79-L93 HydrophobicContact CB-CD2 3.76Å; Q79-L96 HydrophobicContact CG-CD2 4.15Å |
| 80 | L | 65.3 | Low | 72.4 | Confident | 49 Ų | 49 | 52.7 Ų | 52.7 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.2 | -36.6 | 174.3 | -83 | -178.9 | 0 | 0 | 0 | 113.6 | L76 R77 I82 Y83 L93 L119 L122 | L76-L80 PolarHBondContact O-N 3.2Å; R77-L80 PolarHBondContact O-N 3.47Å; L80-I82 PolarHBondContact O-N 2.78Å; L80-Y83 WeakPolarHBondContact O-CB 3.45Å; L80-Y83 PolarHBondContact O-N 3.23Å; L80-L93 HydrophobicContact CD2-CD1 4.06Å; L80-L93 HydrophobicContact CD2-CD2 4.2Å; L80-L93 HydrophobicContact CG-CD2 4.26Å; L80-L119 HydrophobicContact CD1-CD2 3.81Å; L80-L122 HydrophobicContact CD1-CD1 3.18Å; L80-L122 HydrophobicContact CD1-CG 3.77Å; L80-L122 HydrophobicContact CD2-CD1 3.82Å; L80-L122 HydrophobicContact CD2-CG 4.37Å; L80-L122 HydrophobicContact CG-CD1 3.48Å; L80-L122 VanDerWaalsContact CG-CD1 3.48Å; L80-L122 HydrophobicContact CG-CG 4.37Å |
| 81 | Q | 67.1 | Low | 72.6 | Confident | 123 Ų | 123 | 55 Ų | 55 | 58% | 0.575 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.1 | -37.1 | 178.9 | -77.6 | 176.3 | -29.2 | 0 | 0 | 111.4 | R77 S78 Q79 K143 | R77-Q81 WeakPolarHBondContact O-CG 3.38Å; R77-Q81 PolarHBondContact O-N 3.47Å; R77-Q81 VanDerWaalsContact O-N 3.09Å; S78-Q81 PolarHBondContact O-N 2.88Å; Q79-Q81 VanDerWaalsContact C-N 3.27Å; Q79-Q81 PolarHBondContact O-N 3.48Å; Q81-K143 PolarHBondContact O-NZ 3.41Å |
| 82 | I | 72.8 | Confident | 72.8 | Confident | 91 Ų | 91 | 50.5 Ų | 50.5 | 47% | 0.467 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 13.5 | 179.8 | 65.9 | 171.9 | 0 | 0 | 0 | 113.6 | Q79 L80 D84 M89 | Q79-I82 CarbonylContact O-C 3.47Å; Q79-I82 WeakPolarHBondContact O-CG1 3.49Å; Q79-I82 PolarHBondContact O-N 3.18Å; Q79-I82 VanDerWaalsContact O-N 3.16Å; L80-I82 PolarHBondContact O-N 2.78Å; I82-D84 PolarHBondContact O-N 3.11Å; I82-M89 HydrophobicContact CD1-CE 4.18Å; I82-M89 HydrophobicContact CG1-CE 3.9Å |
| 83 | Y | 71.1 | Confident | 72.6 | Confident | 52 Ų | 52 | 51.1 Ų | 51.1 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | trans | -60 | 126.4 | -179.4 | -178.6 | -100.5 | 0 | 0 | 0 | 111.9 | Q79 L80 M89 N90 L93 | Q79-Y83 PolarHBondContact O-N 3.49Å; L80-Y83 WeakPolarHBondContact O-CB 3.45Å; L80-Y83 PolarHBondContact O-N 3.23Å; Y83-M89 HydrophobicContact CD2-CB 4.32Å; Y83-M89 HydrophobicContact CD2-CG 3.26Å; Y83-M89 HydrophobicContact CD2-SD 4.39Å; Y83-M89 HydrophobicContact CE2-CB 4.43Å; Y83-M89 HydrophobicContact CE2-CG 3.76Å; Y83-M89 HydrophobicContact CG-CG 4.21Å; Y83-N90 VanDerWaalsContact CE2-OD1 3.28Å; Y83-N90 WeakPolarHBondContact CE2-OD1 3.27Å; Y83-N90 PolarHBondContact OH-OD1 3.21Å; Y83-L93 HydrophobicContact CD2-CD1 3.42Å; Y83-L93 VanDerWaalsContact CD2-CD1 3.42Å; Y83-L93 HydrophobicContact CE2-CD1 3.66Å; Y83-L93 HydrophobicContact CG-CD1 4.45Å | ||
| 84 | D | 75.6 | Confident | 72.5 | Confident | 108 Ų | 108 | 53.8 Ų | 53.8 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | trans | -120 | -1.6 | -175.7 | 66.7 | -6.8 | 0 | 0 | 0 | 114 | I82 S86 M89 | I82-D84 PolarHBondContact O-N 3.11Å; D84-S86 VanDerWaalsContact C-N 3.31Å; D84-S86 PolarHBondContact O-N 3.27Å; D84-S86 VanDerWaalsContact OD1-CB 3.27Å; D84-S86 WeakPolarHBondContact OD1-CB 3.04Å; D84-S86 PolarHBondContact OD1-N 3.08Å; D84-S86 PolarHBondContact OD1-OG 3.09Å; D84-S86 PolarHBondContact OD2-OG 3.31Å; D84-M89 WeakPolarHBondContact OD1-CB 3.46Å | ||
| 85 | G | 65.2 | Low | 72.6 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | trans | 81.5 | 0.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 86 | S | 75.6 | Confident | 72.8 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | trans | -66.3 | 151.8 | 179 | 66.4 | 0 | 0 | 0 | 0 | 112.3 | D84 V88 M89 N90 | D84-S86 VanDerWaalsContact C-N 3.31Å; D84-S86 PolarHBondContact O-N 3.27Å; D84-S86 VanDerWaalsContact OD1-CB 3.27Å; D84-S86 WeakPolarHBondContact OD1-CB 3.04Å; D84-S86 PolarHBondContact OD1-N 3.08Å; D84-S86 PolarHBondContact OD1-OG 3.09Å; D84-S86 PolarHBondContact OD2-OG 3.31Å; S86-V88 PolarHBondContact O-N 2.84Å; S86-M89 PolarHBondContact O-N 2.97Å; S86-M89 VanDerWaalsContact O-N 3.1Å; S86-M89 VanDerWaalsContact OG-CB 3.25Å; S86-M89 WeakPolarHBondContact OG-CB 3.4Å; S86-M89 PolarHBondContact OG-N 2.84Å; S86-N90 PolarHBondContact O-N 3.49Å | ||
| 87 | A | 72.7 | Confident | 72.7 | Confident | 81 Ų | 81 | 49.6 Ų | 49.6 | 67% | 0.669 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58.1 | -34.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N90 N91 | A87-N90 PolarHBondContact O-N 2.84Å; A87-N91 WeakPolarHBondContact O-CB 3.32Å; A87-N91 PolarHBondContact O-N 2.99Å |
| 88 | V | 76.4 | Confident | 72.9 | Confident | 66 Ų | 66 | 50.2 Ų | 50.2 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 175.9 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | A35 E36 S86 N91 S92 | A35-V88 HydrophobicContact CB-CG1 3.86Å; E36-V88 HydrophobicContact CG-CG1 4.02Å; S86-V88 PolarHBondContact O-N 2.84Å; V88-N91 PolarHBondContact O-N 3.2Å; V88-S92 WeakPolarHBondContact O-CB 3.44Å; V88-S92 PolarHBondContact O-N 2.92Å |
| 89 | M | 76.2 | Confident | 73.1 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 177.5 | -174.9 | 62.5 | 65.9 | 0 | 0 | 111.9 | A35 Q79 I82 Y83 D84 S86 N91 S92 L93 | A35-M89 HydrophobicContact CB-CE 4.18Å; Q79-M89 HydrophobicContact CB-SD 4.26Å; I82-M89 HydrophobicContact CD1-CE 4.18Å; I82-M89 HydrophobicContact CG1-CE 3.9Å; Y83-M89 HydrophobicContact CD2-CB 4.32Å; Y83-M89 HydrophobicContact CD2-CG 3.26Å; Y83-M89 HydrophobicContact CD2-SD 4.39Å; Y83-M89 HydrophobicContact CE2-CB 4.43Å; Y83-M89 HydrophobicContact CE2-CG 3.76Å; Y83-M89 HydrophobicContact CG-CG 4.21Å; D84-M89 WeakPolarHBondContact OD1-CB 3.46Å; S86-M89 PolarHBondContact O-N 2.97Å; S86-M89 VanDerWaalsContact O-N 3.1Å; S86-M89 VanDerWaalsContact OG-CB 3.25Å; S86-M89 WeakPolarHBondContact OG-CB 3.4Å; S86-M89 PolarHBondContact OG-N 2.84Å; M89-N91 PolarHBondContact O-N 2.66Å; M89-S92 PolarHBondContact O-N 3.45Å; M89-L93 HydrophobicContact CG-CD1 4.44Å; M89-L93 WeakPolarHBondContact O-CG 3.37Å; M89-L93 PolarHBondContact O-N 3.08Å; M89-L93 HydrophobicContact SD-CG 4.41Å |
| 90 | N | 71.5 | Confident | 73.3 | Confident | 69 Ų | 69 | 50 Ų | 50 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.9 | -47 | 175.1 | -72.2 | -20.2 | 0 | 0 | 0 | 111.5 | Y83 S86 A87 S92 L93 A94 | Y83-N90 VanDerWaalsContact CE2-OD1 3.28Å; Y83-N90 WeakPolarHBondContact CE2-OD1 3.27Å; Y83-N90 PolarHBondContact OH-OD1 3.21Å; S86-N90 PolarHBondContact O-N 3.49Å; A87-N90 PolarHBondContact O-N 2.84Å; N90-S92 VanDerWaalsContact C-N 3.34Å; N90-S92 PolarHBondContact O-N 2.83Å; N90-L93 PolarHBondContact O-N 3.47Å; N90-A94 WeakPolarHBondContact O-CB 3.4Å; N90-A94 PolarHBondContact O-N 3.46Å |
| 91 | N | 75.8 | Confident | 73.3 | Confident | 70 Ų | 70 | 50.2 Ų | 50.2 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 176.6 | -177.4 | 25.9 | 0 | 0 | 0 | 112.2 | R43 A87 V88 M89 A94 T95 | R43-N91 PolarHBondContact NH2-ND2 3.17Å; R43-N91 PolarHBondContact NH2-OD1 2.86Å; A87-N91 WeakPolarHBondContact O-CB 3.32Å; A87-N91 PolarHBondContact O-N 2.99Å; V88-N91 PolarHBondContact O-N 3.2Å; M89-N91 PolarHBondContact O-N 2.66Å; N91-A94 PolarHBondContact O-N 2.54Å; N91-T95 WeakPolarHBondContact O-CB 3.12Å; N91-T95 PolarHBondContact O-N 3Å; N91-T95 PolarHBondContact O-OG1 3.09Å; N91-T95 PolarHBondContact OD1-OG1 2.85Å |
| 92 | S | 78.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.2 | -49.2 | 176 | -170.2 | 0 | 0 | 0 | 0 | 112 | A35 T39 Q79 V88 M89 N90 T95 L96 | A35-S92 WeakPolarHBondContact O-CB 3.25Å; A35-S92 PolarHBondContact O-OG 2.9Å; T39-S92 WeakPolarHBondContact OG1-CA 3.42Å; T39-S92 VanDerWaalsContact OG1-CB 3.28Å; T39-S92 WeakPolarHBondContact OG1-CB 3.38Å; T39-S92 PolarHBondContact OG1-OG 3.06Å; Q79-S92 PolarHBondContact OE1-OG 3.23Å; V88-S92 WeakPolarHBondContact O-CB 3.44Å; V88-S92 PolarHBondContact O-N 2.92Å; M89-S92 PolarHBondContact O-N 3.45Å; N90-S92 VanDerWaalsContact C-N 3.34Å; N90-S92 PolarHBondContact O-N 2.83Å; S92-T95 PolarHBondContact O-N 3.46Å; S92-L96 WeakPolarHBondContact O-CB 3.32Å; S92-L96 PolarHBondContact O-N 2.82Å |
| 93 | L | 73.7 | Confident | 73.7 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 175.4 | -71.5 | 179.5 | 0 | 0 | 0 | 111.3 | L76 Q79 L80 Y83 M89 N90 T95 L96 I97 | L76-L93 HydrophobicContact CD1-CD2 3.76Å; Q79-L93 HydrophobicContact CB-CD2 3.76Å; L80-L93 HydrophobicContact CD2-CD1 4.06Å; L80-L93 HydrophobicContact CD2-CD2 4.2Å; L80-L93 HydrophobicContact CG-CD2 4.26Å; Y83-L93 HydrophobicContact CD2-CD1 3.42Å; Y83-L93 VanDerWaalsContact CD2-CD1 3.42Å; Y83-L93 HydrophobicContact CE2-CD1 3.66Å; Y83-L93 HydrophobicContact CG-CD1 4.45Å; M89-L93 HydrophobicContact CG-CD1 4.44Å; M89-L93 WeakPolarHBondContact O-CG 3.37Å; M89-L93 PolarHBondContact O-N 3.08Å; M89-L93 HydrophobicContact SD-CG 4.41Å; N90-L93 PolarHBondContact O-N 3.47Å; L93-T95 PolarHBondContact O-N 3.07Å; L93-L96 PolarHBondContact O-N 2.74Å; L93-I97 WeakPolarHBondContact O-CB 3.4Å; L93-I97 WeakPolarHBondContact O-CD1 3.37Å; L93-I97 WeakPolarHBondContact O-CG1 3.46Å; L93-I97 PolarHBondContact O-N 2.95Å |
| 94 | A | 70 | Confident | 73.7 | Confident | 57 Ų | 57 | 40.3 Ų | 40.3 | 47% | 0.471 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N90 N91 K98 | N90-A94 WeakPolarHBondContact O-CB 3.4Å; N90-A94 PolarHBondContact O-N 3.46Å; N91-A94 PolarHBondContact O-N 2.54Å; A94-K98 PolarHBondContact O-N 2.76Å |
| 95 | T | 76.3 | Confident | 73.4 | Confident | 14 Ų | 14 | 38.5 Ų | 38.5 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 178.7 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | T39 A42 R43 I46 N91 S92 L93 K98 V99 | T39-T95 HydrophobicContact CG2-CG2 4.43Å; A42-T95 HydrophobicContact CB-CG2 3.59Å; R43-T95 HydrophobicContact CG-CG2 3.75Å; I46-T95 HydrophobicContact CD1-CG2 3.97Å; N91-T95 WeakPolarHBondContact O-CB 3.12Å; N91-T95 PolarHBondContact O-N 3Å; N91-T95 PolarHBondContact O-OG1 3.09Å; N91-T95 PolarHBondContact OD1-OG1 2.85Å; S92-T95 PolarHBondContact O-N 3.46Å; L93-T95 PolarHBondContact O-N 3.07Å; T95-K98 WeakPolarHBondContact O-CB 3.34Å; T95-K98 PolarHBondContact O-N 2.82Å; T95-V99 PolarHBondContact O-N 3.39Å; T95-V99 VanDerWaalsContact O-N 3.07Å |
| 96 | L | 77.9 | Confident | 73.6 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.6 | -37 | -178.6 | -171.8 | 61.2 | 0 | 0 | 0 | 112 | I38 L72 L76 Q79 S92 L93 V99 T100 | I38-L96 HydrophobicContact CG2-CD1 4.04Å; I38-L96 HydrophobicContact CG2-CD2 3.84Å; I38-L96 HydrophobicContact CG2-CG 4.38Å; L72-L96 HydrophobicContact CD2-CD1 4.08Å; L76-L96 HydrophobicContact CB-CD2 3.7Å; L76-L96 HydrophobicContact CB-CG 4.03Å; L76-L96 HydrophobicContact CD1-CB 4.07Å; L76-L96 HydrophobicContact CD1-CD2 3.71Å; L76-L96 HydrophobicContact CD1-CG 3.87Å; L76-L96 HydrophobicContact CG-CD2 4.36Å; Q79-L96 HydrophobicContact CG-CD2 4.15Å; S92-L96 WeakPolarHBondContact O-CB 3.32Å; S92-L96 PolarHBondContact O-N 2.82Å; L93-L96 PolarHBondContact O-N 2.74Å; L96-V99 HydrophobicContact CD1-CG1 4.26Å; L96-V99 WeakPolarHBondContact O-CG1 3.39Å; L96-T100 VanDerWaalsContact O-CB 3.28Å; L96-T100 WeakPolarHBondContact O-CB 3.44Å; L96-T100 PolarHBondContact O-N 3.46Å; L96-T100 PolarHBondContact O-OG1 2.72Å |
| 97 | I | 70.9 | Confident | 73.4 | Confident | 32 Ų | 32 | 38.6 Ų | 38.6 | 16% | 0.164 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.1 | -58.7 | 168.6 | -69.5 | 164 | 0 | 0 | 0 | 107.9 | L76 L93 V99 T100 L101 L122 | L76-I97 HydrophobicContact CD1-CG1 3.96Å; L76-I97 HydrophobicContact CD2-CG1 4.21Å; L93-I97 WeakPolarHBondContact O-CB 3.4Å; L93-I97 WeakPolarHBondContact O-CD1 3.37Å; L93-I97 WeakPolarHBondContact O-CG1 3.46Å; L93-I97 PolarHBondContact O-N 2.95Å; I97-V99 VanDerWaalsContact C-N 3.32Å; I97-V99 PolarHBondContact O-N 2.95Å; I97-V99 VanDerWaalsContact O-N 3.16Å; I97-T100 WeakPolarHBondContact O-CA 3.49Å; I97-T100 WeakPolarHBondContact O-CB 3.46Å; I97-T100 PolarHBondContact O-N 2.63Å; I97-L101 HydrophobicContact CG2-CD1 3.79Å; I97-L101 HydrophobicContact CG2-CG 4.09Å; I97-L101 VanDerWaalsContact O-CG 3.28Å; I97-L101 WeakPolarHBondContact O-CG 3.25Å; I97-L101 PolarHBondContact O-N 3.32Å; I97-L122 HydrophobicContact CD1-CD2 3.77Å; I97-L122 HydrophobicContact CG1-CD2 4.43Å |
| 98 | K | 74 | Confident | 73.2 | Confident | 128 Ų | 128 | 39 Ų | 39 | 56% | 0.557 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -48.7 | -48.6 | -177.3 | -172.8 | 173.6 | -178.6 | 176.6 | 0 | 113.1 | I46 A94 T95 L101 L102 | I46-K98 HydrophobicContact CD1-CB 4.35Å; I46-K98 HydrophobicContact CD1-CD 4.14Å; I46-K98 HydrophobicContact CD1-CG 4.2Å; A94-K98 PolarHBondContact O-N 2.76Å; T95-K98 WeakPolarHBondContact O-CB 3.34Å; T95-K98 PolarHBondContact O-N 2.82Å; K98-L101 PolarHBondContact O-N 3.24Å; K98-L102 WeakPolarHBondContact O-CG 3.33Å; K98-L102 PolarHBondContact O-N 2.91Å; K98-L102 VanDerWaalsContact O-N 3.14Å |
| 99 | V | 76.6 | Confident | 72.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.4 | -35.6 | 179 | 83 | 0 | 0 | 0 | 0 | 113 | A42 L45 I46 I49 L72 T95 L96 I97 L101 L102 V103 | A42-V99 HydrophobicContact CB-CG1 3.97Å; L45-V99 HydrophobicContact CB-CG2 3.73Å; I46-V99 HydrophobicContact CD1-CB 4.13Å; I46-V99 HydrophobicContact CG1-CB 3.79Å; I46-V99 HydrophobicContact CG1-CG2 3.76Å; I49-V99 HydrophobicContact CD1-CG2 4.23Å; L72-V99 HydrophobicContact CD1-CG1 4.15Å; L72-V99 HydrophobicContact CD2-CG1 3.69Å; T95-V99 PolarHBondContact O-N 3.39Å; T95-V99 VanDerWaalsContact O-N 3.07Å; L96-V99 HydrophobicContact CD1-CG1 4.26Å; L96-V99 WeakPolarHBondContact O-CG1 3.39Å; I97-V99 VanDerWaalsContact C-N 3.32Å; I97-V99 PolarHBondContact O-N 2.95Å; I97-V99 VanDerWaalsContact O-N 3.16Å; V99-L101 PolarHBondContact O-N 3.44Å; V99-L102 PolarHBondContact O-N 3.17Å; V99-V103 WeakPolarHBondContact O-CG2 3.36Å; V99-V103 PolarHBondContact O-N 2.84Å; V99-V103 VanDerWaalsContact O-N 3.09Å |
| 100 | T | 76 | Confident | 72.4 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -37.5 | 174.4 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | L72 L96 I97 G104 F110 | L72-T100 HydrophobicContact CB-CG2 4.18Å; L72-T100 WeakPolarHBondContact CB-OG1 3.35Å; L96-T100 VanDerWaalsContact O-CB 3.28Å; L96-T100 WeakPolarHBondContact O-CB 3.44Å; L96-T100 PolarHBondContact O-N 3.46Å; L96-T100 PolarHBondContact O-OG1 2.72Å; I97-T100 WeakPolarHBondContact O-CA 3.49Å; I97-T100 WeakPolarHBondContact O-CB 3.46Å; I97-T100 PolarHBondContact O-N 2.63Å; T100-G104 WeakPolarHBondContact O-CA 3.36Å; T100-G104 PolarHBondContact O-N 2.8Å; T100-F110 HydrophobicContact CG2-CE2 3.78Å; T100-F110 HydrophobicContact CG2-CZ 3.94Å |
| 101 | L | 66.8 | Low | 71.7 | Confident | 53 Ų | 53 | 45 Ų | 45 | 28% | 0.277 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.5 | -44.1 | 179.1 | -57.3 | -178.1 | 0 | 0 | 0 | 112.3 | I97 K98 V99 V103 G104 G105 F110 V126 | I97-L101 HydrophobicContact CG2-CD1 3.79Å; I97-L101 HydrophobicContact CG2-CG 4.09Å; I97-L101 VanDerWaalsContact O-CG 3.28Å; I97-L101 WeakPolarHBondContact O-CG 3.25Å; I97-L101 PolarHBondContact O-N 3.32Å; K98-L101 PolarHBondContact O-N 3.24Å; V99-L101 PolarHBondContact O-N 3.44Å; L101-V103 VanDerWaalsContact C-N 3.31Å; L101-V103 PolarHBondContact O-N 2.95Å; L101-G104 PolarHBondContact O-N 3.42Å; L101-G105 PolarHBondContact O-N 3.04Å; L101-F110 HydrophobicContact CD2-CE1 4.5Å; L101-F110 HydrophobicContact CD2-CZ 4.27Å; L101-V126 HydrophobicContact CB-CG2 4.45Å; L101-V126 HydrophobicContact CD1-CG2 3.2Å; L101-V126 HydrophobicContact CD2-CB 3.71Å; L101-V126 HydrophobicContact CD2-CG1 3.91Å; L101-V126 HydrophobicContact CD2-CG2 3.11Å; L101-V126 HydrophobicContact CG-CG2 3.61Å |
| 102 | L | 73.7 | Confident | 70.9 | Confident | 50 Ų | 50 | 45.5 Ų | 45.5 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.4 | -46.8 | 175.8 | -75.6 | 168 | 0 | 0 | 0 | 111.4 | I46 P51 K98 V99 | I46-L102 HydrophobicContact CG1-CD1 4.19Å; P51-L102 HydrophobicContact CG-CD2 4.22Å; K98-L102 WeakPolarHBondContact O-CG 3.33Å; K98-L102 PolarHBondContact O-N 2.91Å; K98-L102 VanDerWaalsContact O-N 3.14Å; V99-L102 PolarHBondContact O-N 3.17Å |
| 103 | V | 74.4 | Confident | 70.1 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.9 | -37.8 | 178 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | I49 L60 I63 A69 L72 V99 L101 G105 V106 | I49-V103 HydrophobicContact CD1-CG2 3.89Å; L60-V103 HydrophobicContact CD2-CG2 4.44Å; I63-V103 HydrophobicContact CB-CG1 4.47Å; I63-V103 HydrophobicContact CG2-CB 4.36Å; I63-V103 HydrophobicContact CG2-CG1 3.58Å; I63-V103 HydrophobicContact CG2-CG2 3.76Å; A69-V103 HydrophobicContact CB-CG1 4.11Å; L72-V103 HydrophobicContact CD1-CB 3.83Å; L72-V103 HydrophobicContact CD1-CG1 4.24Å; L72-V103 HydrophobicContact CD1-CG2 3.67Å; V99-V103 WeakPolarHBondContact O-CG2 3.36Å; V99-V103 PolarHBondContact O-N 2.84Å; V99-V103 VanDerWaalsContact O-N 3.09Å; L101-V103 VanDerWaalsContact C-N 3.31Å; L101-V103 PolarHBondContact O-N 2.95Å; V103-G105 VanDerWaalsContact C-N 3.27Å; V103-G105 PolarHBondContact O-N 2.56Å; V103-V106 VanDerWaalsContact O-CG2 3.22Å; V103-V106 WeakPolarHBondContact O-CG2 3.25Å; V103-V106 PolarHBondContact O-N 3.34Å |
| 104 | G | 70.7 | Confident | 69.6 | Low | 6 Ų | 6 | 46.7 Ų | 46.7 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -30.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T100 L101 V106 D107 F110 | T100-G104 WeakPolarHBondContact O-CA 3.36Å; T100-G104 PolarHBondContact O-N 2.8Å; L101-G104 PolarHBondContact O-N 3.42Å; G104-V106 PolarHBondContact O-N 2.94Å; G104-D107 PolarHBondContact O-N 2.99Å; G104-F110 VanDerWaalsContact CA-CG 3.47Å; G104-F110 WeakPolarHBondContact O-CB 3.49Å |
| 105 | G | 68.2 | Low | 68.7 | Low | 71 Ų | 71 | 50.3 Ų | 50.3 | 73% | 0.732 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L101 V103 | L101-G105 PolarHBondContact O-N 3.04Å; V103-G105 VanDerWaalsContact C-N 3.27Å; V103-G105 PolarHBondContact O-N 2.56Å |
| 106 | V | 70.5 | Confident | 67.6 | Low | 64 Ų | 64 | 57.6 Ų | 57.6 | 39% | 0.388 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -2.4 | 177.6 | -67.2 | 0 | 0 | 0 | 0 | 113.3 | L60 A64 V103 G104 | L60-V106 HydrophobicContact CB-CG1 4.22Å; L60-V106 HydrophobicContact CB-CG2 3.97Å; A64-V106 HydrophobicContact CB-CG2 3.8Å; V103-V106 VanDerWaalsContact O-CG2 3.22Å; V103-V106 WeakPolarHBondContact O-CG2 3.25Å; V103-V106 PolarHBondContact O-N 3.34Å; G104-V106 PolarHBondContact O-N 2.94Å |
| 107 | D | 70.2 | Confident | 66.3 | Low | 17 Ų | 17 | 58 Ų | 58 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | trans | -97.5 | 104.3 | -178.3 | -175.4 | -19.2 | 0 | 0 | 0 | 110.3 | A64 A69 G104 R109 F110 K113 | A64-D107 HydrophobicContact CB-CB 4.19Å; A69-D107 HydrophobicContact CB-CB 4.29Å; A69-D107 WeakPolarHBondContact CB-OD2 3.33Å; G104-D107 PolarHBondContact O-N 2.99Å; D107-R109 PolarHBondContact O-N 2.86Å; D107-R109 PolarHBondContact OD1-N 3.4Å; D107-F110 HydrophobicContact CB-CB 4.17Å; D107-F110 VanDerWaalsContact O-CB 3.25Å; D107-F110 WeakPolarHBondContact O-CB 3.25Å; D107-F110 PolarHBondContact O-N 3Å; D107-F110 PolarHBondContact OD1-N 2.91Å; D107-K113 IonicContact OD1-NZ 2.72Å; D107-K113 PolarHBondContact OD1-NZ 2.58Å; D107-K113 VanDerWaalsContact OD2-CD 3.31Å; D107-K113 WeakPolarHBondContact OD2-CD 3.47Å; D107-K113 WeakPolarHBondContact OD2-CE 3.36Å; D107-K113 IonicContact OD2-NZ 2.91Å; D107-K113 PolarHBondContact OD2-NZ 3.2Å | ||
| 108 | G | 68.5 | Low | 65.3 | Low | 88 Ų | 88 | 58.9 Ų | 58.9 | 91% | 0.907 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -11.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 109 | R | 70.2 | Confident | 64.4 | Low | 181 Ų | 181 | 53 Ų | 53 | 68% | 0.683 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 14 | 175.7 | -61.8 | -176.7 | -174.8 | 176.1 | 3.5 | 112.8 | D107 Y111 L112 K113 | D107-R109 PolarHBondContact O-N 2.86Å; D107-R109 PolarHBondContact OD1-N 3.4Å; R109-Y111 VanDerWaalsContact C-N 3.29Å; R109-Y111 PolarHBondContact O-N 3.44Å; R109-L112 PolarHBondContact O-N 3.44Å; R109-L112 VanDerWaalsContact O-N 3.08Å; R109-K113 WeakPolarHBondContact O-CG 3.43Å; R109-K113 PolarHBondContact O-N 3.29Å |
| 110 | F | 67.1 | Low | 63 | Low | 16 Ų | 16 | 54.3 Ų | 54.3 | 7% | 0.07 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -51.8 | -46.7 | -177.4 | -179 | -124.9 | 0 | 0 | 0 | 112.8 | A69 T100 L101 G104 D107 L112 K113 V114 V126 I127 | A69-F110 HydrophobicContact CB-CD2 3.84Å; A69-F110 HydrophobicContact CB-CE2 4.29Å; T100-F110 HydrophobicContact CG2-CE2 3.78Å; T100-F110 HydrophobicContact CG2-CZ 3.94Å; L101-F110 HydrophobicContact CD2-CE1 4.5Å; L101-F110 HydrophobicContact CD2-CZ 4.27Å; G104-F110 VanDerWaalsContact CA-CG 3.47Å; G104-F110 WeakPolarHBondContact O-CB 3.49Å; D107-F110 HydrophobicContact CB-CB 4.17Å; D107-F110 VanDerWaalsContact O-CB 3.25Å; D107-F110 WeakPolarHBondContact O-CB 3.25Å; D107-F110 PolarHBondContact O-N 3Å; D107-F110 PolarHBondContact OD1-N 2.91Å; F110-L112 PolarHBondContact O-N 2.76Å; F110-K113 WeakPolarHBondContact O-CB 3.26Å; F110-K113 PolarHBondContact O-N 3.04Å; F110-K113 VanDerWaalsContact O-N 3.08Å; F110-V114 HydrophobicContact CD1-CG2 4.34Å; F110-V114 HydrophobicContact CD2-CG2 3.91Å; F110-V114 HydrophobicContact CE1-CG2 3.97Å; F110-V114 HydrophobicContact CE2-CG2 3.51Å; F110-V114 HydrophobicContact CG-CG2 4.32Å; F110-V114 HydrophobicContact CZ-CG2 3.54Å; F110-V114 WeakPolarHBondContact O-CG2 2.96Å; F110-V114 PolarHBondContact O-N 3.13Å; F110-V126 HydrophobicContact CE1-CG1 4.26Å; F110-I127 HydrophobicContact CD1-CD1 3.95Å; F110-I127 HydrophobicContact CE1-CD1 3.94Å; F110-I127 HydrophobicContact CE1-CG1 4.34Å |
| 111 | Y | 57 | Low | 61.4 | Low | 74 Ų | 74 | 54.7 Ų | 54.7 | 29% | 0.29 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -54.3 | -48 | 177 | 171.6 | -103.2 | 0 | 0 | 0 | 113.2 | R109 K113 V114 R115 L120 I127 T129 | R109-Y111 VanDerWaalsContact C-N 3.29Å; R109-Y111 PolarHBondContact O-N 3.44Å; Y111-K113 VanDerWaalsContact C-N 3.32Å; Y111-K113 PolarHBondContact O-N 2.99Å; Y111-V114 PolarHBondContact O-N 2.9Å; Y111-R115 WeakPolarHBondContact O-CB 3.49Å; Y111-R115 PolarHBondContact O-N 3Å; Y111-R115 PolarHBondContact OH-NH1 3.44Å; Y111-L120 HydrophobicContact CE2-CD1 4.33Å; Y111-I127 HydrophobicContact CD2-CD1 4.1Å; Y111-I127 HydrophobicContact CD2-CG2 3.5Å; Y111-I127 HydrophobicContact CE2-CG2 3.98Å; Y111-T129 HydrophobicContact CE2-CG2 3.64Å |
| 112 | L | 57.3 | Low | 60.4 | Low | 80 Ų | 80 | 53.2 Ų | 53.2 | 42% | 0.419 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 177.8 | -69.6 | 171 | 0 | 0 | 0 | 110.7 | R109 F110 R115 F116 | R109-L112 PolarHBondContact O-N 3.44Å; R109-L112 VanDerWaalsContact O-N 3.08Å; F110-L112 PolarHBondContact O-N 2.76Å; L112-R115 PolarHBondContact O-N 3.4Å; L112-F116 HydrophobicContact CB-CD2 4.27Å; L112-F116 HydrophobicContact CB-CE2 4.33Å; L112-F116 HydrophobicContact CD2-CE2 4.17Å; L112-F116 WeakPolarHBondContact O-CB 3.31Å; L112-F116 WeakPolarHBondContact O-CD2 3.32Å; L112-F116 PolarHBondContact O-N 3.35Å |
| 113 | K | 63 | Low | 59 | Low | 38 Ų | 38 | 51.2 Ų | 51.2 | 17% | 0.165 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | -179.2 | -67.1 | 173.5 | -174.4 | -173.7 | 0 | 112.1 | N67 A69 D107 R109 F110 Y111 G117 | N67-K113 WeakPolarHBondContact OD1-CE 3.44Å; N67-K113 PolarHBondContact OD1-NZ 3.37Å; A69-K113 HydrophobicContact CB-CD 4.33Å; D107-K113 IonicContact OD1-NZ 2.72Å; D107-K113 PolarHBondContact OD1-NZ 2.58Å; D107-K113 VanDerWaalsContact OD2-CD 3.31Å; D107-K113 WeakPolarHBondContact OD2-CD 3.47Å; D107-K113 WeakPolarHBondContact OD2-CE 3.36Å; D107-K113 IonicContact OD2-NZ 2.91Å; D107-K113 PolarHBondContact OD2-NZ 3.2Å; R109-K113 WeakPolarHBondContact O-CG 3.43Å; R109-K113 PolarHBondContact O-N 3.29Å; F110-K113 WeakPolarHBondContact O-CB 3.26Å; F110-K113 PolarHBondContact O-N 3.04Å; F110-K113 VanDerWaalsContact O-N 3.08Å; Y111-K113 VanDerWaalsContact C-N 3.32Å; Y111-K113 PolarHBondContact O-N 2.99Å; K113-G117 WeakPolarHBondContact O-CA 3.39Å; K113-G117 PolarHBondContact O-N 3.46Å |
| 114 | V | 61.7 | Low | 57.6 | Low | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 171.9 | 165.6 | 0 | 0 | 0 | 0 | 111.2 | F110 Y111 G117 G118 L119 L120 A123 I127 | F110-V114 HydrophobicContact CD1-CG2 4.34Å; F110-V114 HydrophobicContact CD2-CG2 3.91Å; F110-V114 HydrophobicContact CE1-CG2 3.97Å; F110-V114 HydrophobicContact CE2-CG2 3.51Å; F110-V114 HydrophobicContact CG-CG2 4.32Å; F110-V114 HydrophobicContact CZ-CG2 3.54Å; F110-V114 WeakPolarHBondContact O-CG2 2.96Å; F110-V114 PolarHBondContact O-N 3.13Å; Y111-V114 PolarHBondContact O-N 2.9Å; V114-G117 PolarHBondContact O-N 2.89Å; V114-G118 PolarHBondContact O-N 3.35Å; V114-L119 HydrophobicContact CG1-CB 4.33Å; V114-L119 PolarHBondContact O-N 2.94Å; V114-L120 HydrophobicContact CG1-CD1 4.39Å; V114-A123 HydrophobicContact CB-CB 4.21Å; V114-A123 HydrophobicContact CG1-CB 3.21Å; V114-A123 HydrophobicContact CG2-CB 3.97Å; V114-I127 HydrophobicContact CB-CD1 4.26Å; V114-I127 HydrophobicContact CG1-CD1 4.21Å; V114-I127 HydrophobicContact CG2-CD1 4.22Å |
| 115 | R | 52.2 | Low | 56.1 | Low | 132 Ų | 132 | 55 Ų | 55 | 50% | 0.498 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62 | -52.8 | 178.9 | -178.4 | 174 | 175.1 | 169.3 | -4.7 | 112.4 | Y111 L112 G117 G118 L120 | Y111-R115 WeakPolarHBondContact O-CB 3.49Å; Y111-R115 PolarHBondContact O-N 3Å; Y111-R115 PolarHBondContact OH-NH1 3.44Å; L112-R115 PolarHBondContact O-N 3.4Å; R115-G117 VanDerWaalsContact C-N 3.28Å; R115-G117 PolarHBondContact O-N 2.81Å; R115-G118 PolarHBondContact O-N 3.03Å; R115-L120 VanDerWaalsContact CA-CD1 3.41Å; R115-L120 HydrophobicContact CB-CD1 3.46Å; R115-L120 VanDerWaalsContact CB-CD1 3.46Å; R115-L120 HydrophobicContact CG-CD1 3.8Å |
| 116 | F | 51.7 | Low | 54.9 | Low | 167 Ų | 167 | 54.9 Ų | 54.9 | 73% | 0.732 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.9 | -27.6 | 176.5 | -73.6 | -64.1 | 0 | 0 | 0 | 112.6 | L112 G118 | L112-F116 HydrophobicContact CB-CD2 4.27Å; L112-F116 HydrophobicContact CB-CE2 4.33Å; L112-F116 HydrophobicContact CD2-CE2 4.17Å; L112-F116 WeakPolarHBondContact O-CB 3.31Å; L112-F116 WeakPolarHBondContact O-CD2 3.32Å; L112-F116 PolarHBondContact O-N 3.35Å; F116-G118 PolarHBondContact O-N 3.36Å |
| 117 | G | 52.3 | Low | 53.6 | Low | 11 Ų | 11 | 53.6 Ų | 53.6 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | R77 K113 V114 R115 | R77-G117 VanDerWaalsContact CD-O 3.25Å; R77-G117 WeakPolarHBondContact CD-O 3.5Å; R77-G117 PolarHBondContact NH1-O 3.45Å; K113-G117 WeakPolarHBondContact O-CA 3.39Å; K113-G117 PolarHBondContact O-N 3.46Å; V114-G117 PolarHBondContact O-N 2.89Å; R115-G117 VanDerWaalsContact C-N 3.28Å; R115-G117 PolarHBondContact O-N 2.81Å |
| 118 | G | 49.9 | Very low | 52.1 | Low | 52 Ų | 52 | 56.2 Ų | 56.2 | 54% | 0.536 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 18.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | V114 R115 F116 | V114-G118 PolarHBondContact O-N 3.35Å; R115-G118 PolarHBondContact O-N 3.03Å; F116-G118 PolarHBondContact O-N 3.36Å |
| 119 | L | 54.6 | Low | 50.9 | Low | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | trans | -108.7 | 11.9 | -173.5 | -78.3 | 174.6 | 0 | 0 | 0 | 114.5 | A73 L76 R77 L80 V114 A121 L122 A123 | A73-L119 HydrophobicContact CB-CD1 3.44Å; A73-L119 VanDerWaalsContact CB-CD1 3.44Å; A73-L119 WeakPolarHBondContact O-CD1 3.43Å; L76-L119 HydrophobicContact CB-CD1 4.11Å; L76-L119 HydrophobicContact CB-CD2 4.45Å; L76-L119 HydrophobicContact CD2-CD1 4.32Å; L76-L119 HydrophobicContact CD2-CD2 4.35Å; L76-L119 HydrophobicContact CG-CD1 4.48Å; L76-L119 HydrophobicContact CG-CD2 4.18Å; R77-L119 HydrophobicContact CB-CD1 4.08Å; R77-L119 HydrophobicContact CB-CD2 3.87Å; R77-L119 HydrophobicContact CB-CG 3.93Å; R77-L119 HydrophobicContact CG-CD2 4.5Å; L80-L119 HydrophobicContact CD1-CD2 3.81Å; V114-L119 HydrophobicContact CG1-CB 4.33Å; V114-L119 PolarHBondContact O-N 2.94Å; L119-A121 PolarHBondContact O-N 3.43Å; L119-L122 HydrophobicContact CD2-CD1 4.22Å; L119-L122 PolarHBondContact O-N 3.46Å; L119-A123 PolarHBondContact O-N 3.46Å; L119-A123 VanDerWaalsContact O-N 3.08Å | ||
| 120 | L | 47.7 | Very low | 50 | Low | 29 Ų | 29 | 50.9 Ų | 50.9 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -27.4 | 170.4 | -130.7 | 103.8 | 0 | 0 | 0 | 111.3 | Y111 V114 R115 A124 N134 | Y111-L120 HydrophobicContact CE2-CD1 4.33Å; V114-L120 HydrophobicContact CG1-CD1 4.39Å; R115-L120 VanDerWaalsContact CA-CD1 3.41Å; R115-L120 HydrophobicContact CB-CD1 3.46Å; R115-L120 VanDerWaalsContact CB-CD1 3.46Å; R115-L120 HydrophobicContact CG-CD1 3.8Å; L120-A124 PolarHBondContact O-N 2.79Å; L120-A124 VanDerWaalsContact O-N 3.08Å; L120-N134 HydrophobicContact CD2-CB 3.81Å |
| 121 | A | 42.7 | Very low | 49.4 | Very low | 11 Ų | 11 | 54.5 Ų | 54.5 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -34.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | L119 L138 F144 | L119-A121 PolarHBondContact O-N 3.43Å; A121-L138 HydrophobicContact CB-CD2 3.48Å; A121-L138 VanDerWaalsContact CB-CD2 3.48Å; A121-F144 HydrophobicContact CB-CD2 4.46Å; A121-F144 WeakPolarHBondContact O-CE2 3.47Å |
| 122 | L | 44.9 | Very low | 49.4 | Very low | 22 Ų | 22 | 51.3 Ų | 51.3 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -34.2 | 178.2 | -80.7 | 171.7 | 0 | 0 | 0 | 112.6 | L76 L80 I97 L119 A124 N125 | L76-L122 HydrophobicContact CD1-CD1 3.58Å; L76-L122 HydrophobicContact CD2-CB 3.99Å; L76-L122 HydrophobicContact CD2-CD1 3.58Å; L76-L122 HydrophobicContact CD2-CG 4.48Å; L76-L122 HydrophobicContact CG-CD1 3.37Å; L80-L122 HydrophobicContact CD1-CD1 3.18Å; L80-L122 HydrophobicContact CD1-CG 3.77Å; L80-L122 HydrophobicContact CD2-CD1 3.82Å; L80-L122 HydrophobicContact CD2-CG 4.37Å; L80-L122 HydrophobicContact CG-CD1 3.48Å; L80-L122 VanDerWaalsContact CG-CD1 3.48Å; L80-L122 HydrophobicContact CG-CG 4.37Å; I97-L122 HydrophobicContact CD1-CD2 3.77Å; I97-L122 HydrophobicContact CG1-CD2 4.43Å; L119-L122 HydrophobicContact CD2-CD1 4.22Å; L119-L122 PolarHBondContact O-N 3.46Å; L122-A124 PolarHBondContact O-N 3.22Å; L122-A124 VanDerWaalsContact O-N 3.11Å; L122-N125 PolarHBondContact O-N 2.9Å |
| 123 | A | 44.6 | Very low | 49.4 | Very low | 8 Ų | 8 | 53.8 Ų | 53.8 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -68.6 | -2.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V114 L119 N125 V126 I127 | V114-A123 HydrophobicContact CB-CB 4.21Å; V114-A123 HydrophobicContact CG1-CB 3.21Å; V114-A123 HydrophobicContact CG2-CB 3.97Å; L119-A123 PolarHBondContact O-N 3.46Å; L119-A123 VanDerWaalsContact O-N 3.08Å; A123-N125 PolarHBondContact O-N 2.89Å; A123-V126 CarbonylContact O-C 3.54Å; A123-V126 WeakPolarHBondContact O-CA 3.49Å; A123-V126 PolarHBondContact O-N 3.06Å; A123-I127 HydrophobicContact CB-CD1 4Å; A123-I127 HydrophobicContact CB-CG1 4.22Å; A123-I127 PolarHBondContact O-N 3.38Å |
| 124 | A | 44 | Very low | 49 | Very low | 22 Ų | 22 | 53.1 Ų | 53.1 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -56.3 | -30.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L120 L122 V126 L138 L169 | L120-A124 PolarHBondContact O-N 2.79Å; L120-A124 VanDerWaalsContact O-N 3.08Å; L122-A124 PolarHBondContact O-N 3.22Å; L122-A124 VanDerWaalsContact O-N 3.11Å; A124-V126 PolarHBondContact O-N 2.85Å; A124-L138 HydrophobicContact CB-CD1 4.19Å; A124-L169 HydrophobicContact CB-CD1 4.12Å; A124-L169 HydrophobicContact CB-CD2 3.82Å |
| 125 | N | 39.7 | Very low | 48.9 | Very low | 67 Ų | 67 | 53.3 Ų | 53.3 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -68.1 | -14.5 | 171.2 | -77.9 | -9.3 | 0 | 0 | 0 | 113.6 | L122 A123 | L122-N125 PolarHBondContact O-N 2.9Å; A123-N125 PolarHBondContact O-N 2.89Å |
| 126 | V | 43.6 | Very low | 49.4 | Very low | 68 Ų | 68 | 47.8 Ų | 47.8 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -32.5 | -173.6 | 171 | 0 | 0 | 0 | 0 | 114.6 | L101 F110 A123 A124 | L101-V126 HydrophobicContact CB-CG2 4.45Å; L101-V126 HydrophobicContact CD1-CG2 3.2Å; L101-V126 HydrophobicContact CD2-CB 3.71Å; L101-V126 HydrophobicContact CD2-CG1 3.91Å; L101-V126 HydrophobicContact CD2-CG2 3.11Å; L101-V126 HydrophobicContact CG-CG2 3.61Å; F110-V126 HydrophobicContact CE1-CG1 4.26Å; A123-V126 CarbonylContact O-C 3.54Å; A123-V126 WeakPolarHBondContact O-CA 3.49Å; A123-V126 PolarHBondContact O-N 3.06Å; A124-V126 PolarHBondContact O-N 2.85Å |
| 127 | I | 42.2 | Very low | 49.9 | Very low | 36 Ų | 36 | 45.1 Ų | 45.1 | 19% | 0.185 | 26% | 0.26 | C | S | . | . | trans | -118.4 | 69 | -174.6 | -48.8 | 179.1 | 0 | 0 | 0 | 106.7 | F110 Y111 V114 A123 T129 | F110-I127 HydrophobicContact CD1-CD1 3.95Å; F110-I127 HydrophobicContact CE1-CD1 3.94Å; F110-I127 HydrophobicContact CE1-CG1 4.34Å; Y111-I127 HydrophobicContact CD2-CD1 4.1Å; Y111-I127 HydrophobicContact CD2-CG2 3.5Å; Y111-I127 HydrophobicContact CE2-CG2 3.98Å; V114-I127 HydrophobicContact CB-CD1 4.26Å; V114-I127 HydrophobicContact CG1-CD1 4.21Å; V114-I127 HydrophobicContact CG2-CD1 4.22Å; A123-I127 HydrophobicContact CB-CD1 4Å; A123-I127 HydrophobicContact CB-CG1 4.22Å; A123-I127 PolarHBondContact O-N 3.38Å; I127-T129 HydrophobicContact CG2-CG2 3.96Å; I127-T129 PolarHBondContact O-N 3.05Å | ||
| 128 | A | 39.2 | Very low | 50.4 | Low | 72 Ų | 72 | 45.2 Ų | 45.2 | 60% | 0.595 | 26% | 0.258 | S | S | * | . | trans | -53.1 | 80.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | R130 | A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.42Å | ||
| 129 | T | 44.2 | Very low | 51.2 | Low | 34 Ų | 34 | 42.8 Ų | 42.8 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | trans | -70.5 | 102 | 160.4 | 60.3 | 0 | 0 | 0 | 0 | 103.3 | Y111 I127 E131 N134 | Y111-T129 HydrophobicContact CE2-CG2 3.64Å; I127-T129 HydrophobicContact CG2-CG2 3.96Å; I127-T129 PolarHBondContact O-N 3.05Å; T129-E131 PolarHBondContact O-N 3.07Å; T129-N134 WeakPolarHBondContact CB-ND2 3.28Å; T129-N134 VanDerWaalsContact OG1-CB 3.29Å; T129-N134 WeakPolarHBondContact OG1-CB 3.48Å; T129-N134 PolarHBondContact OG1-ND2 2.93Å | ||
| 130 | R | 51 | Low | 51.8 | Low | 123 Ų | 123 | 49.7 Ų | 49.7 | 46% | 0.464 | 26% | 0.263 | S | S | . | . | trans | -60.1 | 11.7 | 178.5 | -64 | -176.5 | 171.7 | -167.8 | -2 | 113.8 | A128 T322 S323 | A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.42Å; R130-T322 HydrophobicContact CB-CG2 4.33Å; R130-T322 HydrophobicContact CG-CG2 3.9Å; R130-S323 PolarHBondContact NH1-OG 2.56Å | ||
| 131 | E | 54.6 | Low | 52.9 | Low | 92 Ų | 92 | 51.5 Ų | 51.5 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | trans | -100 | 122.9 | -176.3 | -63.5 | -169.8 | 170.3 | 0 | 0 | 111.6 | T129 K133 N134 | T129-E131 PolarHBondContact O-N 3.07Å; E131-K133 PolarHBondContact O-N 3.26Å; E131-N134 PolarHBondContact O-N 3.16Å | ||
| 132 | G | 55.2 | Low | 54.3 | Low | 7 Ų | 7 | 57.6 Ų | 57.6 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58 | -22.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A136 P176 | G132-A136 PolarHBondContact O-N 2.85Å; G132-P176 WeakPolarHBondContact O-CG 3.39Å |
| 133 | K | 57.7 | Low | 55.5 | Low | 132 Ų | 132 | 61.2 Ų | 61.2 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.9 | -36.7 | 179.3 | -70.1 | -174.2 | -178.7 | -178.3 | 0 | 113.5 | E131 A136 | E131-K133 PolarHBondContact O-N 3.26Å; K133-A136 VanDerWaalsContact O-CB 3.27Å; K133-A136 WeakPolarHBondContact O-CB 3.37Å; K133-A136 PolarHBondContact O-N 3.1Å |
| 134 | N | 55.1 | Low | 56.7 | Low | 25 Ų | 25 | 61.7 Ų | 61.7 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.2 | -41.8 | 178.7 | -67.7 | -23.4 | 0 | 0 | 0 | 110.5 | L120 T129 E131 A136 L137 | L120-N134 HydrophobicContact CD2-CB 3.81Å; T129-N134 WeakPolarHBondContact CB-ND2 3.28Å; T129-N134 VanDerWaalsContact OG1-CB 3.29Å; T129-N134 WeakPolarHBondContact OG1-CB 3.48Å; T129-N134 PolarHBondContact OG1-ND2 2.93Å; E131-N134 PolarHBondContact O-N 3.16Å; N134-A136 PolarHBondContact O-N 3.25Å; N134-L137 PolarHBondContact O-N 3.34Å |
| 135 | A | 60.1 | Low | 58.5 | Low | 6 Ų | 6 | 60.7 Ų | 60.7 | 5% | 0.05 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -31.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L137 L138 S139 L172 M173 | A135-L137 VanDerWaalsContact C-N 3.28Å; A135-L137 PolarHBondContact O-N 3.48Å; A135-L138 VanDerWaalsContact O-CB 3.3Å; A135-L138 WeakPolarHBondContact O-CB 3.42Å; A135-L138 PolarHBondContact O-N 3.21Å; A135-S139 PolarHBondContact O-N 3.12Å; A135-L172 HydrophobicContact CB-CB 3.84Å; A135-M173 HydrophobicContact CB-CG 4.03Å; A135-M173 WeakPolarHBondContact O-CG 2.97Å |
| 136 | A | 63 | Low | 60.4 | Low | 16 Ų | 16 | 62.2 Ų | 62.2 | 13% | 0.132 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.8 | -36.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G132 K133 N134 L138 S139 P176 T179 | G132-A136 PolarHBondContact O-N 2.85Å; K133-A136 VanDerWaalsContact O-CB 3.27Å; K133-A136 WeakPolarHBondContact O-CB 3.37Å; K133-A136 PolarHBondContact O-N 3.1Å; N134-A136 PolarHBondContact O-N 3.25Å; A136-L138 PolarHBondContact O-N 3.23Å; A136-S139 PolarHBondContact O-N 2.98Å; A136-S139 PolarHBondContact O-OG 3.37Å; A136-P176 HydrophobicContact CB-CB 4.25Å; A136-P176 HydrophobicContact CB-CG 3.76Å; A136-T179 HydrophobicContact CB-CG2 3.7Å |
| 137 | L | 61.6 | Low | 62 | Low | 111 Ų | 111 | 62.1 Ų | 62.1 | 58% | 0.581 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.7 | -30.3 | 177.7 | -67.3 | 170.3 | 0 | 0 | 0 | 111.6 | N134 A135 K140 | N134-L137 PolarHBondContact O-N 3.34Å; A135-L137 VanDerWaalsContact C-N 3.28Å; A135-L137 PolarHBondContact O-N 3.48Å; L137-K140 PolarHBondContact O-N 2.92Å |
| 138 | L | 62 | Low | 64 | Low | 13 Ų | 13 | 60.4 Ų | 60.4 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.1 | -37.1 | 178.6 | -52.1 | -175.1 | 0 | 0 | 0 | 112 | A121 A124 A135 A136 K140 N141 F144 L169 M173 | A121-L138 HydrophobicContact CB-CD2 3.48Å; A121-L138 VanDerWaalsContact CB-CD2 3.48Å; A124-L138 HydrophobicContact CB-CD1 4.19Å; A135-L138 VanDerWaalsContact O-CB 3.3Å; A135-L138 WeakPolarHBondContact O-CB 3.42Å; A135-L138 PolarHBondContact O-N 3.21Å; A136-L138 PolarHBondContact O-N 3.23Å; L138-K140 PolarHBondContact O-N 3.47Å; L138-K140 VanDerWaalsContact O-N 3.14Å; L138-N141 PolarHBondContact O-N 2.96Å; L138-F144 HydrophobicContact CB-CD1 3.91Å; L138-F144 HydrophobicContact CB-CE1 4.04Å; L138-F144 HydrophobicContact CD1-CE1 4.01Å; L138-F144 HydrophobicContact CD1-CZ 4.39Å; L138-L169 HydrophobicContact CD1-CD1 3.8Å; L138-L169 HydrophobicContact CD1-CD2 4.04Å; L138-L169 HydrophobicContact CD1-CG 4.21Å; L138-M173 HydrophobicContact CB-CE 4.11Å; L138-M173 HydrophobicContact CB-CG 4.23Å; L138-M173 HydrophobicContact CB-SD 4.2Å |
| 139 | S | 66.8 | Low | 66.4 | Low | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -19.3 | 178.3 | 73 | 0 | 0 | 0 | 0 | 113.5 | A135 A136 T179 I182 | A135-S139 PolarHBondContact O-N 3.12Å; A136-S139 PolarHBondContact O-N 2.98Å; A136-S139 PolarHBondContact O-OG 3.37Å; S139-T179 VanDerWaalsContact OG-CB 3.27Å; S139-T179 WeakPolarHBondContact OG-CB 3.14Å; S139-T179 WeakPolarHBondContact OG-CG2 3.21Å; S139-I182 WeakPolarHBondContact O-CG2 3.44Å |
| 140 | K | 68.5 | Low | 68.3 | Low | 149 Ų | 149 | 61.6 Ų | 61.6 | 65% | 0.648 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -8.9 | 176.4 | -63.4 | -173.7 | 176.6 | -172 | 0 | 113.4 | L137 L138 I182 | L137-K140 PolarHBondContact O-N 2.92Å; L138-K140 PolarHBondContact O-N 3.47Å; L138-K140 VanDerWaalsContact O-N 3.14Å; K140-I182 HydrophobicContact CG-CD1 4.36Å |
| 141 | N | 69.4 | Low | 69.8 | Low | 66 Ų | 66 | 55.8 Ų | 55.8 | 35% | 0.353 | 28% | 0.275 | S | S | . | . | trans | -95.7 | 100 | 177.2 | -175 | -21.6 | 0 | 0 | 0 | 109.2 | L138 K143 F144 V145 | L138-N141 PolarHBondContact O-N 2.96Å; N141-K143 VanDerWaalsContact C-N 3.25Å; N141-K143 PolarHBondContact O-N 3.03Å; N141-K143 WeakPolarHBondContact OD1-CB 3.22Å; N141-K143 PolarHBondContact OD1-N 3.39Å; N141-F144 HydrophobicContact CB-CB 3.96Å; N141-F144 WeakPolarHBondContact O-CB 3.44Å; N141-F144 PolarHBondContact O-N 3.42Å; N141-F144 PolarHBondContact OD1-N 3.44Å; N141-V145 PolarHBondContact O-N 3.25Å; N141-V145 VanDerWaalsContact O-N 3.15Å | ||
| 142 | E | 72.4 | Confident | 71.5 | Confident | 139 Ų | 139 | 51.8 Ų | 51.8 | 65% | 0.65 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -54.3 | -40.8 | -178.7 | -66.6 | 178.6 | 173.9 | 0 | 0 | 112.4 | F144 V145 L146 | E142-F144 VanDerWaalsContact C-N 3.25Å; E142-F144 PolarHBondContact O-N 2.93Å; E142-V145 PolarHBondContact O-N 2.76Å; E142-L146 WeakPolarHBondContact O-CG 3.45Å; E142-L146 PolarHBondContact O-N 2.92Å |
| 143 | K | 70.5 | Confident | 73.2 | Confident | 98 Ų | 98 | 59.8 Ų | 59.8 | 43% | 0.426 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.6 | -34.3 | 177.6 | -63.4 | -167.2 | 177.6 | -165.9 | 0 | 112.5 | Q81 N141 L146 F147 | Q81-K143 PolarHBondContact O-NZ 3.41Å; N141-K143 VanDerWaalsContact C-N 3.25Å; N141-K143 PolarHBondContact O-N 3.03Å; N141-K143 WeakPolarHBondContact OD1-CB 3.22Å; N141-K143 PolarHBondContact OD1-N 3.39Å; K143-L146 PolarHBondContact O-N 3.37Å; K143-F147 PolarHBondContact O-N 3.38Å |
| 144 | F | 70.2 | Confident | 74.6 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 8% | 0.083 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -73.4 | -39.5 | 178.2 | -169.2 | -102.9 | 0 | 0 | 0 | 112.1 | A121 L138 N141 E142 L146 F147 I148 L169 M173 | A121-F144 HydrophobicContact CB-CD2 4.46Å; A121-F144 WeakPolarHBondContact O-CE2 3.47Å; L138-F144 HydrophobicContact CB-CD1 3.91Å; L138-F144 HydrophobicContact CB-CE1 4.04Å; L138-F144 HydrophobicContact CD1-CE1 4.01Å; L138-F144 HydrophobicContact CD1-CZ 4.39Å; N141-F144 HydrophobicContact CB-CB 3.96Å; N141-F144 WeakPolarHBondContact O-CB 3.44Å; N141-F144 PolarHBondContact O-N 3.42Å; N141-F144 PolarHBondContact OD1-N 3.44Å; E142-F144 VanDerWaalsContact C-N 3.25Å; E142-F144 PolarHBondContact O-N 2.93Å; F144-L146 VanDerWaalsContact C-N 3.28Å; F144-L146 PolarHBondContact O-N 2.99Å; F144-F147 HydrophobicContact CE2-CD1 4.32Å; F144-F147 WeakPolarHBondContact O-CB 3.43Å; F144-F147 PolarHBondContact O-N 2.96Å; F144-I148 HydrophobicContact CD1-CD1 4.06Å; F144-I148 HydrophobicContact CE1-CD1 3.6Å; F144-I148 HydrophobicContact CE1-CG1 4.21Å; F144-I148 HydrophobicContact CZ-CD1 4.29Å; F144-I148 PolarHBondContact O-N 2.88Å; F144-I148 VanDerWaalsContact O-N 3.08Å; F144-L169 HydrophobicContact CE1-CD2 3.58Å; F144-L169 HydrophobicContact CE1-CG 4.47Å; F144-L169 HydrophobicContact CZ-CD2 3.37Å; F144-M173 HydrophobicContact CD1-CE 4.14Å; F144-M173 HydrophobicContact CD1-SD 4.38Å; F144-M173 HydrophobicContact CE1-CE 4.38Å; F144-M173 HydrophobicContact CE1-SD 4.02Å |
| 145 | V | 80.8 | Confident | 76.1 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | 173.5 | -177 | 0 | 0 | 0 | 0 | 110.2 | N141 E142 I148 K149 M173 L183 N186 I188 | N141-V145 PolarHBondContact O-N 3.25Å; N141-V145 VanDerWaalsContact O-N 3.15Å; E142-V145 PolarHBondContact O-N 2.76Å; V145-I148 PolarHBondContact O-N 3.41Å; V145-K149 HydrophobicContact CG1-CD 4.47Å; V145-K149 WeakPolarHBondContact O-CG 3.34Å; V145-K149 PolarHBondContact O-N 2.81Å; V145-K149 VanDerWaalsContact O-N 3.08Å; V145-M173 HydrophobicContact CG2-CE 4.23Å; V145-L183 HydrophobicContact CG2-CD2 4.45Å; V145-N186 HydrophobicContact CG1-CB 3.72Å; V145-I188 HydrophobicContact CG1-CD1 3.73Å; V145-I188 HydrophobicContact CG1-CG1 3.92Å |
| 146 | L | 80.6 | Confident | 77.3 | Confident | 99 Ų | 99 | 63 Ų | 63 | 52% | 0.518 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 172.9 | -70.4 | 173.8 | 0 | 0 | 0 | 112.9 | E142 K143 F144 K149 S150 | E142-L146 WeakPolarHBondContact O-CG 3.45Å; E142-L146 PolarHBondContact O-N 2.92Å; K143-L146 PolarHBondContact O-N 3.37Å; F144-L146 VanDerWaalsContact C-N 3.28Å; F144-L146 PolarHBondContact O-N 2.99Å; L146-K149 PolarHBondContact O-N 3.17Å; L146-S150 WeakPolarHBondContact O-CB 3.49Å; L146-S150 PolarHBondContact O-N 3.21Å |
| 147 | F | 77.8 | Confident | 78.3 | Confident | 66 Ų | 66 | 68.4 Ų | 68.4 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.4 | -50.8 | 174.1 | 169.8 | -100.3 | 0 | 0 | 0 | 111.5 | K143 F144 K149 S150 T151 | K143-F147 PolarHBondContact O-N 3.38Å; F144-F147 HydrophobicContact CE2-CD1 4.32Å; F144-F147 WeakPolarHBondContact O-CB 3.43Å; F144-F147 PolarHBondContact O-N 2.96Å; F147-K149 VanDerWaalsContact C-N 3.3Å; F147-K149 PolarHBondContact O-N 3.5Å; F147-S150 WeakPolarHBondContact O-CB 3.4Å; F147-S150 PolarHBondContact O-N 2.96Å; F147-S150 VanDerWaalsContact O-N 3.1Å; F147-T151 PolarHBondContact O-N 3.04Å; F147-T151 PolarHBondContact O-OG1 3.29Å |
| 148 | I | 83.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.5 | -44.8 | 177.4 | -68.8 | 176.5 | 0 | 0 | 0 | 111 | F144 V145 S150 T151 F152 L170 M173 | F144-I148 HydrophobicContact CD1-CD1 4.06Å; F144-I148 HydrophobicContact CE1-CD1 3.6Å; F144-I148 HydrophobicContact CE1-CG1 4.21Å; F144-I148 HydrophobicContact CZ-CD1 4.29Å; F144-I148 PolarHBondContact O-N 2.88Å; F144-I148 VanDerWaalsContact O-N 3.08Å; V145-I148 PolarHBondContact O-N 3.41Å; I148-S150 VanDerWaalsContact C-N 3.34Å; I148-S150 PolarHBondContact O-N 2.92Å; I148-T151 PolarHBondContact O-N 3.13Å; I148-F152 HydrophobicContact CG2-CD2 3.99Å; I148-F152 HydrophobicContact CG2-CE1 4.18Å; I148-F152 HydrophobicContact CG2-CE2 3.57Å; I148-F152 HydrophobicContact CG2-CG 4.45Å; I148-F152 HydrophobicContact CG2-CZ 3.66Å; I148-F152 WeakPolarHBondContact O-CG 3.36Å; I148-F152 PolarHBondContact O-N 2.79Å; I148-L170 HydrophobicContact CG2-CD2 4.37Å; I148-M173 HydrophobicContact CD1-CE 4.22Å; I148-M173 HydrophobicContact CD1-SD 3.74Å |
| 149 | K | 89.1 | Confident | 79.9 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 26% | 0.261 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 177.6 | -71.3 | 175.7 | 66.8 | 178.4 | 0 | 112.1 | V145 L146 F147 F152 K153 N186 I188 | V145-K149 HydrophobicContact CG1-CD 4.47Å; V145-K149 WeakPolarHBondContact O-CG 3.34Å; V145-K149 PolarHBondContact O-N 2.81Å; V145-K149 VanDerWaalsContact O-N 3.08Å; L146-K149 PolarHBondContact O-N 3.17Å; F147-K149 VanDerWaalsContact C-N 3.3Å; F147-K149 PolarHBondContact O-N 3.5Å; K149-F152 PolarHBondContact O-N 3.21Å; K149-K153 WeakPolarHBondContact O-CB 3.46Å; K149-K153 PolarHBondContact O-N 2.83Å; K149-N186 PolarHBondContact NZ-O 2.87Å; K149-I188 HydrophobicContact CD-CD1 4.16Å; K149-I188 HydrophobicContact CG-CD1 3.78Å |
| 150 | S | 83.5 | Confident | 80.6 | Confident | 71 Ų | 71 | 74.5 Ų | 74.5 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 176.9 | -167.5 | 0 | 0 | 0 | 0 | 111.2 | L146 F147 I148 F152 K153 D154 | L146-S150 WeakPolarHBondContact O-CB 3.49Å; L146-S150 PolarHBondContact O-N 3.21Å; F147-S150 WeakPolarHBondContact O-CB 3.4Å; F147-S150 PolarHBondContact O-N 2.96Å; F147-S150 VanDerWaalsContact O-N 3.1Å; I148-S150 VanDerWaalsContact C-N 3.34Å; I148-S150 PolarHBondContact O-N 2.92Å; S150-F152 VanDerWaalsContact C-N 3.33Å; S150-F152 PolarHBondContact O-N 3.19Å; S150-K153 PolarHBondContact O-N 2.94Å; S150-D154 PolarHBondContact O-N 3.37Å |
| 151 | T | 83.3 | Confident | 80.8 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 176 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | F147 I148 D154 Y155 E158 V162 I163 | F147-T151 PolarHBondContact O-N 3.04Å; F147-T151 PolarHBondContact O-OG1 3.29Å; I148-T151 PolarHBondContact O-N 3.13Å; T151-D154 CarbonylContact O-C 3.51Å; T151-D154 PolarHBondContact O-N 2.93Å; T151-Y155 PolarHBondContact O-N 3.46Å; T151-E158 HydrophobicContact CG2-CB 4.48Å; T151-E158 HydrophobicContact CG2-CG 4.16Å; T151-V162 HydrophobicContact CG2-CG1 3.9Å; T151-I163 HydrophobicContact CG2-CG1 4.33Å |
| 152 | F | 90.9 | Very high | 81.1 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -71.2 | -32 | 176.9 | -69.1 | -6.9 | 0 | 0 | 0 | 113.1 | I148 K149 S150 Y155 C166 A167 L170 V192 L195 | I148-F152 HydrophobicContact CG2-CD2 3.99Å; I148-F152 HydrophobicContact CG2-CE1 4.18Å; I148-F152 HydrophobicContact CG2-CE2 3.57Å; I148-F152 HydrophobicContact CG2-CG 4.45Å; I148-F152 HydrophobicContact CG2-CZ 3.66Å; I148-F152 WeakPolarHBondContact O-CG 3.36Å; I148-F152 PolarHBondContact O-N 2.79Å; K149-F152 PolarHBondContact O-N 3.21Å; S150-F152 VanDerWaalsContact C-N 3.33Å; S150-F152 PolarHBondContact O-N 3.19Å; F152-Y155 VanDerWaalsContact O-CD1 3.31Å; F152-Y155 WeakPolarHBondContact O-CD1 3.38Å; F152-C166 HydrophobicContact CD1-CB 4.42Å; F152-C166 HydrophobicContact CE1-CB 3.51Å; F152-C166 HydrophobicContact CZ-CB 4.04Å; F152-A167 HydrophobicContact CE1-CB 4.49Å; F152-A167 HydrophobicContact CZ-CB 4.22Å; F152-L170 HydrophobicContact CE2-CD2 3.68Å; F152-L170 HydrophobicContact CZ-CD2 4.26Å; F152-V192 HydrophobicContact CE2-CG2 4.2Å; F152-L195 HydrophobicContact CB-CD1 4.3Å; F152-L195 HydrophobicContact CD1-CD1 4.12Å; F152-L195 HydrophobicContact CD1-CD2 3.72Å; F152-L195 HydrophobicContact CD1-CG 4.49Å; F152-L195 HydrophobicContact CD2-CD2 3.95Å; F152-L195 HydrophobicContact CE1-CD2 3.65Å; F152-L195 HydrophobicContact CE2-CD2 3.89Å; F152-L195 HydrophobicContact CG-CD1 4.25Å; F152-L195 HydrophobicContact CG-CD2 3.88Å; F152-L195 HydrophobicContact CG-CG 4.45Å; F152-L195 HydrophobicContact CZ-CD2 3.76Å |
| 153 | K | 90.3 | Very high | 81.7 | Confident | 176 Ų | 176 | 64.6 Ų | 64.6 | 77% | 0.765 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.8 | -37.8 | 175 | -172.5 | -179.6 | 179.4 | -175.8 | 0 | 111.6 | K149 S150 Y155 | K149-K153 WeakPolarHBondContact O-CB 3.46Å; K149-K153 PolarHBondContact O-N 2.83Å; S150-K153 PolarHBondContact O-N 2.94Å; K153-Y155 VanDerWaalsContact C-N 3.32Å |
| 154 | D | 87.9 | Confident | 82.1 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 26.8 | -179.7 | -158.4 | 25.9 | 0 | 0 | 0 | 113.2 | S150 T151 A156 N157 E158 | S150-D154 PolarHBondContact O-N 3.37Å; T151-D154 CarbonylContact O-C 3.51Å; T151-D154 PolarHBondContact O-N 2.93Å; D154-A156 PolarHBondContact O-N 2.82Å; D154-N157 PolarHBondContact O-N 2.79Å; D154-N157 PolarHBondContact OD1-ND2 3.22Å; D154-E158 HydrophobicContact CB-CG 4.29Å; D154-E158 WeakPolarHBondContact O-CG 3.42Å; D154-E158 PolarHBondContact O-N 2.9Å; D154-E158 VanDerWaalsContact O-N 3.16Å |
| 155 | Y | 86 | Confident | 82.4 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 33% | 0.333 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -20.5 | -173.9 | 73.6 | -95.1 | 0 | 0 | 0 | 114.4 | T151 F152 K153 I163 A198 F199 | T151-Y155 PolarHBondContact O-N 3.46Å; F152-Y155 VanDerWaalsContact O-CD1 3.31Å; F152-Y155 WeakPolarHBondContact O-CD1 3.38Å; K153-Y155 VanDerWaalsContact C-N 3.32Å; Y155-I163 VanDerWaalsContact O-CD1 3.3Å; Y155-I163 WeakPolarHBondContact O-CD1 3.41Å; Y155-A198 HydrophobicContact CD1-CB 4.44Å; Y155-A198 HydrophobicContact CD2-CB 4.41Å; Y155-A198 HydrophobicContact CE1-CB 3.85Å; Y155-A198 HydrophobicContact CE2-CB 3.84Å; Y155-F199 AromaticContact CD2-CE2 3.74Å; Y155-F199 HydrophobicContact CD2-CE2 3.74Å; Y155-F199 HydrophobicContact CD2-CZ 4.23Å; Y155-F199 AromaticContact CG-CE2 3.97Å; Y155-F199 HydrophobicContact CG-CE2 3.97Å |
| 156 | A | 85.4 | Confident | 82.5 | Confident | 78 Ų | 78 | 66 Ų | 66 | 65% | 0.645 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -27.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D154 | D154-A156 PolarHBondContact O-N 2.82Š|
| 157 | N | 83.9 | Confident | 82.7 | Confident | 129 Ų | 129 | 61.3 Ų | 61.3 | 69% | 0.69 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -10.6 | -179 | -61.3 | -52.9 | 0 | 0 | 0 | 113 | D154 | D154-N157 PolarHBondContact O-N 2.79Å; D154-N157 PolarHBondContact OD1-ND2 3.22Å |
| 158 | E | 78.9 | Confident | 82.8 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -87.7 | 151.7 | -179.8 | -71.9 | -75.7 | -167.3 | 0 | 0 | 112.7 | T151 D154 M160 I163 | T151-E158 HydrophobicContact CG2-CB 4.48Å; T151-E158 HydrophobicContact CG2-CG 4.16Å; D154-E158 HydrophobicContact CB-CG 4.29Å; D154-E158 WeakPolarHBondContact O-CG 3.42Å; D154-E158 PolarHBondContact O-N 2.9Å; D154-E158 VanDerWaalsContact O-N 3.16Å; E158-M160 PolarHBondContact O-N 2.92Å; E158-I163 HydrophobicContact CB-CD1 4.11Å; E158-I163 HydrophobicContact CB-CG1 4.06Å |
| 159 | E | 77.3 | Confident | 82.5 | Confident | 135 Ų | 135 | 60.9 Ų | 60.9 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | trans | -66.4 | 133.6 | 175.2 | -68.8 | -177.6 | -175 | 0 | 0 | 111.1 | N161 V162 I163 | E159-N161 PolarHBondContact O-N 2.98Å; E159-N161 VanDerWaalsContact O-N 3.07Å; E159-V162 HydrophobicContact CB-CB 4.47Å; E159-V162 HydrophobicContact CB-CG2 3.98Å; E159-V162 WeakPolarHBondContact O-CA 3.48Å; E159-V162 WeakPolarHBondContact O-CB 3.5Å; E159-V162 PolarHBondContact O-N 2.81Å; E159-I163 PolarHBondContact O-N 2.92Å | ||
| 160 | M | 81.8 | Confident | 82.3 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -49.2 | -40 | 178.4 | -178.4 | 63 | 68 | 0 | 0 | 113.2 | E158 V162 I163 H164 F199 E204 T206 | E158-M160 PolarHBondContact O-N 2.92Å; M160-V162 VanDerWaalsContact C-N 3.32Å; M160-V162 PolarHBondContact O-N 3.34Å; M160-I163 PolarHBondContact O-N 3.44Å; M160-H164 WeakPolarHBondContact O-CB 3.3Å; M160-H164 PolarHBondContact O-N 3.08Å; M160-F199 HydrophobicContact CE-CE1 3.74Å; M160-F199 HydrophobicContact SD-CE1 3.64Å; M160-F199 HydrophobicContact SD-CZ 4.46Å; M160-E204 VanDerWaalsContact CE-OE2 3.24Å; M160-E204 WeakPolarHBondContact CE-OE2 3.41Å; M160-T206 HydrophobicContact CG-CG2 4.25Å |
| 161 | N | 73.8 | Confident | 82.3 | Confident | 111 Ų | 111 | 55.1 Ų | 55.1 | 59% | 0.594 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.6 | -36 | 177.8 | -74.7 | -34.9 | 0 | 0 | 0 | 112.8 | E159 R165 | E159-N161 PolarHBondContact O-N 2.98Å; E159-N161 VanDerWaalsContact O-N 3.07Å; N161-R165 WeakPolarHBondContact O-CB 3.5Å; N161-R165 WeakPolarHBondContact O-CG 3.45Å; N161-R165 PolarHBondContact O-N 3.37Å |
| 162 | V | 75.7 | Confident | 82 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.2 | -43.7 | 178.8 | 177.4 | 0 | 0 | 0 | 0 | 110 | T151 E159 M160 R165 C166 | T151-V162 HydrophobicContact CG2-CG1 3.9Å; E159-V162 HydrophobicContact CB-CB 4.47Å; E159-V162 HydrophobicContact CB-CG2 3.98Å; E159-V162 WeakPolarHBondContact O-CA 3.48Å; E159-V162 WeakPolarHBondContact O-CB 3.5Å; E159-V162 PolarHBondContact O-N 2.81Å; M160-V162 VanDerWaalsContact C-N 3.32Å; M160-V162 PolarHBondContact O-N 3.34Å; V162-R165 PolarHBondContact O-N 2.98Å; V162-C166 WeakPolarHBondContact O-CB 3.37Å; V162-C166 PolarHBondContact O-N 3.43Å; V162-C166 PolarHBondContact O-SG 3.42Å |
| 163 | I | 83.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 177.3 | -60.2 | 167.2 | 0 | 0 | 0 | 110.4 | T151 Y155 E158 E159 M160 R165 C166 A167 L195 F199 V210 | T151-I163 HydrophobicContact CG2-CG1 4.33Å; Y155-I163 VanDerWaalsContact O-CD1 3.3Å; Y155-I163 WeakPolarHBondContact O-CD1 3.41Å; E158-I163 HydrophobicContact CB-CD1 4.11Å; E158-I163 HydrophobicContact CB-CG1 4.06Å; E159-I163 PolarHBondContact O-N 2.92Å; M160-I163 PolarHBondContact O-N 3.44Å; I163-R165 PolarHBondContact O-N 3.14Å; I163-C166 PolarHBondContact O-N 2.92Å; I163-A167 PolarHBondContact O-N 3.49Å; I163-L195 HydrophobicContact CG2-CD1 3.89Å; I163-L195 HydrophobicContact CG2-CD2 4.45Å; I163-F199 HydrophobicContact CD1-CZ 3.85Å; I163-F199 HydrophobicContact CG2-CE1 4.5Å; I163-F199 HydrophobicContact CG2-CE2 4.25Å; I163-F199 HydrophobicContact CG2-CZ 3.89Å; I163-V210 HydrophobicContact CG2-CG1 4.46Å; I163-V210 HydrophobicContact CG2-CG2 4.26Å |
| 164 | H | 79.7 | Confident | 81.2 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 12% | 0.116 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.7 | -49.4 | 176.9 | 178.1 | -112.1 | 0 | 0 | 0 | 112.2 | M160 C166 A167 E168 T209 V210 | M160-H164 WeakPolarHBondContact O-CB 3.3Å; M160-H164 PolarHBondContact O-N 3.08Å; H164-C166 PolarHBondContact O-N 3.2Å; H164-A167 PolarHBondContact O-N 3.18Å; H164-E168 IonicContact CE1-OE1 3.71Å; H164-E168 PolarHBondContact CE1-OE1 2.78Å; H164-E168 IonicContact CE1-OE2 3.66Å; H164-E168 IonicContact NE2-OE1 2.83Å; H164-E168 PolarHBondContact NE2-OE1 2.94Å; H164-E168 WeakPolarHBondContact O-CG 3.31Å; H164-E168 PolarHBondContact O-N 3.23Å; H164-T209 PolarHBondContact CD2-OG1 2.97Å; H164-T209 WeakPolarHBondContact NE2-CB 3.46Å; H164-T209 PolarHBondContact NE2-OG1 2.97Å; H164-V210 HydrophobicContact CB-CG2 4.21Å |
| 165 | R | 76.1 | Confident | 80.8 | Confident | 119 Ų | 119 | 45.7 Ų | 45.7 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 178.6 | -69.5 | -62.9 | -176.9 | -157.9 | 0.4 | 112.9 | N161 V162 I163 A167 E168 L169 | N161-R165 WeakPolarHBondContact O-CB 3.5Å; N161-R165 WeakPolarHBondContact O-CG 3.45Å; N161-R165 PolarHBondContact O-N 3.37Å; V162-R165 PolarHBondContact O-N 2.98Å; I163-R165 PolarHBondContact O-N 3.14Å; R165-A167 VanDerWaalsContact C-N 3.34Å; R165-E168 IonicContact CZ-OE2 2.65Å; R165-E168 IonicContact NH1-OE1 2.77Å; R165-E168 IonicContact NH1-OE2 3.26Å; R165-E168 PolarHBondContact NH1-OE2 3Å; R165-L169 WeakPolarHBondContact O-CB 3.4Å; R165-L169 PolarHBondContact O-N 3.19Å |
| 166 | C | 82.9 | Confident | 80.3 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 175.4 | -71.9 | 0 | 0 | 0 | 0 | 111.6 | F152 V162 I163 H164 L169 L170 | F152-C166 HydrophobicContact CD1-CB 4.42Å; F152-C166 HydrophobicContact CE1-CB 3.51Å; F152-C166 HydrophobicContact CZ-CB 4.04Å; V162-C166 WeakPolarHBondContact O-CB 3.37Å; V162-C166 PolarHBondContact O-N 3.43Å; V162-C166 PolarHBondContact O-SG 3.42Å; I163-C166 PolarHBondContact O-N 2.92Å; H164-C166 PolarHBondContact O-N 3.2Å; C166-L169 PolarHBondContact O-N 3.25Å; C166-L170 VanDerWaalsContact O-CB 3.28Å; C166-L170 WeakPolarHBondContact O-CB 3.44Å; C166-L170 PolarHBondContact O-N 3.23Å |
| 167 | A | 85.4 | Confident | 80 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.3 | -47.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F152 I163 H164 R165 L169 L170 Y171 V210 A213 | F152-A167 HydrophobicContact CE1-CB 4.49Å; F152-A167 HydrophobicContact CZ-CB 4.22Å; I163-A167 PolarHBondContact O-N 3.49Å; H164-A167 PolarHBondContact O-N 3.18Å; R165-A167 VanDerWaalsContact C-N 3.34Å; A167-L169 VanDerWaalsContact C-N 3.34Å; A167-L169 PolarHBondContact O-N 3.2Å; A167-L170 PolarHBondContact O-N 2.83Å; A167-Y171 PolarHBondContact O-N 3.15Å; A167-V210 HydrophobicContact CB-CG1 4.4Å; A167-A213 HydrophobicContact CB-CB 3.9Å |
| 168 | E | 79.3 | Confident | 79.7 | Confident | 36 Ų | 36 | 42.1 Ų | 42.1 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -45.2 | 174.4 | -72.5 | -176.5 | 145.9 | 0 | 0 | 111.8 | H164 R165 L170 Y171 L172 | H164-E168 IonicContact CE1-OE1 3.71Å; H164-E168 PolarHBondContact CE1-OE1 2.78Å; H164-E168 IonicContact CE1-OE2 3.66Å; H164-E168 IonicContact NE2-OE1 2.83Å; H164-E168 PolarHBondContact NE2-OE1 2.94Å; H164-E168 WeakPolarHBondContact O-CG 3.31Å; H164-E168 PolarHBondContact O-N 3.23Å; R165-E168 IonicContact CZ-OE2 2.65Å; R165-E168 IonicContact NH1-OE1 2.77Å; R165-E168 IonicContact NH1-OE2 3.26Å; R165-E168 PolarHBondContact NH1-OE2 3Å; E168-L170 PolarHBondContact O-N 2.84Å; E168-Y171 WeakPolarHBondContact O-CB 3.47Å; E168-Y171 PolarHBondContact O-N 3.3Å; E168-L172 WeakPolarHBondContact O-CG 3.29Å; E168-L172 PolarHBondContact O-N 3.42Å |
| 169 | L | 76.9 | Confident | 79.8 | Confident | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | -179 | -175 | 61.4 | 0 | 0 | 0 | 111.4 | A124 L138 F144 R165 C166 A167 Y171 L172 M173 | A124-L169 HydrophobicContact CB-CD1 4.12Å; A124-L169 HydrophobicContact CB-CD2 3.82Å; L138-L169 HydrophobicContact CD1-CD1 3.8Å; L138-L169 HydrophobicContact CD1-CD2 4.04Å; L138-L169 HydrophobicContact CD1-CG 4.21Å; F144-L169 HydrophobicContact CE1-CD2 3.58Å; F144-L169 HydrophobicContact CE1-CG 4.47Å; F144-L169 HydrophobicContact CZ-CD2 3.37Å; R165-L169 WeakPolarHBondContact O-CB 3.4Å; R165-L169 PolarHBondContact O-N 3.19Å; C166-L169 PolarHBondContact O-N 3.25Å; A167-L169 VanDerWaalsContact C-N 3.34Å; A167-L169 PolarHBondContact O-N 3.2Å; L169-Y171 VanDerWaalsContact C-N 3.31Å; L169-Y171 PolarHBondContact O-N 3.25Å; L169-L172 CarbonylContact O-C 3.51Å; L169-L172 WeakPolarHBondContact O-CB 3.47Å; L169-L172 PolarHBondContact O-N 2.82Å; L169-L172 VanDerWaalsContact O-N 3.16Å; L169-M173 HydrophobicContact CG-CG 4.5Å; L169-M173 HydrophobicContact CG-SD 4.1Å; L169-M173 VanDerWaalsContact O-CG 3.23Å; L169-M173 WeakPolarHBondContact O-CG 3.46Å; L169-M173 PolarHBondContact O-N 3.42Å |
| 170 | L | 85.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 177 | -174.7 | 64.3 | 0 | 0 | 0 | 111.9 | I148 F152 C166 A167 E168 L172 M173 A174 L183 I188 V192 T217 | I148-L170 HydrophobicContact CG2-CD2 4.37Å; F152-L170 HydrophobicContact CE2-CD2 3.68Å; F152-L170 HydrophobicContact CZ-CD2 4.26Å; C166-L170 VanDerWaalsContact O-CB 3.28Å; C166-L170 WeakPolarHBondContact O-CB 3.44Å; C166-L170 PolarHBondContact O-N 3.23Å; A167-L170 PolarHBondContact O-N 2.83Å; E168-L170 PolarHBondContact O-N 2.84Å; L170-L172 VanDerWaalsContact C-N 3.34Å; L170-L172 PolarHBondContact O-N 2.92Å; L170-M173 HydrophobicContact CD1-CE 4.46Å; L170-M173 HydrophobicContact CD1-SD 4.3Å; L170-M173 WeakPolarHBondContact O-CB 3.25Å; L170-M173 PolarHBondContact O-N 3.21Å; L170-A174 PolarHBondContact O-N 3.23Å; L170-L183 HydrophobicContact CD1-CD1 4.47Å; L170-L183 HydrophobicContact CD1-CD2 4.1Å; L170-I188 HydrophobicContact CD1-CD1 4.16Å; L170-I188 HydrophobicContact CD1-CG2 3.99Å; L170-I188 HydrophobicContact CD2-CD1 4.46Å; L170-I188 HydrophobicContact CD2-CG2 3.68Å; L170-I188 HydrophobicContact CG-CG2 4.23Å; L170-V192 HydrophobicContact CD2-CG2 3.33Å; L170-T217 HydrophobicContact CD2-CG2 4.08Å; L170-T217 HydrophobicContact CG-CG2 3.92Å |
| 171 | Y | 83.2 | Confident | 80.7 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.2 | -46.2 | 171.7 | 169.1 | -111.4 | 0 | 0 | 0 | 111.7 | A167 E168 L169 M173 A174 K175 T217 L220 | A167-Y171 PolarHBondContact O-N 3.15Å; E168-Y171 WeakPolarHBondContact O-CB 3.47Å; E168-Y171 PolarHBondContact O-N 3.3Å; L169-Y171 VanDerWaalsContact C-N 3.31Å; L169-Y171 PolarHBondContact O-N 3.25Å; Y171-M173 VanDerWaalsContact C-N 3.33Å; Y171-M173 PolarHBondContact O-N 2.79Å; Y171-A174 PolarHBondContact O-N 2.79Å; Y171-K175 PolarHBondContact O-N 3.46Å; Y171-T217 VanDerWaalsContact CA-OG1 3.24Å; Y171-T217 WeakPolarHBondContact CA-OG1 3.34Å; Y171-T217 PolarHBondContact N-OG1 3.26Å; Y171-L220 HydrophobicContact CD2-CD1 3.65Å; Y171-L220 HydrophobicContact CE2-CD1 3.54Å; Y171-L220 HydrophobicContact CE2-CG 4.39Å |
| 172 | L | 78.2 | Confident | 81.4 | Confident | 23 Ų | 23 | 33.2 Ų | 33.2 | 12% | 0.12 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64 | -36.6 | 175.3 | -65.5 | 175.1 | 0 | 0 | 0 | 112.4 | A135 E168 L169 L170 A174 K175 P176 | A135-L172 HydrophobicContact CB-CB 3.84Å; E168-L172 WeakPolarHBondContact O-CG 3.29Å; E168-L172 PolarHBondContact O-N 3.42Å; L169-L172 CarbonylContact O-C 3.51Å; L169-L172 WeakPolarHBondContact O-CB 3.47Å; L169-L172 PolarHBondContact O-N 2.82Å; L169-L172 VanDerWaalsContact O-N 3.16Å; L170-L172 VanDerWaalsContact C-N 3.34Å; L170-L172 PolarHBondContact O-N 2.92Å; L172-A174 VanDerWaalsContact C-N 3.28Å; L172-A174 PolarHBondContact O-N 3.03Å; L172-K175 HydrophobicContact CD2-CD 4.07Å; L172-K175 PolarHBondContact O-N 2.8Å; L172-P176 WeakPolarHBondContact O-CD 3.37Å |
| 173 | M | 80.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.9 | -31.5 | 175 | -69.7 | 163.7 | 69.2 | 0 | 0 | 112 | A135 L138 F144 V145 I148 L169 L170 Y171 P176 T179 L183 | A135-M173 HydrophobicContact CB-CG 4.03Å; A135-M173 WeakPolarHBondContact O-CG 2.97Å; L138-M173 HydrophobicContact CB-CE 4.11Å; L138-M173 HydrophobicContact CB-CG 4.23Å; L138-M173 HydrophobicContact CB-SD 4.2Å; F144-M173 HydrophobicContact CD1-CE 4.14Å; F144-M173 HydrophobicContact CD1-SD 4.38Å; F144-M173 HydrophobicContact CE1-CE 4.38Å; F144-M173 HydrophobicContact CE1-SD 4.02Å; V145-M173 HydrophobicContact CG2-CE 4.23Å; I148-M173 HydrophobicContact CD1-CE 4.22Å; I148-M173 HydrophobicContact CD1-SD 3.74Å; L169-M173 HydrophobicContact CG-CG 4.5Å; L169-M173 HydrophobicContact CG-SD 4.1Å; L169-M173 VanDerWaalsContact O-CG 3.23Å; L169-M173 WeakPolarHBondContact O-CG 3.46Å; L169-M173 PolarHBondContact O-N 3.42Å; L170-M173 HydrophobicContact CD1-CE 4.46Å; L170-M173 HydrophobicContact CD1-SD 4.3Å; L170-M173 WeakPolarHBondContact O-CB 3.25Å; L170-M173 PolarHBondContact O-N 3.21Å; Y171-M173 VanDerWaalsContact C-N 3.33Å; Y171-M173 PolarHBondContact O-N 2.79Å; M173-P176 WeakPolarHBondContact O-CD 3.42Å; M173-T179 WeakPolarHBondContact O-CB 3.13Å; M173-T179 PolarHBondContact O-OG1 3.2Å; M173-L183 HydrophobicContact CB-CD1 4.19Å; M173-L183 HydrophobicContact CE-CD2 4.05Å |
| 174 | A | 84.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -83.3 | -15.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | L170 Y171 L172 R180 L183 T217 L220 L221 | L170-A174 PolarHBondContact O-N 3.23Å; Y171-A174 PolarHBondContact O-N 2.79Å; L172-A174 VanDerWaalsContact C-N 3.28Å; L172-A174 PolarHBondContact O-N 3.03Å; A174-R180 WeakPolarHBondContact O-CG 3.1Å; A174-R180 PolarHBondContact O-NE 2.96Å; A174-R180 VanDerWaalsContact O-NE 3.15Å; A174-L183 HydrophobicContact CB-CD1 3.89Å; A174-T217 HydrophobicContact CB-CG2 4.14Å; A174-L220 HydrophobicContact CB-CB 3.91Å; A174-L220 HydrophobicContact CB-CD1 3.8Å; A174-L221 HydrophobicContact CB-CD2 4.01Å |
| 175 | K | 79.2 | Confident | 83.1 | Confident | 30 Ų | 30 | 35.3 Ų | 35.3 | 13% | 0.13 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -56.1 | -51.6 | 179.7 | -85.7 | -173.1 | 170 | -169.2 | 0 | 112.2 | Y171 L172 R180 L220 D326 | Y171-K175 PolarHBondContact O-N 3.46Å; L172-K175 HydrophobicContact CD2-CD 4.07Å; L172-K175 PolarHBondContact O-N 2.8Å; K175-R180 PolarHBondContact O-NH2 3.21Å; K175-L220 HydrophobicContact CG-CD1 4.12Å; K175-D326 IonicContact NZ-OD2 2.67Å; K175-D326 PolarHBondContact NZ-OD2 2.81Å |
| 176 | P | 75.5 | Confident | 83.8 | Confident | 25 Ų | 25 | 31.4 Ų | 31.4 | 16% | 0.162 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -61.6 | 137 | 175.7 | -19.1 | 30.6 | 0 | 0 | 0 | 112.5 | G132 A136 L172 M173 S178 T179 R180 | G132-P176 WeakPolarHBondContact O-CG 3.39Å; A136-P176 HydrophobicContact CB-CB 4.25Å; A136-P176 HydrophobicContact CB-CG 3.76Å; L172-P176 WeakPolarHBondContact O-CD 3.37Å; M173-P176 WeakPolarHBondContact O-CD 3.42Å; P176-S178 VanDerWaalsContact C-N 3.3Å; P176-S178 PolarHBondContact O-N 2.74Å; P176-T179 HydrophobicContact CB-CG2 3.96Å; P176-T179 HydrophobicContact CG-CG2 4.27Å; P176-T179 PolarHBondContact O-N 2.67Å; P176-T179 PolarHBondContact O-OG1 3.34Å; P176-R180 WeakPolarHBondContact O-CG 3.24Å |
| 177 | K | 78.1 | Confident | 84.3 | Confident | 103 Ų | 103 | 32.4 Ų | 32.4 | 45% | 0.448 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.8 | -35.6 | 177.4 | -75 | 177.8 | 173.7 | 178.4 | 0 | 113.2 | T179 R180 E307 | K177-T179 PolarHBondContact O-N 3.49Å; K177-R180 PolarHBondContact O-N 3.19Å; K177-E307 IonicContact NZ-OE1 2.84Å; K177-E307 PolarHBondContact NZ-OE1 3.44Å |
| 178 | S | 78.2 | Confident | 84.7 | Confident | 89 Ų | 89 | 32.3 Ų | 32.3 | 62% | 0.622 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -67.1 | -16.6 | -175.1 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | P176 | P176-S178 VanDerWaalsContact C-N 3.3Å; P176-S178 PolarHBondContact O-N 2.74Å |
| 179 | T | 82.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -101.3 | -21.7 | -173.9 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | A136 S139 M173 P176 K177 L181 I182 L183 | A136-T179 HydrophobicContact CB-CG2 3.7Å; S139-T179 VanDerWaalsContact OG-CB 3.27Å; S139-T179 WeakPolarHBondContact OG-CB 3.14Å; S139-T179 WeakPolarHBondContact OG-CG2 3.21Å; M173-T179 WeakPolarHBondContact O-CB 3.13Å; M173-T179 PolarHBondContact O-OG1 3.2Å; P176-T179 HydrophobicContact CB-CG2 3.96Å; P176-T179 HydrophobicContact CG-CG2 4.27Å; P176-T179 PolarHBondContact O-N 2.67Å; P176-T179 PolarHBondContact O-OG1 3.34Å; K177-T179 PolarHBondContact O-N 3.49Å; T179-L181 PolarHBondContact O-N 3.39Å; T179-I182 WeakPolarHBondContact O-CB 3.31Å; T179-I182 PolarHBondContact O-N 2.96Å; T179-I182 VanDerWaalsContact O-N 3.07Å; T179-L183 WeakPolarHBondContact O-CG 3.45Å; T179-L183 PolarHBondContact O-N 3.21Å |
| 180 | R | 87.9 | Confident | 86.3 | Confident | 13 Ų | 13 | 33.2 Ų | 33.2 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -44.6 | -174.4 | -64 | 169.5 | -169.5 | 175.2 | 9.5 | 112.5 | A174 K175 P176 K177 I182 L183 V184 L220 L221 S223 T224 | A174-R180 WeakPolarHBondContact O-CG 3.1Å; A174-R180 PolarHBondContact O-NE 2.96Å; A174-R180 VanDerWaalsContact O-NE 3.15Å; K175-R180 PolarHBondContact O-NH2 3.21Å; P176-R180 WeakPolarHBondContact O-CG 3.24Å; K177-R180 PolarHBondContact O-N 3.19Å; R180-I182 VanDerWaalsContact C-N 3.33Å; R180-I182 PolarHBondContact O-N 3.43Å; R180-L183 PolarHBondContact O-N 2.79Å; R180-V184 WeakPolarHBondContact O-CB 3.23Å; R180-V184 VanDerWaalsContact O-CG2 3.24Å; R180-V184 WeakPolarHBondContact O-CG2 3.37Å; R180-V184 PolarHBondContact O-N 3.25Å; R180-L220 WeakPolarHBondContact CD-O 3.4Å; R180-L221 HydrophobicContact CB-CD2 4.04Å; R180-L221 HydrophobicContact CG-CD2 4.22Å; R180-S223 WeakPolarHBondContact CD-OG 3.42Å; R180-S223 PolarHBondContact NH1-OG 3.33Å; R180-T224 HydrophobicContact CB-CG2 4.01Å |
| 181 | L | 88.7 | Confident | 86.7 | Confident | 108 Ų | 108 | 33.7 Ų | 33.7 | 57% | 0.565 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -65 | -37.5 | 178 | -71 | 176 | 0 | 0 | 0 | 112.3 | T179 V184 S185 T224 A226 | T179-L181 PolarHBondContact O-N 3.39Å; L181-V184 PolarHBondContact O-N 2.78Å; L181-S185 WeakPolarHBondContact O-CB 3.25Å; L181-S185 PolarHBondContact O-N 2.6Å; L181-S185 PolarHBondContact O-OG 2.66Å; L181-T224 HydrophobicContact CD2-CG2 4Å; L181-T224 HydrophobicContact CG-CG2 4.35Å; L181-A226 HydrophobicContact CD2-CB 4.23Å |
| 182 | I | 88.3 | Confident | 87.2 | Confident | 54 Ų | 54 | 33.5 Ų | 33.5 | 28% | 0.277 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.5 | -44.2 | 176.9 | -58 | 172.1 | 0 | 0 | 0 | 110.1 | S139 K140 T179 R180 S185 N186 | S139-I182 WeakPolarHBondContact O-CG2 3.44Å; K140-I182 HydrophobicContact CG-CD1 4.36Å; T179-I182 WeakPolarHBondContact O-CB 3.31Å; T179-I182 PolarHBondContact O-N 2.96Å; T179-I182 VanDerWaalsContact O-N 3.07Å; R180-I182 VanDerWaalsContact C-N 3.33Å; R180-I182 PolarHBondContact O-N 3.43Å; I182-S185 PolarHBondContact O-N 3.37Å; I182-S185 PolarHBondContact O-OG 3.06Å; I182-N186 WeakPolarHBondContact O-CB 3.44Å; I182-N186 PolarHBondContact O-N 3.3Å; I182-N186 PolarHBondContact O-ND2 2.94Å |
| 183 | L | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 177.9 | -65 | 174 | 0 | 0 | 0 | 111.5 | V145 L170 M173 A174 T179 R180 N186 I188 L221 | V145-L183 HydrophobicContact CG2-CD2 4.45Å; L170-L183 HydrophobicContact CD1-CD1 4.47Å; L170-L183 HydrophobicContact CD1-CD2 4.1Å; M173-L183 HydrophobicContact CB-CD1 4.19Å; M173-L183 HydrophobicContact CE-CD2 4.05Å; A174-L183 HydrophobicContact CB-CD1 3.89Å; T179-L183 WeakPolarHBondContact O-CG 3.45Å; T179-L183 PolarHBondContact O-N 3.21Å; R180-L183 PolarHBondContact O-N 2.79Å; L183-N186 PolarHBondContact O-N 3.12Å; L183-I188 HydrophobicContact CB-CB 4.32Å; L183-I188 HydrophobicContact CB-CG1 4.28Å; L183-I188 HydrophobicContact CD2-CG1 4.22Å; L183-I188 VanDerWaalsContact O-CB 3.24Å; L183-I188 WeakPolarHBondContact O-CB 2.92Å; L183-I188 WeakPolarHBondContact O-CG1 3.12Å; L183-I188 PolarHBondContact O-N 3.23Å; L183-L221 HydrophobicContact CB-CD1 4.45Å; L183-L221 HydrophobicContact CB-CD2 3.86Å; L183-L221 HydrophobicContact CD1-CD2 4.08Å |
| 184 | V | 92.3 | Very high | 88.6 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -48.6 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | R180 L181 N186 G187 V189 L221 A226 | R180-V184 WeakPolarHBondContact O-CB 3.23Å; R180-V184 VanDerWaalsContact O-CG2 3.24Å; R180-V184 WeakPolarHBondContact O-CG2 3.37Å; R180-V184 PolarHBondContact O-N 3.25Å; L181-V184 PolarHBondContact O-N 2.78Å; V184-N186 PolarHBondContact O-N 3.27Å; V184-G187 PolarHBondContact O-N 3.27Å; V184-V189 HydrophobicContact CG2-CG2 4.12Å; V184-L221 HydrophobicContact CG2-CB 3.94Å; V184-L221 HydrophobicContact CG2-CD1 4.38Å; V184-L221 HydrophobicContact CG2-CD2 4.26Å; V184-L221 HydrophobicContact CG2-CG 4.4Å; V184-A226 HydrophobicContact CG1-CB 3.9Å |
| 185 | S | 91.2 | Very high | 89 | Confident | 95 Ų | 95 | 36.8 Ų | 36.8 | 66% | 0.664 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -64.7 | -25.4 | -179.8 | 69.8 | 0 | 0 | 0 | 0 | 113.4 | L181 I182 G187 | L181-S185 WeakPolarHBondContact O-CB 3.25Å; L181-S185 PolarHBondContact O-N 2.6Å; L181-S185 PolarHBondContact O-OG 2.66Å; I182-S185 PolarHBondContact O-N 3.37Å; I182-S185 PolarHBondContact O-OG 3.06Å; S185-G187 PolarHBondContact O-N 2.85Å |
| 186 | N | 91.3 | Very high | 89.6 | Confident | 37 Ų | 37 | 35.4 Ų | 35.4 | 20% | 0.198 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 6.1 | 174.7 | -82.2 | -88.7 | 0 | 0 | 0 | 113.7 | V145 K149 I182 L183 V184 I188 | V145-N186 HydrophobicContact CG1-CB 3.72Å; K149-N186 PolarHBondContact NZ-O 2.87Å; I182-N186 WeakPolarHBondContact O-CB 3.44Å; I182-N186 PolarHBondContact O-N 3.3Å; I182-N186 PolarHBondContact O-ND2 2.94Å; L183-N186 PolarHBondContact O-N 3.12Å; V184-N186 PolarHBondContact O-N 3.27Å; N186-I188 VanDerWaalsContact C-N 3.35Å; N186-I188 PolarHBondContact O-N 3.43Å |
| 187 | G | 92.3 | Very high | 90.3 | Very high | 23 Ų | 23 | 38.8 Ų | 38.8 | 24% | 0.237 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 23 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V184 S185 V189 Q190 S191 | V184-G187 PolarHBondContact O-N 3.27Å; S185-G187 PolarHBondContact O-N 2.85Å; G187-V189 VanDerWaalsContact C-N 3.28Å; G187-V189 PolarHBondContact O-N 3Å; G187-Q190 PolarHBondContact O-N 3.2Å; G187-S191 PolarHBondContact O-N 2.72Å |
| 188 | I | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -31.6 | -178.4 | -73 | -69.9 | 0 | 0 | 0 | 112.5 | V145 K149 L170 L183 N186 Q190 S191 V192 L221 | V145-I188 HydrophobicContact CG1-CD1 3.73Å; V145-I188 HydrophobicContact CG1-CG1 3.92Å; K149-I188 HydrophobicContact CD-CD1 4.16Å; K149-I188 HydrophobicContact CG-CD1 3.78Å; L170-I188 HydrophobicContact CD1-CD1 4.16Å; L170-I188 HydrophobicContact CD1-CG2 3.99Å; L170-I188 HydrophobicContact CD2-CD1 4.46Å; L170-I188 HydrophobicContact CD2-CG2 3.68Å; L170-I188 HydrophobicContact CG-CG2 4.23Å; L183-I188 HydrophobicContact CB-CB 4.32Å; L183-I188 HydrophobicContact CB-CG1 4.28Å; L183-I188 HydrophobicContact CD2-CG1 4.22Å; L183-I188 VanDerWaalsContact O-CB 3.24Å; L183-I188 WeakPolarHBondContact O-CB 2.92Å; L183-I188 WeakPolarHBondContact O-CG1 3.12Å; L183-I188 PolarHBondContact O-N 3.23Å; N186-I188 VanDerWaalsContact C-N 3.35Å; N186-I188 PolarHBondContact O-N 3.43Å; I188-Q190 VanDerWaalsContact C-N 3.32Å; I188-Q190 PolarHBondContact O-N 3.21Å; I188-S191 PolarHBondContact O-N 2.71Å; I188-V192 HydrophobicContact CG2-CG2 3.74Å; I188-V192 WeakPolarHBondContact O-CB 3.3Å; I188-V192 VanDerWaalsContact O-CG2 3.25Å; I188-V192 WeakPolarHBondContact O-CG2 3.08Å; I188-V192 PolarHBondContact O-N 2.61Å; I188-L221 HydrophobicContact CB-CD1 4.46Å; I188-L221 HydrophobicContact CG2-CD1 3.9Å |
| 189 | V | 94.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.5 | -47.5 | 179.4 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | V184 G187 V192 M193 L221 T230 L231 | V184-V189 HydrophobicContact CG2-CG2 4.12Å; G187-V189 VanDerWaalsContact C-N 3.28Å; G187-V189 PolarHBondContact O-N 3Å; V189-V192 PolarHBondContact O-N 3.06Å; V189-M193 WeakPolarHBondContact O-CB 3.38Å; V189-M193 VanDerWaalsContact O-CG 3.25Å; V189-M193 WeakPolarHBondContact O-CG 3.12Å; V189-M193 PolarHBondContact O-N 2.78Å; V189-L221 HydrophobicContact CG2-CB 4.33Å; V189-L221 HydrophobicContact CG2-CD1 3.8Å; V189-T230 HydrophobicContact CB-CG2 3.8Å; V189-T230 HydrophobicContact CG1-CG2 4.18Å; V189-T230 HydrophobicContact CG2-CG2 4.22Å; V189-L231 HydrophobicContact CG1-CB 4.08Å; V189-L231 HydrophobicContact CG1-CD1 3.97Å |
| 190 | Q | 94.7 | Very high | 91.6 | Very high | 75 Ų | 75 | 31.9 Ų | 31.9 | 35% | 0.35 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.2 | -55.6 | 176.2 | -177.6 | 68.5 | 39.7 | 0 | 0 | 111.4 | G187 I188 V192 M193 E194 | G187-Q190 PolarHBondContact O-N 3.2Å; I188-Q190 VanDerWaalsContact C-N 3.32Å; I188-Q190 PolarHBondContact O-N 3.21Å; Q190-V192 VanDerWaalsContact C-N 3.27Å; Q190-V192 PolarHBondContact O-N 2.73Å; Q190-M193 PolarHBondContact O-N 3.39Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.36Å; Q190-E194 PolarHBondContact NE2-OE1 3.33Å; Q190-E194 WeakPolarHBondContact O-CG 3.14Å; Q190-E194 PolarHBondContact O-N 2.93Å |
| 191 | S | 94.1 | Very high | 91.2 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -34.6 | -176.5 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | G187 I188 L195 | G187-S191 PolarHBondContact O-N 2.72Å; I188-S191 PolarHBondContact O-N 2.71Å; S191-L195 WeakPolarHBondContact O-CB 3.24Å; S191-L195 PolarHBondContact O-N 3.37Å; S191-L195 VanDerWaalsContact O-N 3.12Å |
| 192 | V | 94.4 | Very high | 91 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.6 | -35.2 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | F152 L170 I188 V189 Q190 F196 A214 T217 V218 | F152-V192 HydrophobicContact CE2-CG2 4.2Å; L170-V192 HydrophobicContact CD2-CG2 3.33Å; I188-V192 HydrophobicContact CG2-CG2 3.74Å; I188-V192 WeakPolarHBondContact O-CB 3.3Å; I188-V192 VanDerWaalsContact O-CG2 3.25Å; I188-V192 WeakPolarHBondContact O-CG2 3.08Å; I188-V192 PolarHBondContact O-N 2.61Å; V189-V192 PolarHBondContact O-N 3.06Å; Q190-V192 VanDerWaalsContact C-N 3.27Å; Q190-V192 PolarHBondContact O-N 2.73Å; V192-F196 WeakPolarHBondContact O-CB 3.39Å; V192-F196 PolarHBondContact O-N 3.37Å; V192-A214 HydrophobicContact CG1-CB 3.55Å; V192-A214 WeakPolarHBondContact CG1-O 3.23Å; V192-T217 HydrophobicContact CG2-CG2 4.32Å; V192-V218 HydrophobicContact CB-CG2 4.45Å; V192-V218 HydrophobicContact CG1-CG2 3.76Å |
| 193 | M | 93.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71 | -39.4 | 177.4 | -72.9 | -55.5 | -55.1 | 0 | 0 | 112.2 | V189 Q190 F196 Q197 V218 L231 I239 F240 | V189-M193 WeakPolarHBondContact O-CB 3.38Å; V189-M193 VanDerWaalsContact O-CG 3.25Å; V189-M193 WeakPolarHBondContact O-CG 3.12Å; V189-M193 PolarHBondContact O-N 2.78Å; Q190-M193 PolarHBondContact O-N 3.39Å; M193-F196 HydrophobicContact CE-CD1 4.37Å; M193-F196 PolarHBondContact O-N 3.5Å; M193-Q197 PolarHBondContact O-N 3.22Å; M193-V218 HydrophobicContact CG-CG2 4.46Å; M193-V218 HydrophobicContact SD-CG1 4.48Å; M193-V218 HydrophobicContact SD-CG2 3.83Å; M193-L231 HydrophobicContact CE-CD1 4.36Å; M193-L231 HydrophobicContact CG-CD1 3.71Å; M193-L231 HydrophobicContact SD-CD1 3.63Å; M193-I239 HydrophobicContact CB-CD1 4.35Å; M193-I239 HydrophobicContact CE-CB 4.11Å; M193-I239 HydrophobicContact CE-CD1 4Å; M193-I239 HydrophobicContact CE-CG2 3.91Å; M193-F240 HydrophobicContact CE-CD1 4.2Å; M193-F240 HydrophobicContact CE-CE1 3.55Å; M193-F240 HydrophobicContact CE-CZ 3.74Å; M193-F240 HydrophobicContact SD-CE1 4.14Å; M193-F240 HydrophobicContact SD-CZ 3.88Å |
| 194 | E | 93 | Very high | 89.7 | Confident | 89 Ų | 89 | 44.8 Ų | 44.8 | 42% | 0.416 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 171.6 | -71.2 | 167.8 | -179.5 | 0 | 0 | 111.1 | Q190 F196 Q197 A198 | Q190-E194 WeakPolarHBondContact CG-OE1 3.36Å; Q190-E194 PolarHBondContact NE2-OE1 3.33Å; Q190-E194 WeakPolarHBondContact O-CG 3.14Å; Q190-E194 PolarHBondContact O-N 2.93Å; E194-F196 PolarHBondContact O-N 3.31Å; E194-Q197 PolarHBondContact O-N 2.97Å; E194-A198 WeakPolarHBondContact O-CB 3.36Å; E194-A198 PolarHBondContact O-N 3.21Å |
| 195 | L | 93.1 | Very high | 89 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 174.9 | -173.2 | 75.3 | 0 | 0 | 0 | 111.3 | F152 I163 S191 Q197 A198 F199 V210 | F152-L195 HydrophobicContact CB-CD1 4.3Å; F152-L195 HydrophobicContact CD1-CD1 4.12Å; F152-L195 HydrophobicContact CD1-CD2 3.72Å; F152-L195 HydrophobicContact CD1-CG 4.49Å; F152-L195 HydrophobicContact CD2-CD2 3.95Å; F152-L195 HydrophobicContact CE1-CD2 3.65Å; F152-L195 HydrophobicContact CE2-CD2 3.89Å; F152-L195 HydrophobicContact CG-CD1 4.25Å; F152-L195 HydrophobicContact CG-CD2 3.88Å; F152-L195 HydrophobicContact CG-CG 4.45Å; F152-L195 HydrophobicContact CZ-CD2 3.76Å; I163-L195 HydrophobicContact CG2-CD1 3.89Å; I163-L195 HydrophobicContact CG2-CD2 4.45Å; S191-L195 WeakPolarHBondContact O-CB 3.24Å; S191-L195 PolarHBondContact O-N 3.37Å; S191-L195 VanDerWaalsContact O-N 3.12Å; L195-Q197 PolarHBondContact O-N 3.35Å; L195-A198 PolarHBondContact O-N 3.23Å; L195-F199 HydrophobicContact CD1-CD2 3.71Å; L195-F199 HydrophobicContact CD1-CE2 3.45Å; L195-F199 VanDerWaalsContact CD1-CE2 3.45Å; L195-F199 HydrophobicContact CD1-CZ 4.42Å; L195-F199 HydrophobicContact CG-CD2 4.09Å; L195-F199 HydrophobicContact CG-CE2 4.31Å; L195-F199 VanDerWaalsContact O-CD2 3.26Å; L195-F199 WeakPolarHBondContact O-CD2 3.34Å; L195-F199 PolarHBondContact O-N 3.1Å; L195-F199 VanDerWaalsContact O-N 3.1Å; L195-V210 HydrophobicContact CD2-CG1 3.72Å; L195-V210 HydrophobicContact CG-CG1 3.97Å |
| 196 | F | 92.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.3 | -49.1 | 176.9 | 173.7 | -96.6 | 0 | 0 | 0 | 111.1 | V192 M193 E194 A198 F199 F200 C211 A214 L215 I239 F240 M264 | V192-F196 WeakPolarHBondContact O-CB 3.39Å; V192-F196 PolarHBondContact O-N 3.37Å; M193-F196 HydrophobicContact CE-CD1 4.37Å; M193-F196 PolarHBondContact O-N 3.5Å; E194-F196 PolarHBondContact O-N 3.31Å; F196-A198 VanDerWaalsContact C-N 3.34Å; F196-A198 PolarHBondContact O-N 3.34Å; F196-F199 PolarHBondContact O-N 3.34Å; F196-F200 HydrophobicContact CE1-CB 4.27Å; F196-F200 HydrophobicContact CE1-CD2 4.18Å; F196-F200 HydrophobicContact CE1-CG 4.24Å; F196-F200 HydrophobicContact CE2-CB 4.49Å; F196-F200 AromaticContact CE2-CD2 3.81Å; F196-F200 HydrophobicContact CE2-CD2 3.81Å; F196-F200 HydrophobicContact CE2-CG 4.47Å; F196-F200 HydrophobicContact CZ-CB 4.18Å; F196-F200 AromaticContact CZ-CD2 3.4Å; F196-F200 HydrophobicContact CZ-CD2 3.4Å; F196-F200 AromaticContact CZ-CE2 3.97Å; F196-F200 HydrophobicContact CZ-CE2 3.97Å; F196-F200 AromaticContact CZ-CG 3.9Å; F196-F200 HydrophobicContact CZ-CG 3.9Å; F196-F200 VanDerWaalsContact O-CB 3.23Å; F196-F200 WeakPolarHBondContact O-CB 3.24Å; F196-F200 PolarHBondContact O-N 3.31Å; F196-C211 HydrophobicContact CD2-CB 3.98Å; F196-C211 HydrophobicContact CE2-CB 3.97Å; F196-A214 HydrophobicContact CB-CB 4.16Å; F196-A214 HydrophobicContact CD2-CB 4.45Å; F196-L215 HydrophobicContact CD2-CD2 3.91Å; F196-L215 HydrophobicContact CD2-CG 3.97Å; F196-L215 HydrophobicContact CE2-CD1 3.93Å; F196-L215 HydrophobicContact CE2-CD2 3.74Å; F196-L215 HydrophobicContact CE2-CG 3.69Å; F196-L215 HydrophobicContact CG-CD2 4.42Å; F196-L215 HydrophobicContact CZ-CD1 4.42Å; F196-L215 HydrophobicContact CZ-CD2 4.13Å; F196-L215 HydrophobicContact CZ-CG 4.43Å; F196-I239 HydrophobicContact CD1-CG2 4.23Å; F196-I239 HydrophobicContact CE1-CG2 4.38Å; F196-F240 HydrophobicContact CD1-CE1 4.37Å; F196-F240 HydrophobicContact CE1-CD1 4.2Å; F196-F240 HydrophobicContact CE1-CE1 4.1Å; F196-M264 HydrophobicContact CE1-SD 4.09Å; F196-M264 HydrophobicContact CZ-CG 4.31Å; F196-M264 HydrophobicContact CZ-SD 3.57Å; F196-M264 VanDerWaalsContact CZ-SD 3.57Å |
| 197 | Q | 90.3 | Very high | 88.1 | Confident | 97 Ų | 97 | 48.4 Ų | 48.4 | 45% | 0.453 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 179.9 | -169.3 | 175.8 | 19.9 | 0 | 0 | 112.3 | M193 E194 L195 F199 I239 | M193-Q197 PolarHBondContact O-N 3.22Å; E194-Q197 PolarHBondContact O-N 2.97Å; L195-Q197 PolarHBondContact O-N 3.35Å; Q197-F199 VanDerWaalsContact C-N 3.31Å; Q197-F199 PolarHBondContact O-N 2.74Å; Q197-I239 HydrophobicContact CB-CG2 4.4Å |
| 198 | A | 90.1 | Very high | 87.6 | Confident | 22 Ų | 22 | 49.8 Ų | 49.8 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -27.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y155 E194 L195 F196 K202 | Y155-A198 HydrophobicContact CD1-CB 4.44Å; Y155-A198 HydrophobicContact CD2-CB 4.41Å; Y155-A198 HydrophobicContact CE1-CB 3.85Å; Y155-A198 HydrophobicContact CE2-CB 3.84Å; E194-A198 WeakPolarHBondContact O-CB 3.36Å; E194-A198 PolarHBondContact O-N 3.21Å; L195-A198 PolarHBondContact O-N 3.23Å; F196-A198 VanDerWaalsContact C-N 3.34Å; F196-A198 PolarHBondContact O-N 3.34Å; A198-K202 WeakPolarHBondContact O-CE 3.48Å |
| 199 | F | 89.9 | Confident | 87 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -102.1 | -21.8 | -177.2 | -79.4 | -99.4 | 0 | 0 | 0 | 113.7 | Y155 M160 I163 L195 F196 Q197 A201 K202 A207 V210 | Y155-F199 AromaticContact CD2-CE2 3.74Å; Y155-F199 HydrophobicContact CD2-CE2 3.74Å; Y155-F199 HydrophobicContact CD2-CZ 4.23Å; Y155-F199 AromaticContact CG-CE2 3.97Å; Y155-F199 HydrophobicContact CG-CE2 3.97Å; M160-F199 HydrophobicContact CE-CE1 3.74Å; M160-F199 HydrophobicContact SD-CE1 3.64Å; M160-F199 HydrophobicContact SD-CZ 4.46Å; I163-F199 HydrophobicContact CD1-CZ 3.85Å; I163-F199 HydrophobicContact CG2-CE1 4.5Å; I163-F199 HydrophobicContact CG2-CE2 4.25Å; I163-F199 HydrophobicContact CG2-CZ 3.89Å; L195-F199 HydrophobicContact CD1-CD2 3.71Å; L195-F199 HydrophobicContact CD1-CE2 3.45Å; L195-F199 VanDerWaalsContact CD1-CE2 3.45Å; L195-F199 HydrophobicContact CD1-CZ 4.42Å; L195-F199 HydrophobicContact CG-CD2 4.09Å; L195-F199 HydrophobicContact CG-CE2 4.31Å; L195-F199 VanDerWaalsContact O-CD2 3.26Å; L195-F199 WeakPolarHBondContact O-CD2 3.34Å; L195-F199 PolarHBondContact O-N 3.1Å; L195-F199 VanDerWaalsContact O-N 3.1Å; F196-F199 PolarHBondContact O-N 3.34Å; Q197-F199 VanDerWaalsContact C-N 3.31Å; Q197-F199 PolarHBondContact O-N 2.74Å; F199-A201 VanDerWaalsContact C-N 3.27Å; F199-A201 PolarHBondContact O-N 3.5Å; F199-K202 HydrophobicContact CD1-CD 4.1Å; F199-K202 HydrophobicContact CE1-CD 4.4Å; F199-K202 WeakPolarHBondContact O-CB 3.28Å; F199-K202 PolarHBondContact O-N 2.71Å; F199-A207 HydrophobicContact CB-CB 4.35Å; F199-A207 HydrophobicContact CD1-CB 3.8Å; F199-V210 HydrophobicContact CB-CG1 4.32Å; F199-V210 HydrophobicContact CD1-CB 4.35Å; F199-V210 HydrophobicContact CD1-CG1 4.25Å; F199-V210 HydrophobicContact CD2-CG1 4.36Å; F199-V210 HydrophobicContact CG-CG1 4.04Å |
| 200 | F | 85.1 | Confident | 86.7 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -32.6 | -177 | -175.3 | -102.1 | 0 | 0 | 0 | 113.1 | F196 K202 S243 Y261 M264 | F196-F200 HydrophobicContact CE1-CB 4.27Å; F196-F200 HydrophobicContact CE1-CD2 4.18Å; F196-F200 HydrophobicContact CE1-CG 4.24Å; F196-F200 HydrophobicContact CE2-CB 4.49Å; F196-F200 AromaticContact CE2-CD2 3.81Å; F196-F200 HydrophobicContact CE2-CD2 3.81Å; F196-F200 HydrophobicContact CE2-CG 4.47Å; F196-F200 HydrophobicContact CZ-CB 4.18Å; F196-F200 AromaticContact CZ-CD2 3.4Å; F196-F200 HydrophobicContact CZ-CD2 3.4Å; F196-F200 AromaticContact CZ-CE2 3.97Å; F196-F200 HydrophobicContact CZ-CE2 3.97Å; F196-F200 AromaticContact CZ-CG 3.9Å; F196-F200 HydrophobicContact CZ-CG 3.9Å; F196-F200 VanDerWaalsContact O-CB 3.23Å; F196-F200 WeakPolarHBondContact O-CB 3.24Å; F196-F200 PolarHBondContact O-N 3.31Å; F200-K202 VanDerWaalsContact C-N 3.29Å; F200-K202 PolarHBondContact O-N 3.42Å; F200-S243 VanDerWaalsContact CE1-CB 3.45Å; F200-Y261 HydrophobicContact CZ-CE1 4.15Å; F200-M264 HydrophobicContact CE2-CE 3.94Å; F200-M264 HydrophobicContact CE2-SD 4.31Å; F200-M264 HydrophobicContact CZ-CE 3.98Å |
| 201 | A | 80.1 | Confident | 86.4 | Confident | 91 Ų | 91 | 47.6 Ų | 47.6 | 75% | 0.752 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | F199 | F199-A201 VanDerWaalsContact C-N 3.27Å; F199-A201 PolarHBondContact O-N 3.5Å |
| 202 | K | 83.7 | Confident | 86 | Confident | 68 Ų | 68 | 47.8 Ų | 47.8 | 30% | 0.296 | 25% | 0.245 | S | C | . | . | trans | -92.5 | 132.9 | -179.1 | -61 | -174.5 | 178.7 | -175.8 | 0 | 110.3 | A198 F199 F200 E204 A207 | A198-K202 WeakPolarHBondContact O-CE 3.48Å; F199-K202 HydrophobicContact CD1-CD 4.1Å; F199-K202 HydrophobicContact CE1-CD 4.4Å; F199-K202 WeakPolarHBondContact O-CB 3.28Å; F199-K202 PolarHBondContact O-N 2.71Å; F200-K202 VanDerWaalsContact C-N 3.29Å; F200-K202 PolarHBondContact O-N 3.42Å; K202-E204 VanDerWaalsContact C-N 3.32Å; K202-E204 PolarHBondContact O-N 3.46Å; K202-A207 HydrophobicContact CB-CB 3.69Å; K202-A207 HydrophobicContact CD-CB 4.5Å | ||
| 203 | E | 71.9 | Confident | 85.6 | Confident | 183 Ų | 183 | 47.7 Ų | 47.7 | 86% | 0.855 | 24% | 0.244 | S | C | * | . | trans | -81.6 | -7.7 | -177 | -62.3 | -175.6 | 169.3 | 0 | 0 | 114.1 | W208 | E203-W208 PolarHBondContact O-NE1 3.07Š| ||
| 204 | E | 80.1 | Confident | 85.5 | Confident | 104 Ų | 104 | 47.8 Ų | 47.8 | 49% | 0.486 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -67.1 | 138.1 | -175.6 | -62 | 174.4 | -175.7 | 0 | 0 | 113.7 | M160 K202 T206 A207 W208 | M160-E204 VanDerWaalsContact CE-OE2 3.24Å; M160-E204 WeakPolarHBondContact CE-OE2 3.41Å; K202-E204 VanDerWaalsContact C-N 3.32Å; K202-E204 PolarHBondContact O-N 3.46Å; E204-T206 VanDerWaalsContact C-N 3.25Å; E204-T206 PolarHBondContact O-N 2.96Å; E204-T206 VanDerWaalsContact O-N 3.16Å; E204-A207 HydrophobicContact CB-CB 4.25Å; E204-A207 WeakPolarHBondContact O-CA 3.32Å; E204-A207 VanDerWaalsContact O-CB 3.31Å; E204-A207 WeakPolarHBondContact O-CB 3.38Å; E204-A207 PolarHBondContact O-N 3.21Å; E204-W208 PolarHBondContact O-N 3.23Å |
| 205 | E | 77.9 | Confident | 85.3 | Confident | 167 Ų | 167 | 43.7 Ų | 43.7 | 78% | 0.78 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -51.7 | -40.1 | 178.1 | -169.2 | 176.7 | 178.9 | 0 | 0 | 113.4 | A207 W208 T209 | E205-A207 VanDerWaalsContact C-N 3.34Å; E205-A207 PolarHBondContact O-N 3.4Å; E205-W208 WeakPolarHBondContact O-CB 3.29Å; E205-W208 PolarHBondContact O-N 2.96Å; E205-T209 PolarHBondContact O-N 3.49Å |
| 206 | T | 79.3 | Confident | 85 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 31% | 0.307 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.3 | -30.4 | 176.8 | 43.7 | 0 | 0 | 0 | 0 | 113.3 | M160 E204 W208 T209 V210 | M160-T206 HydrophobicContact CG-CG2 4.25Å; E204-T206 VanDerWaalsContact C-N 3.25Å; E204-T206 PolarHBondContact O-N 2.96Å; E204-T206 VanDerWaalsContact O-N 3.16Å; T206-W208 VanDerWaalsContact C-N 3.32Å; T206-T209 PolarHBondContact O-N 2.86Å; T206-T209 PolarHBondContact O-OG1 3.41Å; T206-V210 WeakPolarHBondContact O-CG2 3.16Å; T206-V210 PolarHBondContact O-N 3.23Å |
| 207 | A | 85.3 | Confident | 85 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68 | -35.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F199 K202 E204 E205 V210 C211 | F199-A207 HydrophobicContact CB-CB 4.35Å; F199-A207 HydrophobicContact CD1-CB 3.8Å; K202-A207 HydrophobicContact CB-CB 3.69Å; K202-A207 HydrophobicContact CD-CB 4.5Å; E204-A207 HydrophobicContact CB-CB 4.25Å; E204-A207 WeakPolarHBondContact O-CA 3.32Å; E204-A207 VanDerWaalsContact O-CB 3.31Å; E204-A207 WeakPolarHBondContact O-CB 3.38Å; E204-A207 PolarHBondContact O-N 3.21Å; E205-A207 VanDerWaalsContact C-N 3.34Å; E205-A207 PolarHBondContact O-N 3.4Å; A207-V210 PolarHBondContact O-N 3.46Å; A207-C211 PolarHBondContact O-N 3.05Å; A207-C211 PolarHBondContact O-SG 3.4Å |
| 208 | W | 80.9 | Confident | 85.1 | Confident | 53 Ų | 53 | 39 Ų | 39 | 20% | 0.201 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 175 | -66.2 | 100.5 | 0 | 0 | 0 | 112.4 | E203 E204 E205 T206 V210 C211 M212 C257 L260 | E203-W208 PolarHBondContact O-NE1 3.07Å; E204-W208 PolarHBondContact O-N 3.23Å; E205-W208 WeakPolarHBondContact O-CB 3.29Å; E205-W208 PolarHBondContact O-N 2.96Å; T206-W208 VanDerWaalsContact C-N 3.32Å; W208-V210 VanDerWaalsContact C-N 3.34Å; W208-C211 PolarHBondContact O-N 2.88Å; W208-M212 WeakPolarHBondContact O-CB 3.46Å; W208-M212 WeakPolarHBondContact O-CG 3.26Å; W208-M212 PolarHBondContact O-N 3.16Å; W208-C257 WeakPolarHBondContact CH2-SG 2.89Å; W208-L260 HydrophobicContact CE3-CD1 3.27Å; W208-L260 HydrophobicContact CZ3-CD1 3.32Å |
| 209 | T | 82.1 | Confident | 84.9 | Confident | 28 Ų | 28 | 38.7 Ų | 38.7 | 17% | 0.172 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.8 | -36.9 | 178.7 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | H164 E205 T206 M212 A213 | H164-T209 PolarHBondContact CD2-OG1 2.97Å; H164-T209 WeakPolarHBondContact NE2-CB 3.46Å; H164-T209 PolarHBondContact NE2-OG1 2.97Å; E205-T209 PolarHBondContact O-N 3.49Å; T206-T209 PolarHBondContact O-N 2.86Å; T206-T209 PolarHBondContact O-OG1 3.41Å; T209-M212 PolarHBondContact O-N 3.48Å; T209-A213 WeakPolarHBondContact O-CB 3.5Å; T209-A213 PolarHBondContact O-N 3.34Å |
| 210 | V | 88.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.5 | -48.8 | 170.4 | 171.3 | 0 | 0 | 0 | 0 | 111 | I163 H164 A167 L195 F199 T206 A207 W208 M212 A213 A214 | I163-V210 HydrophobicContact CG2-CG1 4.46Å; I163-V210 HydrophobicContact CG2-CG2 4.26Å; H164-V210 HydrophobicContact CB-CG2 4.21Å; A167-V210 HydrophobicContact CB-CG1 4.4Å; L195-V210 HydrophobicContact CD2-CG1 3.72Å; L195-V210 HydrophobicContact CG-CG1 3.97Å; F199-V210 HydrophobicContact CB-CG1 4.32Å; F199-V210 HydrophobicContact CD1-CB 4.35Å; F199-V210 HydrophobicContact CD1-CG1 4.25Å; F199-V210 HydrophobicContact CD2-CG1 4.36Å; F199-V210 HydrophobicContact CG-CG1 4.04Å; T206-V210 WeakPolarHBondContact O-CG2 3.16Å; T206-V210 PolarHBondContact O-N 3.23Å; A207-V210 PolarHBondContact O-N 3.46Å; W208-V210 VanDerWaalsContact C-N 3.34Å; V210-M212 VanDerWaalsContact C-N 3.33Å; V210-M212 PolarHBondContact O-N 3.39Å; V210-A213 PolarHBondContact O-N 3.17Å; V210-A214 VanDerWaalsContact O-CB 3.32Å; V210-A214 WeakPolarHBondContact O-CB 3.26Å; V210-A214 PolarHBondContact O-N 3.26Å |
| 211 | C | 89.3 | Confident | 85 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 178 | -70.6 | 0 | 0 | 0 | 0 | 112.3 | F196 A207 W208 A214 L215 L260 | F196-C211 HydrophobicContact CD2-CB 3.98Å; F196-C211 HydrophobicContact CE2-CB 3.97Å; A207-C211 PolarHBondContact O-N 3.05Å; A207-C211 PolarHBondContact O-SG 3.4Å; W208-C211 PolarHBondContact O-N 2.88Å; C211-A214 PolarHBondContact O-N 3.48Å; C211-L215 WeakPolarHBondContact O-CG 2.91Å; C211-L215 PolarHBondContact O-N 3.06Å; C211-L260 HydrophobicContact CB-CD1 4.45Å; C211-L260 HydrophobicContact CB-CD2 4.22Å |
| 212 | M | 85.6 | Confident | 85.3 | Confident | 16 Ų | 16 | 33.5 Ų | 33.5 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -44.9 | 176.7 | -76.2 | -67.6 | -97.2 | 0 | 0 | 111.9 | W208 T209 V210 G216 F259 L260 L317 | W208-M212 WeakPolarHBondContact O-CB 3.46Å; W208-M212 WeakPolarHBondContact O-CG 3.26Å; W208-M212 PolarHBondContact O-N 3.16Å; T209-M212 PolarHBondContact O-N 3.48Å; V210-M212 VanDerWaalsContact C-N 3.33Å; V210-M212 PolarHBondContact O-N 3.39Å; M212-G216 PolarHBondContact O-N 3.28Å; M212-F259 HydrophobicContact CE-CB 4.08Å; M212-L260 HydrophobicContact CG-CD2 3.88Å; M212-L260 HydrophobicContact CG-CG 4.39Å; M212-L260 HydrophobicContact SD-CD2 3.35Å; M212-L260 WeakPolarHBondContact SD-CD2 3.24Å; M212-L260 HydrophobicContact SD-CG 3.73Å; M212-L317 HydrophobicContact CB-CD2 3.57Å; M212-L317 HydrophobicContact CE-CD2 3.3Å; M212-L317 HydrophobicContact CE-CG 4.09Å; M212-L317 HydrophobicContact CG-CD2 4.03Å; M212-L317 WeakPolarHBondContact O-CD2 3.42Å; M212-L317 HydrophobicContact SD-CD2 3.45Å; M212-L317 WeakPolarHBondContact SD-CD2 3.48Å |
| 213 | A | 85.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A167 T209 V210 G216 T217 L321 | A167-A213 HydrophobicContact CB-CB 3.9Å; T209-A213 WeakPolarHBondContact O-CB 3.5Å; T209-A213 PolarHBondContact O-N 3.34Å; V210-A213 PolarHBondContact O-N 3.17Å; A213-G216 PolarHBondContact O-N 3.39Å; A213-T217 WeakPolarHBondContact O-CB 3.48Å; A213-T217 PolarHBondContact O-N 3.13Å; A213-T217 PolarHBondContact O-OG1 3.49Å; A213-L321 HydrophobicContact CB-CD1 4.48Å |
| 214 | A | 91.7 | Very high | 85.7 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -54.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V192 F196 V210 C211 G216 T217 V218 | V192-A214 HydrophobicContact CG1-CB 3.55Å; V192-A214 WeakPolarHBondContact CG1-O 3.23Å; F196-A214 HydrophobicContact CB-CB 4.16Å; F196-A214 HydrophobicContact CD2-CB 4.45Å; V210-A214 VanDerWaalsContact O-CB 3.32Å; V210-A214 WeakPolarHBondContact O-CB 3.26Å; V210-A214 PolarHBondContact O-N 3.26Å; C211-A214 PolarHBondContact O-N 3.48Å; A214-G216 VanDerWaalsContact C-N 3.3Å; A214-G216 PolarHBondContact O-N 2.88Å; A214-T217 WeakPolarHBondContact O-CB 3.49Å; A214-T217 PolarHBondContact O-N 2.62Å; A214-T217 VanDerWaalsContact O-N 3.1Å; A214-V218 WeakPolarHBondContact O-CG2 3.34Å; A214-V218 PolarHBondContact O-N 2.65Å |
| 215 | L | 89.7 | Confident | 85.8 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.3 | -37.7 | 176.3 | -68.4 | -169.7 | 0 | 0 | 0 | 112.1 | F196 C211 T217 V218 R219 F240 L260 A263 M264 L267 | F196-L215 HydrophobicContact CD2-CD2 3.91Å; F196-L215 HydrophobicContact CD2-CG 3.97Å; F196-L215 HydrophobicContact CE2-CD1 3.93Å; F196-L215 HydrophobicContact CE2-CD2 3.74Å; F196-L215 HydrophobicContact CE2-CG 3.69Å; F196-L215 HydrophobicContact CG-CD2 4.42Å; F196-L215 HydrophobicContact CZ-CD1 4.42Å; F196-L215 HydrophobicContact CZ-CD2 4.13Å; F196-L215 HydrophobicContact CZ-CG 4.43Å; C211-L215 WeakPolarHBondContact O-CG 2.91Å; C211-L215 PolarHBondContact O-N 3.06Å; L215-T217 VanDerWaalsContact C-N 3.32Å; L215-T217 PolarHBondContact O-N 2.63Å; L215-V218 PolarHBondContact O-N 3.1Å; L215-R219 WeakPolarHBondContact O-CB 3.39Å; L215-R219 PolarHBondContact O-N 2.84Å; L215-F240 HydrophobicContact CD2-CE1 3.58Å; L215-F240 HydrophobicContact CD2-CZ 3.84Å; L215-L260 HydrophobicContact CD1-CB 4.44Å; L215-L260 HydrophobicContact CD1-CD2 3.46Å; L215-L260 VanDerWaalsContact CD1-CD2 3.46Å; L215-L260 HydrophobicContact CG-CD2 4.27Å; L215-A263 HydrophobicContact CD1-CB 3.89Å; L215-M264 HydrophobicContact CD1-CG 3.74Å; L215-M264 HydrophobicContact CD2-CG 4.2Å; L215-L267 HydrophobicContact CD2-CD1 4.08Å |
| 216 | G | 87.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.1 | -45.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | M212 A213 A214 L220 | M212-G216 PolarHBondContact O-N 3.28Å; A213-G216 PolarHBondContact O-N 3.39Å; A214-G216 VanDerWaalsContact C-N 3.3Å; A214-G216 PolarHBondContact O-N 2.88Å; G216-L220 VanDerWaalsContact O-CG 3.31Å; G216-L220 WeakPolarHBondContact O-CG 3.25Å; G216-L220 PolarHBondContact O-N 2.76Å |
| 217 | T | 91.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.8 | -53.6 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 110.9 | L170 Y171 A174 V192 A213 A214 L215 R219 L220 L221 | L170-T217 HydrophobicContact CD2-CG2 4.08Å; L170-T217 HydrophobicContact CG-CG2 3.92Å; Y171-T217 VanDerWaalsContact CA-OG1 3.24Å; Y171-T217 WeakPolarHBondContact CA-OG1 3.34Å; Y171-T217 PolarHBondContact N-OG1 3.26Å; A174-T217 HydrophobicContact CB-CG2 4.14Å; V192-T217 HydrophobicContact CG2-CG2 4.32Å; A213-T217 WeakPolarHBondContact O-CB 3.48Å; A213-T217 PolarHBondContact O-N 3.13Å; A213-T217 PolarHBondContact O-OG1 3.49Å; A214-T217 WeakPolarHBondContact O-CB 3.49Å; A214-T217 PolarHBondContact O-N 2.62Å; A214-T217 VanDerWaalsContact O-N 3.1Å; L215-T217 VanDerWaalsContact C-N 3.32Å; L215-T217 PolarHBondContact O-N 2.63Å; T217-R219 VanDerWaalsContact C-N 3.25Å; T217-R219 PolarHBondContact O-N 2.97Å; T217-L220 WeakPolarHBondContact O-CA 3.23Å; T217-L220 WeakPolarHBondContact O-CB 3.32Å; T217-L220 PolarHBondContact O-N 3.1Å; T217-L221 HydrophobicContact CG2-CD1 4.01Å; T217-L221 HydrophobicContact CG2-CG 4.24Å; T217-L221 WeakPolarHBondContact O-CG 3.36Å; T217-L221 PolarHBondContact O-N 2.97Å |
| 218 | V | 91.7 | Very high | 86.8 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.2 | -40.7 | 178.6 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | V192 M193 A214 L215 L220 L221 T222 L231 L267 | V192-V218 HydrophobicContact CB-CG2 4.45Å; V192-V218 HydrophobicContact CG1-CG2 3.76Å; M193-V218 HydrophobicContact CG-CG2 4.46Å; M193-V218 HydrophobicContact SD-CG1 4.48Å; M193-V218 HydrophobicContact SD-CG2 3.83Å; A214-V218 WeakPolarHBondContact O-CG2 3.34Å; A214-V218 PolarHBondContact O-N 2.65Å; L215-V218 PolarHBondContact O-N 3.1Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 PolarHBondContact O-N 3.12Å; V218-L221 PolarHBondContact O-N 2.87Å; V218-T222 HydrophobicContact CG1-CG2 3.93Å; V218-T222 WeakPolarHBondContact O-CB 3.45Å; V218-T222 WeakPolarHBondContact O-CG2 3.38Å; V218-T222 PolarHBondContact O-N 3.38Å; V218-T222 PolarHBondContact O-OG1 3.29Å; V218-L231 HydrophobicContact CG1-CD1 3.79Å; V218-L231 HydrophobicContact CG1-CD2 4.01Å; V218-L267 HydrophobicContact CB-CD1 4.43Å; V218-L267 HydrophobicContact CG1-CD1 4.01Å; V218-L267 HydrophobicContact CG1-CD2 4.13Å |
| 219 | R | 86.7 | Confident | 87.2 | Confident | 16 Ų | 16 | 24.3 Ų | 24.3 | 6% | 0.06 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.2 | -37.5 | 175.1 | -173.1 | -177.1 | 71.3 | 119.2 | 0.9 | 113.7 | L215 T217 T222 L267 R270 L310 | L215-R219 WeakPolarHBondContact O-CB 3.39Å; L215-R219 PolarHBondContact O-N 2.84Å; T217-R219 VanDerWaalsContact C-N 3.25Å; T217-R219 PolarHBondContact O-N 2.97Å; R219-T222 WeakPolarHBondContact CA-OG1 3.13Å; R219-T222 PolarHBondContact O-OG1 3.22Å; R219-L267 HydrophobicContact CB-CD2 4.09Å; R219-L267 HydrophobicContact CG-CD2 4.48Å; R219-R270 PolarHBondContact O-NH1 2.97Å; R219-L310 PolarHBondContact NH1-O 3.03Å; R219-L310 PolarHBondContact NH2-O 2.97Å; R219-L310 VanDerWaalsContact NH2-O 3.1Å |
| 220 | L | 87.2 | Confident | 87.7 | Confident | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.7 | -45.2 | 175.2 | -67 | 168.6 | 0 | 0 | 0 | 110.4 | Y171 A174 K175 R180 G216 T217 V218 S223 L310 | Y171-L220 HydrophobicContact CD2-CD1 3.65Å; Y171-L220 HydrophobicContact CE2-CD1 3.54Å; Y171-L220 HydrophobicContact CE2-CG 4.39Å; A174-L220 HydrophobicContact CB-CB 3.91Å; A174-L220 HydrophobicContact CB-CD1 3.8Å; K175-L220 HydrophobicContact CG-CD1 4.12Å; R180-L220 WeakPolarHBondContact CD-O 3.4Å; G216-L220 VanDerWaalsContact O-CG 3.31Å; G216-L220 WeakPolarHBondContact O-CG 3.25Å; G216-L220 PolarHBondContact O-N 2.76Å; T217-L220 WeakPolarHBondContact O-CA 3.23Å; T217-L220 WeakPolarHBondContact O-CB 3.32Å; T217-L220 PolarHBondContact O-N 3.1Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 PolarHBondContact O-N 3.12Å; L220-S223 VanDerWaalsContact O-CB 3.29Å; L220-S223 WeakPolarHBondContact O-CB 3.16Å; L220-S223 PolarHBondContact O-N 3.01Å; L220-S223 PolarHBondContact O-OG 3.31Å; L220-L310 HydrophobicContact CD2-CD2 4.02Å |
| 221 | L | 89.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | -178.5 | -60.4 | -174.1 | 0 | 0 | 0 | 112.6 | A174 R180 L183 V184 I188 V189 T217 V218 S223 T224 | A174-L221 HydrophobicContact CB-CD2 4.01Å; R180-L221 HydrophobicContact CB-CD2 4.04Å; R180-L221 HydrophobicContact CG-CD2 4.22Å; L183-L221 HydrophobicContact CB-CD1 4.45Å; L183-L221 HydrophobicContact CB-CD2 3.86Å; L183-L221 HydrophobicContact CD1-CD2 4.08Å; V184-L221 HydrophobicContact CG2-CB 3.94Å; V184-L221 HydrophobicContact CG2-CD1 4.38Å; V184-L221 HydrophobicContact CG2-CD2 4.26Å; V184-L221 HydrophobicContact CG2-CG 4.4Å; I188-L221 HydrophobicContact CB-CD1 4.46Å; I188-L221 HydrophobicContact CG2-CD1 3.9Å; V189-L221 HydrophobicContact CG2-CB 4.33Å; V189-L221 HydrophobicContact CG2-CD1 3.8Å; T217-L221 HydrophobicContact CG2-CD1 4.01Å; T217-L221 HydrophobicContact CG2-CG 4.24Å; T217-L221 WeakPolarHBondContact O-CG 3.36Å; T217-L221 PolarHBondContact O-N 2.97Å; V218-L221 PolarHBondContact O-N 2.87Å; L221-S223 PolarHBondContact O-N 3.05Å; L221-S223 VanDerWaalsContact O-N 3.11Å; L221-T224 PolarHBondContact O-N 2.92Å; L221-T224 PolarHBondContact O-OG1 3.35Å |
| 222 | T | 87.2 | Confident | 87.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -3.2 | 175.8 | 56.1 | 0 | 0 | 0 | 0 | 114.4 | V218 R219 T224 R228 L231 L267 R270 | V218-T222 HydrophobicContact CG1-CG2 3.93Å; V218-T222 WeakPolarHBondContact O-CB 3.45Å; V218-T222 WeakPolarHBondContact O-CG2 3.38Å; V218-T222 PolarHBondContact O-N 3.38Å; V218-T222 PolarHBondContact O-OG1 3.29Å; R219-T222 WeakPolarHBondContact CA-OG1 3.13Å; R219-T222 PolarHBondContact O-OG1 3.22Å; T222-T224 PolarHBondContact O-N 2.96Å; T222-R228 HydrophobicContact CG2-CG 4.44Å; T222-R228 WeakPolarHBondContact O-CG 3.35Å; T222-R228 PolarHBondContact O-NH1 3.06Å; T222-L231 HydrophobicContact CG2-CB 4.25Å; T222-L231 HydrophobicContact CG2-CD2 3.78Å; T222-L267 HydrophobicContact CG2-CD2 4.36Å; T222-L267 WeakPolarHBondContact OG1-CD2 3.12Å; T222-R270 PolarHBondContact OG1-NH1 3.46Å |
| 223 | S | 81.7 | Confident | 88.1 | Confident | 43 Ų | 43 | 32.3 Ų | 32.3 | 30% | 0.301 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.7 | 164.7 | 69.2 | 0 | 0 | 0 | 0 | 111.8 | R180 L220 L221 R228 | R180-S223 WeakPolarHBondContact CD-OG 3.42Å; R180-S223 PolarHBondContact NH1-OG 3.33Å; L220-S223 VanDerWaalsContact O-CB 3.29Å; L220-S223 WeakPolarHBondContact O-CB 3.16Å; L220-S223 PolarHBondContact O-N 3.01Å; L220-S223 PolarHBondContact O-OG 3.31Å; L221-S223 PolarHBondContact O-N 3.05Å; L221-S223 VanDerWaalsContact O-N 3.11Å; S223-R228 PolarHBondContact O-NH1 2.89Å |
| 224 | T | 82 | Confident | 88.4 | Confident | 25 Ų | 25 | 32.6 Ų | 32.6 | 15% | 0.153 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -89.6 | 152.7 | 173.9 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | R180 L181 L221 T222 G227 R228 | R180-T224 HydrophobicContact CB-CG2 4.01Å; L181-T224 HydrophobicContact CD2-CG2 4Å; L181-T224 HydrophobicContact CG-CG2 4.35Å; L221-T224 PolarHBondContact O-N 2.92Å; L221-T224 PolarHBondContact O-OG1 3.35Å; T222-T224 PolarHBondContact O-N 2.96Å; T224-G227 PolarHBondContact O-N 3.15Å; T224-G227 PolarHBondContact OG1-N 3.15Å; T224-R228 PolarHBondContact O-N 3.18Å; T224-R228 PolarHBondContact O-NH1 3.25Å |
| 225 | M | 81.9 | Confident | 88.3 | Confident | 150 Ų | 150 | 37.5 Ų | 37.5 | 74% | 0.739 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -62.5 | -45.6 | 173.6 | -76 | 178.2 | 68.1 | 0 | 0 | 111.6 | G227 R228 Q229 | M225-G227 VanDerWaalsContact C-N 3.32Å; M225-G227 PolarHBondContact O-N 3.45Å; M225-R228 PolarHBondContact O-N 3.06Å; M225-R228 VanDerWaalsContact O-N 3.1Å; M225-Q229 PolarHBondContact O-N 2.89Å |
| 226 | A | 87.1 | Confident | 88.2 | Confident | 43 Ų | 43 | 37.4 Ų | 37.4 | 36% | 0.355 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.7 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L181 V184 R228 Q229 T230 | L181-A226 HydrophobicContact CD2-CB 4.23Å; V184-A226 HydrophobicContact CG1-CB 3.9Å; A226-R228 VanDerWaalsContact C-N 3.3Å; A226-R228 PolarHBondContact O-N 3.35Å; A226-Q229 PolarHBondContact O-N 3.45Å; A226-T230 PolarHBondContact O-N 3.31Å; A226-T230 PolarHBondContact O-OG1 3.12Å |
| 227 | G | 89 | Confident | 88 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -29 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T224 M225 L231 | T224-G227 PolarHBondContact O-N 3.15Å; T224-G227 PolarHBondContact OG1-N 3.15Å; M225-G227 VanDerWaalsContact C-N 3.32Å; M225-G227 PolarHBondContact O-N 3.45Å; G227-L231 WeakPolarHBondContact O-CB 3.36Å; G227-L231 PolarHBondContact O-N 3.18Å |
| 228 | R | 87.7 | Confident | 87.7 | Confident | 66 Ų | 66 | 42.6 Ų | 42.6 | 25% | 0.249 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.4 | -46.3 | 172 | -69.7 | -171 | -67.6 | -84.6 | 10.1 | 111.3 | T222 S223 T224 M225 A226 L231 V232 R270 | T222-R228 HydrophobicContact CG2-CG 4.44Å; T222-R228 WeakPolarHBondContact O-CG 3.35Å; T222-R228 PolarHBondContact O-NH1 3.06Å; S223-R228 PolarHBondContact O-NH1 2.89Å; T224-R228 PolarHBondContact O-N 3.18Å; T224-R228 PolarHBondContact O-NH1 3.25Å; M225-R228 PolarHBondContact O-N 3.06Å; M225-R228 VanDerWaalsContact O-N 3.1Å; A226-R228 VanDerWaalsContact C-N 3.3Å; A226-R228 PolarHBondContact O-N 3.35Å; R228-L231 PolarHBondContact O-N 3Å; R228-V232 WeakPolarHBondContact O-CG2 3.47Å; R228-V232 PolarHBondContact O-N 3.3Å; R228-V232 VanDerWaalsContact O-N 3.1Å; R228-R270 WeakPolarHBondContact CD-O 3.44Å |
| 229 | Q | 88.6 | Confident | 87.4 | Confident | 106 Ų | 106 | 43.3 Ų | 43.3 | 50% | 0.495 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.1 | -49.4 | 178.9 | -175.9 | 60.4 | 31.4 | 0 | 0 | 111 | M225 A226 L231 V232 E233 | M225-Q229 PolarHBondContact O-N 2.89Å; A226-Q229 PolarHBondContact O-N 3.45Å; Q229-L231 VanDerWaalsContact C-N 3.29Å; Q229-L231 PolarHBondContact O-N 2.64Å; Q229-V232 PolarHBondContact O-N 3.36Å; Q229-V232 VanDerWaalsContact O-N 3.11Å; Q229-E233 VanDerWaalsContact CG-OE1 3.26Å; Q229-E233 WeakPolarHBondContact CG-OE1 3.32Å; Q229-E233 PolarHBondContact NE2-OE1 2.94Å; Q229-E233 WeakPolarHBondContact O-CG 3.44Å; Q229-E233 PolarHBondContact O-N 3.22Å |
| 230 | T | 93 | Very high | 87.3 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -34.9 | 177.5 | -51.2 | 0 | 0 | 0 | 0 | 112.6 | V189 A226 V232 E233 C234 | V189-T230 HydrophobicContact CB-CG2 3.8Å; V189-T230 HydrophobicContact CG1-CG2 4.18Å; V189-T230 HydrophobicContact CG2-CG2 4.22Å; A226-T230 PolarHBondContact O-N 3.31Å; A226-T230 PolarHBondContact O-OG1 3.12Å; T230-V232 VanDerWaalsContact C-N 3.34Å; T230-E233 PolarHBondContact O-N 3.06Å; T230-C234 PolarHBondContact O-N 3.08Å; T230-C234 PolarHBondContact O-SG 2.87Å; T230-C234 VanDerWaalsContact O-SG 3.33Å |
| 231 | L | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.3 | -37.6 | 176.1 | -175.2 | 72.5 | 0 | 0 | 0 | 112 | V189 M193 V218 T222 G227 R228 Q229 C234 G236 F240 | V189-L231 HydrophobicContact CG1-CB 4.08Å; V189-L231 HydrophobicContact CG1-CD1 3.97Å; M193-L231 HydrophobicContact CE-CD1 4.36Å; M193-L231 HydrophobicContact CG-CD1 3.71Å; M193-L231 HydrophobicContact SD-CD1 3.63Å; V218-L231 HydrophobicContact CG1-CD1 3.79Å; V218-L231 HydrophobicContact CG1-CD2 4.01Å; T222-L231 HydrophobicContact CG2-CB 4.25Å; T222-L231 HydrophobicContact CG2-CD2 3.78Å; G227-L231 WeakPolarHBondContact O-CB 3.36Å; G227-L231 PolarHBondContact O-N 3.18Å; R228-L231 PolarHBondContact O-N 3Å; Q229-L231 VanDerWaalsContact C-N 3.29Å; Q229-L231 PolarHBondContact O-N 2.64Å; L231-C234 VanDerWaalsContact CA-SG 3.55Å; L231-C234 PolarHBondContact O-SG 3.31Å; L231-G236 WeakPolarHBondContact O-CA 3.26Å; L231-G236 PolarHBondContact O-N 2.91Å; L231-F240 HydrophobicContact CD2-CE2 4.11Å |
| 232 | V | 89.1 | Confident | 86.5 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 34% | 0.339 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.5 | -44.4 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | R228 Q229 T230 C234 N235 L237 C271 | R228-V232 WeakPolarHBondContact O-CG2 3.47Å; R228-V232 PolarHBondContact O-N 3.3Å; R228-V232 VanDerWaalsContact O-N 3.1Å; Q229-V232 PolarHBondContact O-N 3.36Å; Q229-V232 VanDerWaalsContact O-N 3.11Å; T230-V232 VanDerWaalsContact C-N 3.34Å; V232-C234 VanDerWaalsContact C-N 3.28Å; V232-C234 PolarHBondContact O-N 3.36Å; V232-N235 PolarHBondContact O-N 2.99Å; V232-N235 VanDerWaalsContact O-N 3.14Å; V232-L237 HydrophobicContact CG2-CD1 4.1Å; V232-L237 HydrophobicContact CG2-CG 4.42Å; V232-C271 HydrophobicContact CG2-CB 4.13Å |
| 233 | E | 91.3 | Very high | 86.1 | Confident | 124 Ų | 124 | 51 Ų | 51 | 58% | 0.579 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.7 | -31.6 | 177.8 | -72.3 | 166.4 | 179.8 | 0 | 0 | 113.3 | Q229 T230 N235 | Q229-E233 VanDerWaalsContact CG-OE1 3.26Å; Q229-E233 WeakPolarHBondContact CG-OE1 3.32Å; Q229-E233 PolarHBondContact NE2-OE1 2.94Å; Q229-E233 WeakPolarHBondContact O-CG 3.44Å; Q229-E233 PolarHBondContact O-N 3.22Å; T230-E233 PolarHBondContact O-N 3.06Å; E233-N235 PolarHBondContact O-N 2.98Å |
| 234 | C | 90.6 | Very high | 85.7 | Confident | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.054 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 16.9 | 176.2 | 71.3 | 0 | 0 | 0 | 0 | 114.9 | T230 L231 V232 G236 | T230-C234 PolarHBondContact O-N 3.08Å; T230-C234 PolarHBondContact O-SG 2.87Å; T230-C234 VanDerWaalsContact O-SG 3.33Å; L231-C234 VanDerWaalsContact CA-SG 3.55Å; L231-C234 PolarHBondContact O-SG 3.31Å; V232-C234 VanDerWaalsContact C-N 3.28Å; V232-C234 PolarHBondContact O-N 3.36Å; C234-G236 PolarHBondContact O-N 2.8Å |
| 235 | N | 89.1 | Confident | 85.3 | Confident | 106 Ų | 106 | 55.3 Ų | 55.3 | 57% | 0.567 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 24 | -174 | -60.3 | -40.4 | 0 | 0 | 0 | 113.9 | V232 E233 L237 T238 I239 | V232-N235 PolarHBondContact O-N 2.99Å; V232-N235 VanDerWaalsContact O-N 3.14Å; E233-N235 PolarHBondContact O-N 2.98Å; N235-L237 PolarHBondContact O-N 3.23Å; N235-T238 WeakPolarHBondContact O-CA 3.31Å; N235-T238 WeakPolarHBondContact O-CB 3.29Å; N235-T238 PolarHBondContact O-N 3.22Å; N235-I239 PolarHBondContact O-N 2.58Å |
| 236 | G | 88 | Confident | 84.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -32.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L231 C234 F240 | L231-G236 WeakPolarHBondContact O-CA 3.26Å; L231-G236 PolarHBondContact O-N 2.91Å; C234-G236 PolarHBondContact O-N 2.8Å; G236-F240 VanDerWaalsContact O-CD2 3.26Å; G236-F240 WeakPolarHBondContact O-CD2 3.24Å; G236-F240 VanDerWaalsContact O-CG 3.26Å; G236-F240 WeakPolarHBondContact O-CG 3.22Å; G236-F240 PolarHBondContact O-N 3.17Å |
| 237 | L | 84.2 | Confident | 83.8 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 23% | 0.225 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 173.1 | -66.5 | -175.9 | 0 | 0 | 0 | 112.3 | V232 N235 F240 R241 C268 C271 | V232-L237 HydrophobicContact CG2-CD1 4.1Å; V232-L237 HydrophobicContact CG2-CG 4.42Å; N235-L237 PolarHBondContact O-N 3.23Å; L237-F240 PolarHBondContact O-N 3.46Å; L237-R241 WeakPolarHBondContact O-CB 3.45Å; L237-R241 PolarHBondContact O-N 2.98Å; L237-C268 HydrophobicContact CD2-CB 4.09Å; L237-C271 HydrophobicContact CD2-CB 4.1Å |
| 238 | T | 84.1 | Confident | 82.7 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 41% | 0.411 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.6 | -45.8 | 176.9 | -50.4 | 0 | 0 | 0 | 0 | 110.8 | N235 F240 R241 E242 | N235-T238 WeakPolarHBondContact O-CA 3.31Å; N235-T238 WeakPolarHBondContact O-CB 3.29Å; N235-T238 PolarHBondContact O-N 3.22Å; T238-F240 VanDerWaalsContact C-N 3.32Å; T238-F240 PolarHBondContact O-N 2.95Å; T238-R241 WeakPolarHBondContact O-CB 3.27Å; T238-R241 PolarHBondContact O-N 3.22Å; T238-R241 VanDerWaalsContact O-N 3.08Å; T238-E242 WeakPolarHBondContact O-CG 3.47Å; T238-E242 PolarHBondContact O-N 3.2Å |
| 239 | I | 86.1 | Confident | 81.3 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55 | -50 | 175.1 | -65.5 | 170.1 | 0 | 0 | 0 | 109.9 | M193 F196 Q197 N235 R241 E242 S243 | M193-I239 HydrophobicContact CB-CD1 4.35Å; M193-I239 HydrophobicContact CE-CB 4.11Å; M193-I239 HydrophobicContact CE-CD1 4Å; M193-I239 HydrophobicContact CE-CG2 3.91Å; F196-I239 HydrophobicContact CD1-CG2 4.23Å; F196-I239 HydrophobicContact CE1-CG2 4.38Å; Q197-I239 HydrophobicContact CB-CG2 4.4Å; N235-I239 PolarHBondContact O-N 2.58Å; I239-R241 PolarHBondContact O-N 3.28Å; I239-E242 PolarHBondContact O-N 3.33Å; I239-S243 WeakPolarHBondContact O-CB 2.98Å; I239-S243 PolarHBondContact O-N 3.37Å; I239-S243 PolarHBondContact O-OG 3.43Å; I239-S243 VanDerWaalsContact O-OG 3.04Å |
| 240 | F | 84.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 176.9 | -65.6 | -28.6 | 0 | 0 | 0 | 112.1 | M193 F196 L215 L231 G236 L237 T238 E242 S243 V244 M264 L267 C268 | M193-F240 HydrophobicContact CE-CD1 4.2Å; M193-F240 HydrophobicContact CE-CE1 3.55Å; M193-F240 HydrophobicContact CE-CZ 3.74Å; M193-F240 HydrophobicContact SD-CE1 4.14Å; M193-F240 HydrophobicContact SD-CZ 3.88Å; F196-F240 HydrophobicContact CD1-CE1 4.37Å; F196-F240 HydrophobicContact CE1-CD1 4.2Å; F196-F240 HydrophobicContact CE1-CE1 4.1Å; L215-F240 HydrophobicContact CD2-CE1 3.58Å; L215-F240 HydrophobicContact CD2-CZ 3.84Å; L231-F240 HydrophobicContact CD2-CE2 4.11Å; G236-F240 VanDerWaalsContact O-CD2 3.26Å; G236-F240 WeakPolarHBondContact O-CD2 3.24Å; G236-F240 VanDerWaalsContact O-CG 3.26Å; G236-F240 WeakPolarHBondContact O-CG 3.22Å; G236-F240 PolarHBondContact O-N 3.17Å; L237-F240 PolarHBondContact O-N 3.46Å; T238-F240 VanDerWaalsContact C-N 3.32Å; T238-F240 PolarHBondContact O-N 2.95Å; F240-E242 VanDerWaalsContact C-N 3.32Å; F240-E242 PolarHBondContact O-N 2.69Å; F240-S243 PolarHBondContact O-N 3.2Å; F240-V244 VanDerWaalsContact O-CB 3.27Å; F240-V244 WeakPolarHBondContact O-CB 3.48Å; F240-V244 WeakPolarHBondContact O-CG2 3.37Å; F240-V244 PolarHBondContact O-N 2.85Å; F240-M264 HydrophobicContact CB-CB 4.42Å; F240-M264 HydrophobicContact CD1-CB 4.12Å; F240-M264 HydrophobicContact CD1-CG 3.71Å; F240-M264 HydrophobicContact CD1-SD 3.93Å; F240-M264 HydrophobicContact CE1-CG 4Å; F240-M264 HydrophobicContact CG-CB 4.2Å; F240-M264 HydrophobicContact CG-CG 4.3Å; F240-L267 HydrophobicContact CD2-CB 4.39Å; F240-L267 HydrophobicContact CE2-CB 3.74Å; F240-L267 HydrophobicContact CE2-CD1 4.01Å; F240-L267 HydrophobicContact CZ-CB 4.41Å; F240-L267 HydrophobicContact CZ-CD1 3.82Å; F240-C268 WeakPolarHBondContact CB-SG 3.3Å; F240-C268 VanDerWaalsContact CD2-SG 3.52Å |
| 241 | R | 77.6 | Confident | 78.1 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 24% | 0.238 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 177.7 | -167.4 | 177.3 | -172.9 | 167 | 2.3 | 111.8 | L237 T238 I239 V244 K245 E493 D497 | L237-R241 WeakPolarHBondContact O-CB 3.45Å; L237-R241 PolarHBondContact O-N 2.98Å; T238-R241 WeakPolarHBondContact O-CB 3.27Å; T238-R241 PolarHBondContact O-N 3.22Å; T238-R241 VanDerWaalsContact O-N 3.08Å; I239-R241 PolarHBondContact O-N 3.28Å; R241-V244 PolarHBondContact O-N 3.38Å; R241-K245 WeakPolarHBondContact O-CG 3.26Å; R241-K245 PolarHBondContact O-N 3.17Å; R241-E493 IonicContact CZ-OE1 3.92Å; R241-E493 VanDerWaalsContact CZ-OE1 3.22Å; R241-E493 IonicContact CZ-OE2 2.98Å; R241-E493 IonicContact NE-OE1 3.78Å; R241-E493 PolarHBondContact NE-OE1 3.36Å; R241-E493 IonicContact NE-OE2 3.45Å; R241-E493 PolarHBondContact NE-OE2 3.29Å; R241-E493 IonicContact NH2-OE1 3.76Å; R241-E493 PolarHBondContact NH2-OE1 2.99Å; R241-E493 IonicContact NH2-OE2 3.22Å; R241-E493 PolarHBondContact NH2-OE2 3.11Å; R241-D497 IonicContact NH2-OD1 3.22Å |
| 242 | E | 81 | Confident | 76.3 | Confident | 111 Ų | 111 | 60.5 Ų | 60.5 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68 | -47.7 | 177 | -70.7 | 174.5 | 178 | 0 | 0 | 112.2 | T238 I239 F240 V244 K245 S246 | T238-E242 WeakPolarHBondContact O-CG 3.47Å; T238-E242 PolarHBondContact O-N 3.2Å; I239-E242 PolarHBondContact O-N 3.33Å; F240-E242 VanDerWaalsContact C-N 3.32Å; F240-E242 PolarHBondContact O-N 2.69Å; E242-V244 PolarHBondContact O-N 2.67Å; E242-K245 WeakPolarHBondContact O-CB 3.17Å; E242-K245 PolarHBondContact O-N 2.94Å; E242-S246 PolarHBondContact O-N 2.87Å |
| 243 | S | 78.6 | Confident | 74.5 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.7 | -33.9 | 175 | -64 | 0 | 0 | 0 | 0 | 112.7 | F200 I239 F240 S246 | F200-S243 VanDerWaalsContact CE1-CB 3.45Å; I239-S243 WeakPolarHBondContact O-CB 2.98Å; I239-S243 PolarHBondContact O-N 3.37Å; I239-S243 PolarHBondContact O-OG 3.43Å; I239-S243 VanDerWaalsContact O-OG 3.04Å; F240-S243 PolarHBondContact O-N 3.2Å; S243-S246 PolarHBondContact O-OG 3.22Å |
| 244 | V | 73.2 | Confident | 73.2 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 14% | 0.139 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72.3 | -37.4 | 175.2 | 161.6 | 0 | 0 | 0 | 0 | 111.5 | F240 R241 E242 S246 F247 Y261 M264 L489 | F240-V244 VanDerWaalsContact O-CB 3.27Å; F240-V244 WeakPolarHBondContact O-CB 3.48Å; F240-V244 WeakPolarHBondContact O-CG2 3.37Å; F240-V244 PolarHBondContact O-N 2.85Å; R241-V244 PolarHBondContact O-N 3.38Å; E242-V244 PolarHBondContact O-N 2.67Å; V244-S246 VanDerWaalsContact C-N 3.33Å; V244-F247 WeakPolarHBondContact O-CB 3.16Å; V244-F247 PolarHBondContact O-N 2.95Å; V244-Y261 HydrophobicContact CG2-CD1 4.35Å; V244-M264 HydrophobicContact CG2-CE 4.33Å; V244-L489 HydrophobicContact CB-CD1 3.7Å; V244-L489 HydrophobicContact CG1-CD1 3.19Å; V244-L489 HydrophobicContact CG1-CD2 4.42Å; V244-L489 HydrophobicContact CG1-CG 3.68Å; V244-L489 HydrophobicContact CG2-CD1 3.22Å |
| 245 | K | 73.7 | Confident | 71.8 | Confident | 136 Ų | 136 | 68.4 Ų | 68.4 | 59% | 0.591 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68.8 | -30.1 | 177.6 | -77.7 | 175.9 | 179.9 | -179 | 0 | 112.8 | R241 E242 F247 E493 | R241-K245 WeakPolarHBondContact O-CG 3.26Å; R241-K245 PolarHBondContact O-N 3.17Å; E242-K245 WeakPolarHBondContact O-CB 3.17Å; E242-K245 PolarHBondContact O-N 2.94Å; K245-F247 PolarHBondContact O-N 3.32Å; K245-E493 WeakPolarHBondContact CE-OE1 3.41Å; K245-E493 IonicContact NZ-OE1 3.1Å; K245-E493 PolarHBondContact NZ-OE1 3.35Å |
| 246 | S | 70.9 | Confident | 70.6 | Confident | 71 Ų | 71 | 67 Ų | 67 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -3.6 | 174.2 | 60 | 0 | 0 | 0 | 0 | 114.1 | E242 S243 V244 N248 | E242-S246 PolarHBondContact O-N 2.87Å; S243-S246 PolarHBondContact O-OG 3.22Å; V244-S246 VanDerWaalsContact C-N 3.33Å; S246-N248 PolarHBondContact O-N 3.18Å; S246-N248 VanDerWaalsContact O-N 3.08Å |
| 247 | F | 67.5 | Low | 69.6 | Low | 37 Ų | 37 | 67.1 Ų | 67.1 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | trans | -60.6 | 112.4 | 178.6 | 177.5 | -116.7 | 0 | 0 | 0 | 111.9 | V244 K245 E251 Q252 Y261 N486 L489 | V244-F247 WeakPolarHBondContact O-CB 3.16Å; V244-F247 PolarHBondContact O-N 2.95Å; K245-F247 PolarHBondContact O-N 3.32Å; F247-E251 HydrophobicContact CD2-CB 4.24Å; F247-E251 WeakPolarHBondContact CD2-OE2 3.19Å; F247-E251 HydrophobicContact CE2-CB 3.87Å; F247-Q252 HydrophobicContact CE1-CG 4.21Å; F247-Q252 HydrophobicContact CZ-CG 3.64Å; F247-Y261 WeakPolarHBondContact CA-OH 3.27Å; F247-Y261 HydrophobicContact CB-CE1 3.76Å; F247-Y261 HydrophobicContact CB-CE2 4.44Å; F247-Y261 AromaticContact CD2-CD2 3.76Å; F247-Y261 HydrophobicContact CD2-CD2 3.76Å; F247-Y261 AromaticContact CD2-CE1 4Å; F247-Y261 HydrophobicContact CD2-CE1 4Å; F247-Y261 AromaticContact CD2-CE2 3.13Å; F247-Y261 HydrophobicContact CD2-CE2 3.13Å; F247-Y261 HydrophobicContact CD2-CG 4.45Å; F247-Y261 AromaticContact CD2-CZ 3.26Å; F247-Y261 WeakPolarHBondContact CD2-OH 3.41Å; F247-Y261 AromaticContact CE2-CD2 3.89Å; F247-Y261 HydrophobicContact CE2-CD2 3.89Å; F247-Y261 AromaticContact CE2-CE2 3.56Å; F247-Y261 HydrophobicContact CE2-CE2 3.56Å; F247-Y261 HydrophobicContact CG-CE1 4.18Å; F247-Y261 HydrophobicContact CG-CE2 4.09Å; F247-Y261 AromaticContact CG-CZ 3.86Å; F247-N486 WeakPolarHBondContact CZ-ND2 3.33Å; F247-L489 HydrophobicContact CB-CD2 4.3Å; F247-L489 HydrophobicContact CD1-CD2 3.86Å; F247-L489 HydrophobicContact CE1-CD2 4.33Å; F247-L489 HydrophobicContact CG-CD2 4.01Å | ||
| 248 | N | 65.1 | Low | 68.8 | Low | 98 Ų | 98 | 65.6 Ų | 65.6 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | trans | -87.3 | 138.9 | 172.3 | -167.7 | -9.8 | 0 | 0 | 0 | 110.5 | S246 A250 E251 | S246-N248 PolarHBondContact O-N 3.18Å; S246-N248 VanDerWaalsContact O-N 3.08Å; N248-A250 PolarHBondContact O-N 3.4Å; N248-A250 VanDerWaalsContact O-N 3.1Å; N248-A250 PolarHBondContact OD1-N 2.79Å; N248-E251 HydrophobicContact CB-CG 4.43Å; N248-E251 WeakPolarHBondContact O-CB 3.48Å; N248-E251 PolarHBondContact O-N 3.44Å | ||
| 249 | A | 59.2 | Low | 68.2 | Low | 63 Ų | 63 | 64.2 Ų | 64.2 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -58.5 | -25.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E251 Q252 | A249-E251 PolarHBondContact O-N 3.08Å; A249-Q252 VanDerWaalsContact O-CB 3.28Å; A249-Q252 WeakPolarHBondContact O-CB 3.45Å; A249-Q252 VanDerWaalsContact O-CG 3.29Å; A249-Q252 WeakPolarHBondContact O-CG 3.2Å; A249-Q252 PolarHBondContact O-N 3.17Å |
| 250 | A | 55.3 | Low | 67.7 | Low | 74 Ų | 74 | 63.5 Ų | 63.5 | 61% | 0.612 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -60.8 | -26.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N248 Q252 | N248-A250 PolarHBondContact O-N 3.4Å; N248-A250 VanDerWaalsContact O-N 3.1Å; N248-A250 PolarHBondContact OD1-N 2.79Å; A250-Q252 PolarHBondContact O-N 3.44Å |
| 251 | E | 58.3 | Low | 67.3 | Low | 63 Ų | 63 | 63.7 Ų | 63.7 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -76.7 | -7.2 | 177.9 | -61 | -176.5 | 167.1 | 0 | 0 | 113.4 | F247 N248 A249 S253 N254 C257 Y261 | F247-E251 HydrophobicContact CD2-CB 4.24Å; F247-E251 WeakPolarHBondContact CD2-OE2 3.19Å; F247-E251 HydrophobicContact CE2-CB 3.87Å; N248-E251 HydrophobicContact CB-CG 4.43Å; N248-E251 WeakPolarHBondContact O-CB 3.48Å; N248-E251 PolarHBondContact O-N 3.44Å; A249-E251 PolarHBondContact O-N 3.08Å; E251-S253 PolarHBondContact O-N 3.1Å; E251-S253 VanDerWaalsContact O-N 3.17Å; E251-N254 PolarHBondContact O-N 3.42Å; E251-N254 VanDerWaalsContact O-N 3.11Å; E251-C257 HydrophobicContact CB-CB 4.45Å; E251-Y261 PolarHBondContact OE2-OH 3Å |
| 252 | Q | 54 | Low | 67.1 | Low | 102 Ų | 102 | 63.8 Ų | 63.8 | 48% | 0.477 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -59.4 | -27.9 | -177 | -80.1 | -179.5 | 16.3 | 0 | 0 | 114.1 | F247 A249 A250 N254 | F247-Q252 HydrophobicContact CE1-CG 4.21Å; F247-Q252 HydrophobicContact CZ-CG 3.64Å; A249-Q252 VanDerWaalsContact O-CB 3.28Å; A249-Q252 WeakPolarHBondContact O-CB 3.45Å; A249-Q252 VanDerWaalsContact O-CG 3.29Å; A249-Q252 WeakPolarHBondContact O-CG 3.2Å; A249-Q252 PolarHBondContact O-N 3.17Å; A250-Q252 PolarHBondContact O-N 3.44Å; Q252-N254 VanDerWaalsContact C-N 3.31Å |
| 253 | S | 52.5 | Low | 67 | Low | 115 Ų | 115 | 59.2 Ų | 59.2 | 80% | 0.804 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -74.8 | -20.7 | -179.4 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | E251 R255 | E251-S253 PolarHBondContact O-N 3.1Å; E251-S253 VanDerWaalsContact O-N 3.17Å; S253-R255 PolarHBondContact O-N 3.39Å |
| 254 | N | 63.2 | Low | 67.2 | Low | 61 Ų | 61 | 58.8 Ų | 58.8 | 33% | 0.326 | 32% | 0.321 | S | S | . | . | trans | -84.8 | 108.4 | -179.5 | -170.3 | -14.8 | 0 | 0 | 0 | 110.9 | E251 Q252 N256 C257 S258 | E251-N254 PolarHBondContact O-N 3.42Å; E251-N254 VanDerWaalsContact O-N 3.11Å; Q252-N254 VanDerWaalsContact C-N 3.31Å; N254-N256 PolarHBondContact O-N 2.89Å; N254-N256 WeakPolarHBondContact OD1-CB 3.49Å; N254-N256 PolarHBondContact OD1-N 3.38Å; N254-C257 HydrophobicContact CB-CB 4.1Å; N254-C257 PolarHBondContact ND2-SG 3.49Å; N254-C257 PolarHBondContact O-N 2.9Å; N254-S258 PolarHBondContact O-N 3.5Å | ||
| 255 | R | 62.1 | Low | 67.7 | Low | 178 Ų | 178 | 57.7 Ų | 57.7 | 67% | 0.672 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -55.9 | -32.5 | 178 | -165.3 | -178.2 | 178.9 | -177.2 | -2.3 | 112.3 | S253 F259 | S253-R255 PolarHBondContact O-N 3.39Å; R255-F259 HydrophobicContact CG-CE2 3.75Å; R255-F259 HydrophobicContact CG-CZ 4.21Å; R255-F259 WeakPolarHBondContact O-CD2 3.41Å; R255-F259 WeakPolarHBondContact O-CE2 3.35Å; R255-F259 PolarHBondContact O-N 2.89Å |
| 256 | N | 63.1 | Low | 68 | Low | 75 Ų | 75 | 53.3 Ų | 53.3 | 40% | 0.401 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72 | -42.4 | 179.6 | -65.4 | -21.2 | 0 | 0 | 0 | 112.1 | N254 S258 F259 L260 | N254-N256 PolarHBondContact O-N 2.89Å; N254-N256 WeakPolarHBondContact OD1-CB 3.49Å; N254-N256 PolarHBondContact OD1-N 3.38Å; N256-S258 VanDerWaalsContact C-N 3.29Å; N256-S258 PolarHBondContact O-N 2.92Å; N256-F259 PolarHBondContact O-N 3.21Å; N256-F259 VanDerWaalsContact O-N 3.1Å; N256-L260 PolarHBondContact O-N 3.21Å |
| 257 | C | 66.9 | Low | 68.7 | Low | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.3 | -46.3 | 174.4 | -65.7 | 0 | 0 | 0 | 0 | 110.8 | W208 E251 N254 F259 L260 Y261 | W208-C257 WeakPolarHBondContact CH2-SG 2.89Å; E251-C257 HydrophobicContact CB-CB 4.45Å; N254-C257 HydrophobicContact CB-CB 4.1Å; N254-C257 PolarHBondContact ND2-SG 3.49Å; N254-C257 PolarHBondContact O-N 2.9Å; C257-F259 PolarHBondContact O-N 2.95Å; C257-L260 PolarHBondContact O-N 3.19Å; C257-L260 VanDerWaalsContact O-N 3.16Å; C257-Y261 HydrophobicContact CB-CD2 4.43Å; C257-Y261 HydrophobicContact CB-CE2 4.15Å; C257-Y261 WeakPolarHBondContact O-CD2 3.46Å; C257-Y261 PolarHBondContact O-N 2.8Å; C257-Y261 VanDerWaalsContact O-N 3.14Å |
| 258 | S | 67.8 | Low | 69.5 | Low | 12 Ų | 12 | 48.4 Ų | 48.4 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.5 | -37.6 | 177 | 163.5 | 0 | 0 | 0 | 0 | 113.7 | N254 N256 H262 P485 | N254-S258 PolarHBondContact O-N 3.5Å; N256-S258 VanDerWaalsContact C-N 3.29Å; N256-S258 PolarHBondContact O-N 2.92Å; S258-H262 WeakPolarHBondContact O-CB 3.26Å; S258-H262 PolarHBondContact O-N 3.43Å; S258-H262 VanDerWaalsContact O-N 3.08Å; S258-P485 WeakPolarHBondContact OG-CB 3.09Å |
| 259 | F | 70.7 | Confident | 70.3 | Confident | 38 Ų | 38 | 44 Ų | 44 | 17% | 0.167 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69 | -40.9 | -180 | -71.9 | -57.5 | 0 | 0 | 0 | 112.3 | M212 R255 N256 C257 H262 A263 F316 | M212-F259 HydrophobicContact CE-CB 4.08Å; R255-F259 HydrophobicContact CG-CE2 3.75Å; R255-F259 HydrophobicContact CG-CZ 4.21Å; R255-F259 WeakPolarHBondContact O-CD2 3.41Å; R255-F259 WeakPolarHBondContact O-CE2 3.35Å; R255-F259 PolarHBondContact O-N 2.89Å; N256-F259 PolarHBondContact O-N 3.21Å; N256-F259 VanDerWaalsContact O-N 3.1Å; C257-F259 PolarHBondContact O-N 2.95Å; F259-H262 PolarHBondContact O-N 3.27Å; F259-A263 WeakPolarHBondContact O-CB 3.44Å; F259-A263 PolarHBondContact O-N 3.34Å; F259-F316 HydrophobicContact CD1-CB 4.17Å; F259-F316 HydrophobicContact CD1-CD1 4.27Å; F259-F316 HydrophobicContact CD1-CG 4.2Å; F259-F316 HydrophobicContact CE1-CB 3.96Å; F259-F316 AromaticContact CE1-CD1 3.25Å; F259-F316 HydrophobicContact CE1-CD1 3.25Å; F259-F316 HydrophobicContact CE1-CD2 4.25Å; F259-F316 AromaticContact CE1-CE1 3.71Å; F259-F316 HydrophobicContact CE1-CE1 3.71Å; F259-F316 AromaticContact CE1-CG 3.56Å; F259-F316 HydrophobicContact CE1-CG 3.56Å; F259-F316 HydrophobicContact CE1-CZ 4.37Å; F259-F316 HydrophobicContact CE2-CD1 4.34Å; F259-F316 HydrophobicContact CZ-CB 4.41Å; F259-F316 AromaticContact CZ-CD1 3.31Å; F259-F316 HydrophobicContact CZ-CD1 3.31Å; F259-F316 AromaticContact CZ-CE1 3.74Å; F259-F316 HydrophobicContact CZ-CE1 3.74Å; F259-F316 HydrophobicContact CZ-CG 4.05Å |
| 260 | L | 75.8 | Confident | 71.4 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -48.2 | 176.3 | -73.4 | 171.1 | 0 | 0 | 0 | 111 | W208 C211 M212 L215 N256 C257 H262 A263 M264 | W208-L260 HydrophobicContact CE3-CD1 3.27Å; W208-L260 HydrophobicContact CZ3-CD1 3.32Å; C211-L260 HydrophobicContact CB-CD1 4.45Å; C211-L260 HydrophobicContact CB-CD2 4.22Å; M212-L260 HydrophobicContact CG-CD2 3.88Å; M212-L260 HydrophobicContact CG-CG 4.39Å; M212-L260 HydrophobicContact SD-CD2 3.35Å; M212-L260 WeakPolarHBondContact SD-CD2 3.24Å; M212-L260 HydrophobicContact SD-CG 3.73Å; L215-L260 HydrophobicContact CD1-CB 4.44Å; L215-L260 HydrophobicContact CD1-CD2 3.46Å; L215-L260 VanDerWaalsContact CD1-CD2 3.46Å; L215-L260 HydrophobicContact CG-CD2 4.27Å; N256-L260 PolarHBondContact O-N 3.21Å; C257-L260 PolarHBondContact O-N 3.19Å; C257-L260 VanDerWaalsContact O-N 3.16Å; L260-H262 VanDerWaalsContact C-N 3.31Å; L260-H262 PolarHBondContact O-N 3.4Å; L260-A263 PolarHBondContact O-N 3.12Å; L260-A263 VanDerWaalsContact O-N 3.1Å; L260-M264 WeakPolarHBondContact O-CG 3.45Å; L260-M264 PolarHBondContact O-N 3.12Å |
| 261 | Y | 76.4 | Confident | 72.8 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -41.2 | 177.1 | -72.2 | -63 | 0 | 0 | 0 | 112.7 | F200 V244 F247 E251 C257 M264 S265 L489 | F200-Y261 HydrophobicContact CZ-CE1 4.15Å; V244-Y261 HydrophobicContact CG2-CD1 4.35Å; F247-Y261 WeakPolarHBondContact CA-OH 3.27Å; F247-Y261 HydrophobicContact CB-CE1 3.76Å; F247-Y261 HydrophobicContact CB-CE2 4.44Å; F247-Y261 AromaticContact CD2-CD2 3.76Å; F247-Y261 HydrophobicContact CD2-CD2 3.76Å; F247-Y261 AromaticContact CD2-CE1 4Å; F247-Y261 HydrophobicContact CD2-CE1 4Å; F247-Y261 AromaticContact CD2-CE2 3.13Å; F247-Y261 HydrophobicContact CD2-CE2 3.13Å; F247-Y261 HydrophobicContact CD2-CG 4.45Å; F247-Y261 AromaticContact CD2-CZ 3.26Å; F247-Y261 WeakPolarHBondContact CD2-OH 3.41Å; F247-Y261 AromaticContact CE2-CD2 3.89Å; F247-Y261 HydrophobicContact CE2-CD2 3.89Å; F247-Y261 AromaticContact CE2-CE2 3.56Å; F247-Y261 HydrophobicContact CE2-CE2 3.56Å; F247-Y261 HydrophobicContact CG-CE1 4.18Å; F247-Y261 HydrophobicContact CG-CE2 4.09Å; F247-Y261 AromaticContact CG-CZ 3.86Å; E251-Y261 PolarHBondContact OE2-OH 3Å; C257-Y261 HydrophobicContact CB-CD2 4.43Å; C257-Y261 HydrophobicContact CB-CE2 4.15Å; C257-Y261 WeakPolarHBondContact O-CD2 3.46Å; C257-Y261 PolarHBondContact O-N 2.8Å; C257-Y261 VanDerWaalsContact O-N 3.14Å; Y261-M264 HydrophobicContact CD1-CE 3.36Å; Y261-M264 HydrophobicContact CE1-CE 3.73Å; Y261-M264 HydrophobicContact CG-CE 4.07Å; Y261-S265 WeakPolarHBondContact O-CB 3.31Å; Y261-S265 PolarHBondContact O-N 3.42Å; Y261-S265 PolarHBondContact O-OG 2.82Å; Y261-L489 HydrophobicContact CD1-CD1 3.69Å; Y261-L489 HydrophobicContact CD1-CD2 3.81Å; Y261-L489 HydrophobicContact CD1-CG 4.42Å; Y261-L489 HydrophobicContact CE1-CD2 4.49Å; Y261-L489 HydrophobicContact CG-CD1 4.19Å; Y261-L489 HydrophobicContact CG-CD2 3.94Å |
| 262 | H | 75.1 | Confident | 74 | Confident | 64 Ų | 64 | 37.3 Ų | 37.3 | 30% | 0.296 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66 | -41.4 | 174.7 | -176.2 | -76 | 0 | 0 | 0 | 112.2 | S258 F259 L260 S266 | S258-H262 WeakPolarHBondContact O-CB 3.26Å; S258-H262 PolarHBondContact O-N 3.43Å; S258-H262 VanDerWaalsContact O-N 3.08Å; F259-H262 PolarHBondContact O-N 3.27Å; L260-H262 VanDerWaalsContact C-N 3.31Å; L260-H262 PolarHBondContact O-N 3.4Å; H262-S266 PolarHBondContact CE1-OG 3Å; H262-S266 VanDerWaalsContact CE1-OG 3.31Å; H262-S266 PolarHBondContact ND1-OG 2.98Å; H262-S266 VanDerWaalsContact O-CB 3.31Å; H262-S266 WeakPolarHBondContact O-CB 3.3Å; H262-S266 PolarHBondContact O-N 2.78Å; H262-S266 PolarHBondContact O-OG 3.4Å |
| 263 | A | 78.3 | Confident | 75.3 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 13% | 0.132 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L215 F259 L260 S266 L267 | L215-A263 HydrophobicContact CD1-CB 3.89Å; F259-A263 WeakPolarHBondContact O-CB 3.44Å; F259-A263 PolarHBondContact O-N 3.34Å; L260-A263 PolarHBondContact O-N 3.12Å; L260-A263 VanDerWaalsContact O-N 3.1Å; A263-S266 PolarHBondContact O-N 3Å; A263-L267 WeakPolarHBondContact O-CB 3.47Å; A263-L267 VanDerWaalsContact O-CG 3.31Å; A263-L267 WeakPolarHBondContact O-CG 3.4Å; A263-L267 PolarHBondContact O-N 3.29Å |
| 264 | M | 83.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.5 | -51 | 174.2 | -68.3 | -174.1 | -69.7 | 0 | 0 | 111 | F196 F200 L215 F240 V244 L260 Y261 S266 L267 C268 | F196-M264 HydrophobicContact CE1-SD 4.09Å; F196-M264 HydrophobicContact CZ-CG 4.31Å; F196-M264 HydrophobicContact CZ-SD 3.57Å; F196-M264 VanDerWaalsContact CZ-SD 3.57Å; F200-M264 HydrophobicContact CE2-CE 3.94Å; F200-M264 HydrophobicContact CE2-SD 4.31Å; F200-M264 HydrophobicContact CZ-CE 3.98Å; L215-M264 HydrophobicContact CD1-CG 3.74Å; L215-M264 HydrophobicContact CD2-CG 4.2Å; F240-M264 HydrophobicContact CB-CB 4.42Å; F240-M264 HydrophobicContact CD1-CB 4.12Å; F240-M264 HydrophobicContact CD1-CG 3.71Å; F240-M264 HydrophobicContact CD1-SD 3.93Å; F240-M264 HydrophobicContact CE1-CG 4Å; F240-M264 HydrophobicContact CG-CB 4.2Å; F240-M264 HydrophobicContact CG-CG 4.3Å; V244-M264 HydrophobicContact CG2-CE 4.33Å; L260-M264 WeakPolarHBondContact O-CG 3.45Å; L260-M264 PolarHBondContact O-N 3.12Å; Y261-M264 HydrophobicContact CD1-CE 3.36Å; Y261-M264 HydrophobicContact CE1-CE 3.73Å; Y261-M264 HydrophobicContact CG-CE 4.07Å; M264-S266 VanDerWaalsContact C-N 3.29Å; M264-S266 PolarHBondContact O-N 3.34Å; M264-L267 WeakPolarHBondContact O-CB 3.38Å; M264-L267 PolarHBondContact O-N 3.08Å; M264-C268 PolarHBondContact O-N 3.08Å; M264-C268 PolarHBondContact O-SG 3.24Å |
| 265 | S | 82.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.8 | -40.2 | -179.9 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | Y261 C268 L269 L489 | Y261-S265 WeakPolarHBondContact O-CB 3.31Å; Y261-S265 PolarHBondContact O-N 3.42Å; Y261-S265 PolarHBondContact O-OG 2.82Å; S265-C268 PolarHBondContact O-N 2.89Å; S265-L269 WeakPolarHBondContact O-CG 3.06Å; S265-L269 PolarHBondContact O-N 3.36Å; S265-L269 VanDerWaalsContact O-N 3.13Å; S265-L489 WeakPolarHBondContact OG-CA 3.47Å |
| 266 | S | 80.7 | Confident | 78.8 | Confident | 45 Ų | 45 | 35.9 Ų | 35.9 | 32% | 0.315 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.1 | -36.3 | 176.5 | -61 | 0 | 0 | 0 | 0 | 112.6 | H262 A263 M264 R270 | H262-S266 PolarHBondContact CE1-OG 3Å; H262-S266 VanDerWaalsContact CE1-OG 3.31Å; H262-S266 PolarHBondContact ND1-OG 2.98Å; H262-S266 VanDerWaalsContact O-CB 3.31Å; H262-S266 WeakPolarHBondContact O-CB 3.3Å; H262-S266 PolarHBondContact O-N 2.78Å; H262-S266 PolarHBondContact O-OG 3.4Å; A263-S266 PolarHBondContact O-N 3Å; M264-S266 VanDerWaalsContact C-N 3.29Å; M264-S266 PolarHBondContact O-N 3.34Å; S266-R270 WeakPolarHBondContact O-CB 3.41Å; S266-R270 PolarHBondContact O-N 2.6Å; S266-R270 VanDerWaalsContact O-N 3.15Å |
| 267 | L | 84.9 | Confident | 80 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.4 | -43 | 175.6 | -78.1 | 170.3 | 0 | 0 | 0 | 111.5 | L215 V218 R219 T222 F240 A263 M264 R270 C271 | L215-L267 HydrophobicContact CD2-CD1 4.08Å; V218-L267 HydrophobicContact CB-CD1 4.43Å; V218-L267 HydrophobicContact CG1-CD1 4.01Å; V218-L267 HydrophobicContact CG1-CD2 4.13Å; R219-L267 HydrophobicContact CB-CD2 4.09Å; R219-L267 HydrophobicContact CG-CD2 4.48Å; T222-L267 HydrophobicContact CG2-CD2 4.36Å; T222-L267 WeakPolarHBondContact OG1-CD2 3.12Å; F240-L267 HydrophobicContact CD2-CB 4.39Å; F240-L267 HydrophobicContact CE2-CB 3.74Å; F240-L267 HydrophobicContact CE2-CD1 4.01Å; F240-L267 HydrophobicContact CZ-CB 4.41Å; F240-L267 HydrophobicContact CZ-CD1 3.82Å; A263-L267 WeakPolarHBondContact O-CB 3.47Å; A263-L267 VanDerWaalsContact O-CG 3.31Å; A263-L267 WeakPolarHBondContact O-CG 3.4Å; A263-L267 PolarHBondContact O-N 3.29Å; M264-L267 WeakPolarHBondContact O-CB 3.38Å; M264-L267 PolarHBondContact O-N 3.08Å; L267-R270 PolarHBondContact O-N 3.05Å; L267-C271 PolarHBondContact O-N 3.1Å; L267-C271 PolarHBondContact O-SG 3.24Å |
| 268 | C | 84.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.9 | -55.2 | 174.7 | -65.9 | 0 | 0 | 0 | 0 | 110.5 | L237 F240 M264 S265 R270 C271 L272 L492 | L237-C268 HydrophobicContact CD2-CB 4.09Å; F240-C268 WeakPolarHBondContact CB-SG 3.3Å; F240-C268 VanDerWaalsContact CD2-SG 3.52Å; M264-C268 PolarHBondContact O-N 3.08Å; M264-C268 PolarHBondContact O-SG 3.24Å; S265-C268 PolarHBondContact O-N 2.89Å; C268-R270 PolarHBondContact O-N 3.42Å; C268-C271 PolarHBondContact O-N 2.93Å; C268-L272 WeakPolarHBondContact O-CG 3.41Å; C268-L272 PolarHBondContact O-N 3.2Å; C268-L272 VanDerWaalsContact O-N 3.1Å; C268-L492 HydrophobicContact CB-CD1 3.63Å; C268-L492 HydrophobicContact CB-CD2 3.91Å; C268-L492 HydrophobicContact CB-CG 4.37Å |
| 269 | L | 83 | Confident | 81.4 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -33.6 | -179.3 | -70.3 | 166.7 | 0 | 0 | 0 | 113.7 | S265 C271 L272 L488 L492 L495 Y605 | S265-L269 WeakPolarHBondContact O-CG 3.06Å; S265-L269 PolarHBondContact O-N 3.36Å; S265-L269 VanDerWaalsContact O-N 3.13Å; L269-C271 VanDerWaalsContact C-N 3.29Å; L269-C271 PolarHBondContact O-N 3.32Å; L269-L272 HydrophobicContact CD2-CD1 3.92Å; L269-L488 HydrophobicContact CD1-CD1 3.62Å; L269-L488 HydrophobicContact CD1-CD2 4.16Å; L269-L488 HydrophobicContact CD1-CG 4.13Å; L269-L492 HydrophobicContact CD2-CD1 4.23Å; L269-L492 HydrophobicContact CG-CD1 4.09Å; L269-L495 HydrophobicContact CD2-CB 4.48Å; L269-L495 HydrophobicContact CD2-CD1 3.84Å; L269-Y605 HydrophobicContact CD1-CD2 3.55Å; L269-Y605 HydrophobicContact CD1-CE2 4.17Å; L269-Y605 HydrophobicContact CD1-CG 4.17Å; L269-Y605 HydrophobicContact CD2-CD2 4.48Å; L269-Y605 HydrophobicContact CD2-CE2 4.39Å |
| 270 | R | 82 | Confident | 81.7 | Confident | 31 Ų | 31 | 47 Ų | 47 | 12% | 0.117 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.5 | -29.1 | 176.4 | 175.1 | -177.8 | -70.6 | 178.5 | -7.3 | 112.7 | R219 T222 R228 S266 L267 C268 E309 | R219-R270 PolarHBondContact O-NH1 2.97Å; T222-R270 PolarHBondContact OG1-NH1 3.46Å; R228-R270 WeakPolarHBondContact CD-O 3.44Å; S266-R270 WeakPolarHBondContact O-CB 3.41Å; S266-R270 PolarHBondContact O-N 2.6Å; S266-R270 VanDerWaalsContact O-N 3.15Å; L267-R270 PolarHBondContact O-N 3.05Å; C268-R270 PolarHBondContact O-N 3.42Å; R270-E309 IonicContact NH2-OE2 2.8Å; R270-E309 PolarHBondContact NH2-OE2 3.48Å |
| 271 | C | 84 | Confident | 81.8 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 10% | 0.095 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -100.1 | -3.6 | -175.2 | -55.6 | 0 | 0 | 0 | 0 | 113 | V232 L237 L267 C268 L269 | V232-C271 HydrophobicContact CG2-CB 4.13Å; L237-C271 HydrophobicContact CD2-CB 4.1Å; L267-C271 PolarHBondContact O-N 3.1Å; L267-C271 PolarHBondContact O-SG 3.24Å; C268-C271 PolarHBondContact O-N 2.93Å; L269-C271 VanDerWaalsContact C-N 3.29Å; L269-C271 PolarHBondContact O-N 3.32Å |
| 272 | L | 84 | Confident | 81.8 | Confident | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -61.2 | 147.1 | 168 | -66.2 | -179.3 | 0 | 0 | 0 | 111.3 | C268 L269 I496 V499 F608 | C268-L272 WeakPolarHBondContact O-CG 3.41Å; C268-L272 PolarHBondContact O-N 3.2Å; C268-L272 VanDerWaalsContact O-N 3.1Å; L269-L272 HydrophobicContact CD2-CD1 3.92Å; L272-I496 HydrophobicContact CD2-CG1 4.17Å; L272-V499 HydrophobicContact CD1-CG2 4.28Å; L272-F608 HydrophobicContact CB-CB 4.19Å; L272-F608 HydrophobicContact CD1-CD1 4.1Å |
| 273 | P | 82.2 | Confident | 81.9 | Confident | 84 Ų | 84 | 59.5 Ų | 59.5 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 142.9 | 174.5 | 26.7 | -34.6 | 0 | 0 | 0 | 110.6 | V499 | P273-V499 HydrophobicContact CG-CG1 3.49Å; P273-V499 VanDerWaalsContact CG-CG1 3.49Å |
| 274 | M | 83.5 | Confident | 81.7 | Confident | 77 Ų | 77 | 64.6 Ų | 64.6 | 38% | 0.379 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 126.4 | -177.4 | -68.7 | -73.5 | -75.8 | 0 | 0 | 111 | F608 S610 I626 S628 | M274-F608 CarbonylContact C-O 3.54Å; M274-F608 VanDerWaalsContact CA-O 3.28Å; M274-F608 WeakPolarHBondContact CA-O 3.43Å; M274-S610 VanDerWaalsContact CE-CA 3.4Å; M274-I626 HydrophobicContact CE-CG2 4.09Å; M274-S628 WeakPolarHBondContact CE-OG 3.35Å; M274-S628 PolarHBondContact SD-OG 3.46Å |
| 275 | C | 84.3 | Confident | 81.3 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 32% | 0.318 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -108.7 | 170.7 | 178 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | F608 Y609 S610 | C275-F608 HydrophobicContact CB-CD2 4.08Å; C275-F608 HydrophobicContact CB-CE2 4.46Å; C275-F608 PolarHBondContact N-O 3.27Å; C275-Y609 HydrophobicContact CB-CD1 4.39Å; C275-Y609 CarbonylContact O-C 3.58Å; C275-Y609 WeakPolarHBondContact O-CA 3.44Å; C275-S610 WeakPolarHBondContact O-CB 3.29Å; C275-S610 PolarHBondContact O-N 3.36Å; C275-S610 PolarHBondContact O-OG 3.49Å |
| 276 | R | 83.4 | Confident | 80.8 | Confident | 218 Ų | 218 | 69.4 Ų | 69.4 | 82% | 0.823 | 37% | 0.368 | S | S | * | . | trans | -86.1 | 156.6 | 167.6 | -67.8 | -174.5 | -179.2 | -178.8 | 2.3 | 110.3 | Y609 | R276-Y609 WeakPolarHBondContact O-CD1 2.99Å; R276-Y609 WeakPolarHBondContact O-CE1 2.82Å | ||
| 277 | L | 86.9 | Confident | 80.7 | Confident | 21 Ų | 21 | 72.4 Ų | 72.4 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | trans | -58.4 | 143.9 | 169.2 | -75.6 | 170.5 | 0 | 0 | 0 | 109.8 | V279 M282 I565 N566 Y609 Y629 | L277-V279 HydrophobicContact CB-CG2 3.93Å; L277-V279 PolarHBondContact O-N 3.15Å; L277-M282 HydrophobicContact CD1-CE 4.13Å; L277-M282 HydrophobicContact CD1-SD 3.73Å; L277-I565 HydrophobicContact CD2-CD1 3.73Å; L277-I565 HydrophobicContact CD2-CG1 3.9Å; L277-N566 HydrophobicContact CD1-CB 4.36Å; L277-Y609 HydrophobicContact CD2-CD1 4.2Å; L277-Y609 HydrophobicContact CD2-CD2 3.89Å; L277-Y609 HydrophobicContact CD2-CG 3.7Å; L277-Y609 HydrophobicContact CG-CG 4.39Å; L277-Y629 HydrophobicContact CD1-CD2 3.99Å; L277-Y629 HydrophobicContact CD1-CE2 3.55Å; L277-Y629 HydrophobicContact CD2-CD2 4.39Å; L277-Y629 HydrophobicContact CG-CD2 4.13Å; L277-Y629 HydrophobicContact CG-CE2 4.04Å | ||
| 278 | P | 84.4 | Confident | 80.3 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -77.7 | 58.4 | 179 | 34.4 | -36.9 | 0 | 0 | 0 | 111.1 | I565 | P278-I565 HydrophobicContact CG-CD1 4.03Š|
| 279 | V | 80.6 | Confident | 80.2 | Confident | 82 Ų | 82 | 82.8 Ų | 82.8 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -133.4 | 147.1 | 177.2 | -63.9 | 0 | 0 | 0 | 0 | 109.6 | L277 S281 M282 | L277-V279 HydrophobicContact CB-CG2 3.93Å; L277-V279 PolarHBondContact O-N 3.15Å; V279-S281 VanDerWaalsContact C-N 3.33Å; V279-S281 WeakPolarHBondContact CG2-O 3.16Å; V279-S281 PolarHBondContact O-N 2.78Å; V279-M282 HydrophobicContact CG2-SD 3.94Å |
| 280 | N | 76.9 | Confident | 80.2 | Confident | 173 Ų | 173 | 85 Ų | 85 | 93% | 0.925 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -69.7 | -30.9 | -177.3 | -66.5 | -30.5 | 0 | 0 | 0 | 112.8 | ||
| 281 | S | 78.3 | Confident | 80 | Confident | 58 Ų | 58 | 86.4 Ų | 86.4 | 41% | 0.406 | 46% | 0.461 | S | S | . | . | trans | -147.2 | 152.7 | 179.8 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | V279 E283 | V279-S281 VanDerWaalsContact C-N 3.33Å; V279-S281 WeakPolarHBondContact CG2-O 3.16Å; V279-S281 PolarHBondContact O-N 2.78Å; S281-E283 WeakPolarHBondContact OG-CB 3.03Å; S281-E283 PolarHBondContact OG-N 2.9Å | ||
| 282 | M | 76.6 | Confident | 79.6 | Confident | 126 Ų | 126 | 88.6 Ų | 88.6 | 62% | 0.621 | 47% | 0.474 | S | S | * | . | trans | -100.2 | -1.4 | 168.8 | -70.9 | -63.2 | -59.3 | 0 | 0 | 112.1 | L277 V279 Y629 | L277-M282 HydrophobicContact CD1-CE 4.13Å; L277-M282 HydrophobicContact CD1-SD 3.73Å; V279-M282 HydrophobicContact CG2-SD 3.94Å; M282-Y629 VanDerWaalsContact CE-OH 3.25Å; M282-Y629 WeakPolarHBondContact CE-OH 3.33Å | ||
| 283 | E | 75.4 | Confident | 78.4 | Confident | 149 Ų | 149 | 94.6 Ų | 94.6 | 70% | 0.696 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -73.6 | 138.2 | 176.4 | -62.1 | -170.3 | 151.8 | 0 | 0 | 110 | S281 | S281-E283 WeakPolarHBondContact OG-CB 3.03Å; S281-E283 PolarHBondContact OG-N 2.9Å |
| 284 | H | 75.7 | Confident | 77.2 | Confident | 123 Ų | 123 | 96 Ų | 96 | 57% | 0.569 | 51% | 0.506 | S | S | * | . | trans | -66.2 | 133.8 | 172.9 | -170.7 | -90 | 0 | 0 | 0 | 108.8 | V286 Y459 | H284-V286 PolarHBondContact ND1-N 3.39Å; H284-V286 PolarHBondContact ND1-O 2.97Å; H284-V286 PolarHBondContact O-N 2.86Å; H284-V286 VanDerWaalsContact O-N 3.15Å; H284-Y459 PolarHBondContact CE1-OH 2.65Å | ||
| 285 | P | 74 | Confident | 75.3 | Confident | 59 Ų | 59 | 98.5 Ų | 98.5 | 38% | 0.383 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -67.6 | -16.6 | -173.4 | 30.1 | -41.1 | 0 | 0 | 0 | 113.7 | D513 L516 | P285-D513 HydrophobicContact CB-CB 4.32Å; P285-D513 VanDerWaalsContact CG-OD1 3.25Å; P285-D513 WeakPolarHBondContact CG-OD1 3.32Å; P285-L516 HydrophobicContact CB-CD1 3.45Å; P285-L516 VanDerWaalsContact CB-CD1 3.45Å; P285-L516 HydrophobicContact CG-CD1 3.24Å |
| 286 | V | 72.5 | Confident | 73.1 | Confident | 41 Ų | 41 | 101.5 Ų | 101.5 | 25% | 0.248 | 54% | 0.542 | C | S | . | . | S | Bend | trans | -118.2 | 137.7 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | H284 V458 Y459 L516 | H284-V286 PolarHBondContact ND1-N 3.39Å; H284-V286 PolarHBondContact ND1-O 2.97Å; H284-V286 PolarHBondContact O-N 2.86Å; H284-V286 VanDerWaalsContact O-N 3.15Å; V286-V458 HydrophobicContact CG1-CG1 3.95Å; V286-Y459 HydrophobicContact CG2-CE1 3.61Å; V286-Y459 WeakPolarHBondContact CG2-OH 3.28Å; V286-L516 HydrophobicContact CG2-CD1 3.94Å |
| 287 | T | 77.3 | Confident | 70.8 | Confident | 109 Ų | 109 | 94.8 Ų | 94.8 | 67% | 0.669 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -97 | 123 | 170 | -62 | 0 | 0 | 0 | 0 | 109.9 | ||
| 288 | V | 77.3 | Confident | 68.3 | Low | 55 Ų | 55 | 99.9 Ų | 99.9 | 33% | 0.333 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -95 | 118.6 | 172.7 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | L290 V458 | V288-L290 PolarHBondContact O-N 3.3Å; V288-V458 HydrophobicContact CG2-CG1 4.15Å; V288-V458 HydrophobicContact CG2-CG2 4.06Å |
| 289 | H | 81.4 | Confident | 65.8 | Low | 167 Ų | 167 | 99.7 Ų | 99.7 | 77% | 0.773 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 118.5 | 174.9 | -66.3 | -74.8 | 0 | 0 | 0 | 110 | ||
| 290 | L | 84.4 | Confident | 63.5 | Low | 51 Ų | 51 | 98.8 Ų | 98.8 | 27% | 0.267 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -83.9 | 151.4 | 177.4 | -62.9 | 178.7 | 0 | 0 | 0 | 110.9 | V288 V292 L787 | V288-L290 PolarHBondContact O-N 3.3Å; L290-V292 PolarHBondContact O-N 3.12Å; L290-L787 HydrophobicContact CB-CD2 4.33Å; L290-L787 HydrophobicContact CD1-CD2 4.24Å |
| 291 | P | 77.5 | Confident | 61.4 | Low | 61 Ų | 61 | 93.6 Ų | 93.6 | 40% | 0.396 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -65.7 | -17.4 | -178.1 | 23.9 | -33.1 | 0 | 0 | 0 | 114.5 | F384 S786 | P291-F384 HydrophobicContact CB-CZ 3.93Å; P291-S786 WeakPolarHBondContact CG-O 3.47Å |
| 292 | V | 75.8 | Confident | 59.2 | Low | 61 Ų | 61 | 94.6 Ų | 94.6 | 37% | 0.37 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -131.2 | 135.8 | 179.1 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | L290 R294 S786 | L290-V292 PolarHBondContact O-N 3.12Å; V292-R294 PolarHBondContact O-N 2.84Å; V292-S786 WeakPolarHBondContact CG2-OG 3.39Å |
| 293 | T | 57.3 | Low | 57 | Low | 139 Ų | 139 | 93.6 Ų | 93.6 | 85% | 0.853 | 53% | 0.532 | S | S | * | . | trans | -77.6 | 115.9 | 173.8 | -26.3 | 0 | 0 | 0 | 0 | 109.3 | T295 | T293-T295 PolarHBondContact O-N 2.85Š| ||
| 294 | R | 57.3 | Low | 54.8 | Low | 115 Ų | 115 | 90.6 Ų | 90.6 | 43% | 0.434 | 53% | 0.528 | S | S | . | . | trans | -59.3 | 128.7 | -174.7 | -71.1 | -177.7 | 174.1 | -155.4 | -4.1 | 112.8 | V292 A772 E774 | V292-R294 PolarHBondContact O-N 2.84Å; R294-A772 PolarHBondContact NH2-O 3.25Å; R294-E774 IonicContact CZ-OE1 3.03Å; R294-E774 IonicContact NH1-OE1 2.7Å; R294-E774 PolarHBondContact NH1-OE1 3.49Å; R294-E774 IonicContact NH2-OE1 3.47Å; R294-E774 PolarHBondContact NH2-OE1 3.33Å | ||
| 295 | T | 44.4 | Very low | 52.6 | Low | 128 Ų | 128 | 86.8 Ų | 86.8 | 79% | 0.785 | 51% | 0.512 | S | S | * | . | trans | -89.4 | 114.9 | 150.2 | 35.1 | 0 | 0 | 0 | 0 | 109.2 | T293 C297 | T293-T295 PolarHBondContact O-N 2.85Å; T295-C297 PolarHBondContact O-N 3.01Å | ||
| 296 | T | 37.9 | Very low | 50.7 | Low | 111 Ų | 111 | 86.8 Ų | 86.8 | 68% | 0.681 | 51% | 0.513 | S | S | * | . | trans | 14 | 95.7 | 169.6 | 55.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 297 | C | 35.9 | Very low | 48.8 | Very low | 76 Ų | 76 | 90.6 Ų | 90.6 | 51% | 0.514 | 53% | 0.529 | S | S | . | . | trans | -83.8 | 139.8 | 156 | -74.6 | 0 | 0 | 0 | 0 | 110.6 | T295 | T295-C297 PolarHBondContact O-N 3.01Š| ||
| 298 | T | 33.5 | Very low | 46.7 | Very low | 128 Ų | 128 | 89.2 Ų | 89.2 | 79% | 0.785 | 51% | 0.514 | S | S | * | . | trans | -69.3 | 132.9 | 156.3 | 34.1 | 0 | 0 | 0 | 0 | 108.4 | A300 | T298-A300 PolarHBondContact O-N 3.36Š| ||
| 299 | P | 31.9 | Very low | 44.8 | Very low | 81 Ų | 81 | 88.6 Ų | 88.6 | 53% | 0.526 | 51% | 0.508 | S | S | . | . | trans | -63 | 108.6 | 172.9 | -17 | 30.2 | 0 | 0 | 0 | 108.7 | V616 | P299-V616 HydrophobicContact CB-CG2 4.4Å; P299-V616 HydrophobicContact CG-CG1 4.24Å; P299-V616 HydrophobicContact CG-CG2 4.2Å | ||
| 300 | A | 31.7 | Very low | 42.6 | Very low | 63 Ų | 63 | 81.7 Ų | 81.7 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | trans | -73 | 135.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108 | T298 | T298-A300 PolarHBondContact O-N 3.36Š| ||
| 301 | D | 33.6 | Very low | 40 | Very low | 65 Ų | 65 | 82.4 Ų | 82.4 | 35% | 0.348 | 49% | 0.486 | S | S | . | . | trans | 62.8 | 73 | 165.1 | -65.1 | -12.7 | 0 | 0 | 0 | 117.4 | R778 | D301-R778 WeakPolarHBondContact OD2-CD 3.33Å; D301-R778 IonicContact OD2-NE 3.06Å; D301-R778 PolarHBondContact OD2-NE 3.2Å | ||
| 302 | T | 31.3 | Very low | 38.2 | Very low | 78 Ų | 78 | 83 Ų | 83 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | trans | -115.8 | 89.4 | 131.2 | 52 | 0 | 0 | 0 | 0 | 107.1 | S304 | T302-S304 PolarHBondContact O-N 3.1Š| ||
| 303 | L | 30.7 | Very low | 36.2 | Very low | 105 Ų | 105 | 81.7 Ų | 81.7 | 55% | 0.55 | 48% | 0.48 | S | S | . | . | trans | -49.2 | 136 | 167.4 | -71.9 | 165.5 | 0 | 0 | 0 | 108.2 | D305 | L303-D305 VanDerWaalsContact C-N 3.3Å; L303-D305 PolarHBondContact O-N 3.11Å | ||
| 304 | S | 30.2 | Very low | 35 | Very low | 87 Ų | 87 | 75.8 Ų | 75.8 | 61% | 0.608 | 45% | 0.446 | S | S | * | . | trans | -61.7 | 97.4 | 168.9 | 177.1 | 0 | 0 | 0 | 0 | 107.8 | T302 S306 | T302-S304 PolarHBondContact O-N 3.1Å; S304-S306 PolarHBondContact O-N 3.36Å; S304-S306 PolarHBondContact OG-OG 2.81Å | ||
| 305 | D | 29.5 | Very low | 33.7 | Very low | 43 Ų | 43 | 71.6 Ų | 71.6 | 23% | 0.23 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -5.4 | -178.7 | -68.8 | -41.4 | 0 | 0 | 0 | 113.6 | L303 E307 T570 R611 | L303-D305 VanDerWaalsContact C-N 3.3Å; L303-D305 PolarHBondContact O-N 3.11Å; D305-E307 PolarHBondContact O-N 2.84Å; D305-T570 HydrophobicContact CB-CG2 3.84Å; D305-R611 IonicContact OD2-NH2 3.12Å; D305-R611 PolarHBondContact OD2-NH2 3.07Å |
| 306 | S | 32.5 | Very low | 33.2 | Very low | 59 Ų | 59 | 69.7 Ų | 69.7 | 41% | 0.413 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23.6 | -175.5 | 66.5 | 0 | 0 | 0 | 0 | 115.3 | S304 | S304-S306 PolarHBondContact O-N 3.36Å; S304-S306 PolarHBondContact OG-OG 2.81Å |
| 307 | E | 33.4 | Very low | 32.8 | Very low | 121 Ų | 121 | 64.9 Ų | 64.9 | 57% | 0.565 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -37.5 | -178.4 | -72 | -167.2 | 167.8 | 0 | 0 | 113.8 | K177 D305 E309 L310 | K177-E307 IonicContact NZ-OE1 2.84Å; K177-E307 PolarHBondContact NZ-OE1 3.44Å; D305-E307 PolarHBondContact O-N 2.84Å; E307-E309 PolarHBondContact O-N 2.81Å; E307-L310 PolarHBondContact O-N 2.96Å |
| 308 | E | 33.3 | Very low | 32.6 | Very low | 79 Ų | 79 | 62 Ų | 62 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.8 | -24.4 | 177.7 | -79.6 | -164.6 | 163.6 | 0 | 0 | 112.1 | L310 R571 R819 | E308-L310 PolarHBondContact O-N 3.22Å; E308-R571 PolarHBondContact O-NH2 2.8Å; E308-R819 IonicContact OE1-CZ 3.66Å; E308-R819 IonicContact OE1-NH1 3.44Å; E308-R819 PolarHBondContact OE1-NH1 2.86Å; E308-R819 IonicContact OE2-NH1 3.58Å; E308-R819 PolarHBondContact OE2-NH1 3.08Å |
| 309 | E | 36.4 | Very low | 32.4 | Very low | 43 Ų | 43 | 62.5 Ų | 62.5 | 20% | 0.201 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62 | -28.9 | 175.4 | -72.2 | -165.2 | 165 | 0 | 0 | 113.4 | R270 E307 R606 Y630 | R270-E309 IonicContact NH2-OE2 2.8Å; R270-E309 PolarHBondContact NH2-OE2 3.48Å; E307-E309 PolarHBondContact O-N 2.81Å; E309-R606 IonicContact OE1-CZ 3.75Å; E309-R606 IonicContact OE1-NH1 3.36Å; E309-R606 PolarHBondContact OE1-NH1 3.02Å; E309-R606 IonicContact OE2-NH1 3.93Å; E309-R606 PolarHBondContact OE2-NH1 2.87Å; E309-Y630 PolarHBondContact OE1-OH 3.37Å |
| 310 | L | 35.3 | Very low | 32.3 | Very low | 22 Ų | 22 | 62.3 Ų | 62.3 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -82.9 | -32 | -172.4 | -61.2 | 169.6 | 0 | 0 | 0 | 112.4 | R219 L220 E307 E308 I312 A314 | R219-L310 PolarHBondContact NH1-O 3.03Å; R219-L310 PolarHBondContact NH2-O 2.97Å; R219-L310 VanDerWaalsContact NH2-O 3.1Å; L220-L310 HydrophobicContact CD2-CD2 4.02Å; E307-L310 PolarHBondContact O-N 2.96Å; E308-L310 PolarHBondContact O-N 3.22Å; L310-I312 PolarHBondContact O-N 3.47Å; L310-A314 WeakPolarHBondContact O-CB 3.48Å; L310-A314 PolarHBondContact O-N 3.29Å |
| 311 | S | 30.4 | Very low | 32.2 | Very low | 65 Ų | 65 | 60.8 Ų | 60.8 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.9 | -23 | -166.8 | 143.4 | 0 | 0 | 0 | 0 | 116.5 | A314 G315 R571 | S311-A314 WeakPolarHBondContact O-CB 3.34Å; S311-G315 PolarHBondContact O-N 2.96Å; S311-R571 PolarHBondContact OG-NH2 3.03Å |
| 312 | I | 38.8 | Very low | 31.8 | Very low | 73 Ų | 73 | 58.5 Ų | 58.5 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -106.9 | -35.9 | -173.3 | -79.4 | -175.2 | 0 | 0 | 0 | 116.5 | L310 A314 G315 F316 R571 | L310-I312 PolarHBondContact O-N 3.47Å; I312-A314 CarbonylContact O-C 3.53Å; I312-A314 PolarHBondContact O-N 2.63Å; I312-G315 CarbonylContact O-C 3.56Å; I312-G315 VanDerWaalsContact O-CA 3.3Å; I312-G315 WeakPolarHBondContact O-CA 3.45Å; I312-G315 PolarHBondContact O-N 2.99Å; I312-F316 HydrophobicContact CG2-CD2 3.85Å; I312-F316 HydrophobicContact CG2-CE2 3.76Å; I312-F316 VanDerWaalsContact O-CD2 3.29Å; I312-F316 WeakPolarHBondContact O-CD2 3.42Å; I312-F316 PolarHBondContact O-N 3.29Å; I312-R571 VanDerWaalsContact CG1-CZ 3.41Å; I312-R571 VanDerWaalsContact CG1-NH2 3.35Å |
| 313 | A | 33.8 | Very low | 31.4 | Very low | 34 Ų | 34 | 59 Ų | 59 | 28% | 0.281 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.9 | -21.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L317 | A313-L317 WeakPolarHBondContact O-CB 3.46Å; A313-L317 VanDerWaalsContact O-CD1 3.31Å; A313-L317 WeakPolarHBondContact O-CD1 3.38Å; A313-L317 VanDerWaalsContact O-CG 3.23Å; A313-L317 WeakPolarHBondContact O-CG 3.39Å; A313-L317 PolarHBondContact O-N 2.83Å |
| 314 | A | 32.8 | Very low | 31.2 | Very low | 16 Ų | 16 | 57.5 Ų | 57.5 | 13% | 0.132 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -63.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | L310 S311 I312 F316 L317 T318 | L310-A314 WeakPolarHBondContact O-CB 3.48Å; L310-A314 PolarHBondContact O-N 3.29Å; S311-A314 WeakPolarHBondContact O-CB 3.34Å; I312-A314 CarbonylContact O-C 3.53Å; I312-A314 PolarHBondContact O-N 2.63Å; A314-F316 CarbonylContact O-C 3.03Å; A314-F316 PolarHBondContact O-N 3.3Å; A314-L317 CarbonylContact O-C 3.17Å; A314-L317 WeakPolarHBondContact O-CA 3.46Å; A314-L317 PolarHBondContact O-N 3.17Å; A314-T318 VanDerWaalsContact C-CB 3.44Å; A314-T318 VanDerWaalsContact CA-OG1 3.3Å; A314-T318 WeakPolarHBondContact CA-OG1 3.2Å; A314-T318 WeakPolarHBondContact CB-OG1 3.45Å; A314-T318 VanDerWaalsContact O-CA 3.29Å; A314-T318 WeakPolarHBondContact O-CA 3.37Å; A314-T318 WeakPolarHBondContact O-CB 3.12Å; A314-T318 PolarHBondContact O-N 2.68Å; A314-T318 PolarHBondContact O-OG1 2.84Å |
| 315 | G | 30.5 | Very low | 31 | Very low | 26 Ų | 26 | 60.7 Ų | 60.7 | 27% | 0.268 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -34.6 | -47.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | S311 I312 D319 | S311-G315 PolarHBondContact O-N 2.96Å; I312-G315 CarbonylContact O-C 3.56Å; I312-G315 VanDerWaalsContact O-CA 3.3Å; I312-G315 WeakPolarHBondContact O-CA 3.45Å; I312-G315 PolarHBondContact O-N 2.99Å; G315-D319 VanDerWaalsContact O-CB 3.22Å; G315-D319 WeakPolarHBondContact O-CB 3.38Å; G315-D319 PolarHBondContact O-N 3.02Å |
| 316 | F | 33.3 | Very low | 30.8 | Very low | 88 Ų | 88 | 62.8 Ų | 62.8 | 39% | 0.386 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -77.1 | -36.7 | 175.4 | -71 | -70.1 | 0 | 0 | 0 | 116.1 | F259 I312 A314 | F259-F316 HydrophobicContact CD1-CB 4.17Å; F259-F316 HydrophobicContact CD1-CD1 4.27Å; F259-F316 HydrophobicContact CD1-CG 4.2Å; F259-F316 HydrophobicContact CE1-CB 3.96Å; F259-F316 AromaticContact CE1-CD1 3.25Å; F259-F316 HydrophobicContact CE1-CD1 3.25Å; F259-F316 HydrophobicContact CE1-CD2 4.25Å; F259-F316 AromaticContact CE1-CE1 3.71Å; F259-F316 HydrophobicContact CE1-CE1 3.71Å; F259-F316 AromaticContact CE1-CG 3.56Å; F259-F316 HydrophobicContact CE1-CG 3.56Å; F259-F316 HydrophobicContact CE1-CZ 4.37Å; F259-F316 HydrophobicContact CE2-CD1 4.34Å; F259-F316 HydrophobicContact CZ-CB 4.41Å; F259-F316 AromaticContact CZ-CD1 3.31Å; F259-F316 HydrophobicContact CZ-CD1 3.31Å; F259-F316 AromaticContact CZ-CE1 3.74Å; F259-F316 HydrophobicContact CZ-CE1 3.74Å; F259-F316 HydrophobicContact CZ-CG 4.05Å; I312-F316 HydrophobicContact CG2-CD2 3.85Å; I312-F316 HydrophobicContact CG2-CE2 3.76Å; I312-F316 VanDerWaalsContact O-CD2 3.29Å; I312-F316 WeakPolarHBondContact O-CD2 3.42Å; I312-F316 PolarHBondContact O-N 3.29Å; A314-F316 CarbonylContact O-C 3.03Å; A314-F316 PolarHBondContact O-N 3.3Å |
| 317 | L | 29.5 | Very low | 30.5 | Very low | 10 Ų | 10 | 66.8 Ų | 66.8 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -77.2 | -26.1 | 172.2 | -75.7 | 161 | 0 | 0 | 0 | 112.8 | M212 A313 A314 L321 | M212-L317 HydrophobicContact CB-CD2 3.57Å; M212-L317 HydrophobicContact CE-CD2 3.3Å; M212-L317 HydrophobicContact CE-CG 4.09Å; M212-L317 HydrophobicContact CG-CD2 4.03Å; M212-L317 WeakPolarHBondContact O-CD2 3.42Å; M212-L317 HydrophobicContact SD-CD2 3.45Å; M212-L317 WeakPolarHBondContact SD-CD2 3.48Å; A313-L317 WeakPolarHBondContact O-CB 3.46Å; A313-L317 VanDerWaalsContact O-CD1 3.31Å; A313-L317 WeakPolarHBondContact O-CD1 3.38Å; A313-L317 VanDerWaalsContact O-CG 3.23Å; A313-L317 WeakPolarHBondContact O-CG 3.39Å; A313-L317 PolarHBondContact O-N 2.83Å; A314-L317 CarbonylContact O-C 3.17Å; A314-L317 WeakPolarHBondContact O-CA 3.46Å; A314-L317 PolarHBondContact O-N 3.17Å; L317-L321 WeakPolarHBondContact O-CB 3.38Å; L317-L321 PolarHBondContact O-N 3.07Å |
| 318 | T | 31.6 | Very low | 30.1 | Very low | 15 Ų | 15 | 65.2 Ų | 65.2 | 9% | 0.092 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -87.8 | -35 | -173.7 | -58.2 | 0 | 0 | 0 | 0 | 108.9 | A314 V320 L321 T322 | A314-T318 VanDerWaalsContact C-CB 3.44Å; A314-T318 VanDerWaalsContact CA-OG1 3.3Å; A314-T318 WeakPolarHBondContact CA-OG1 3.2Å; A314-T318 WeakPolarHBondContact CB-OG1 3.45Å; A314-T318 VanDerWaalsContact O-CA 3.29Å; A314-T318 WeakPolarHBondContact O-CA 3.37Å; A314-T318 WeakPolarHBondContact O-CB 3.12Å; A314-T318 PolarHBondContact O-N 2.68Å; A314-T318 PolarHBondContact O-OG1 2.84Å; T318-V320 PolarHBondContact O-N 2.68Å; T318-L321 PolarHBondContact O-N 2.65Å; T318-T322 CarbonylContact C-O 3.5Å; T318-T322 WeakPolarHBondContact CG2-O 3.4Å; T318-T322 CarbonylContact O-C 3.58Å; T318-T322 WeakPolarHBondContact O-CA 3.21Å; T318-T322 PolarHBondContact O-N 3.29Å |
| 319 | D | 29.4 | Very low | 29.7 | Very low | 140 Ų | 140 | 67.4 Ų | 67.4 | 75% | 0.749 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.5 | -29.5 | 167 | -80.5 | -13.1 | 0 | 0 | 0 | 112 | G315 | G315-D319 VanDerWaalsContact O-CB 3.22Å; G315-D319 WeakPolarHBondContact O-CB 3.38Å; G315-D319 PolarHBondContact O-N 3.02Å |
| 320 | V | 29.8 | Very low | 29.1 | Very low | 77 Ų | 77 | 71.6 Ų | 71.6 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -87.5 | -35.8 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 112.3 | T318 | T318-V320 PolarHBondContact O-N 2.68Å |
| 321 | L | 29.6 | Very low | 28.6 | Very low | 30 Ų | 30 | 75.6 Ų | 75.6 | 16% | 0.157 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -110.1 | -23.8 | -172.5 | -65.3 | 176.4 | 0 | 0 | 0 | 116.6 | A213 L317 T318 | A213-L321 HydrophobicContact CB-CD1 4.48Å; L317-L321 WeakPolarHBondContact O-CB 3.38Å; L317-L321 PolarHBondContact O-N 3.07Å; T318-L321 PolarHBondContact O-N 2.65Å |
| 322 | T | 25 | Very low | 28.3 | Very low | 17 Ų | 17 | 80.6 Ų | 80.6 | 10% | 0.104 | 46% | 0.455 | C | S | . | . | trans | -169 | 125.1 | 173.5 | 48.9 | 0 | 0 | 0 | 0 | 113.1 | R130 T318 T324 | R130-T322 HydrophobicContact CB-CG2 4.33Å; R130-T322 HydrophobicContact CG-CG2 3.9Å; T318-T322 CarbonylContact C-O 3.5Å; T318-T322 WeakPolarHBondContact CG2-O 3.4Å; T318-T322 CarbonylContact O-C 3.58Å; T318-T322 WeakPolarHBondContact O-CA 3.21Å; T318-T322 PolarHBondContact O-N 3.29Å; T322-T324 PolarHBondContact O-N 3.3Å; T322-T324 VanDerWaalsContact O-N 3.11Å | ||
| 323 | S | 23.5 | Very low | 27.5 | Very low | 90 Ų | 90 | 86.6 Ų | 86.6 | 63% | 0.629 | 48% | 0.478 | S | S | * | . | trans | -65.8 | 102.5 | 161 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | R130 | R130-S323 PolarHBondContact NH1-OG 2.56Š| ||
| 324 | T | 26.1 | Very low | 27.4 | Very low | 73 Ų | 73 | 89.4 Ų | 89.4 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | trans | -178.8 | 127.9 | 150.8 | 30.3 | 0 | 0 | 0 | 0 | 111.5 | T322 D326 | T322-T324 PolarHBondContact O-N 3.3Å; T322-T324 VanDerWaalsContact O-N 3.11Å; T324-D326 PolarHBondContact O-N 3.43Å | ||
| 325 | D | 26.5 | Very low | 27.2 | Very low | 153 Ų | 153 | 90.8 Ų | 90.8 | 82% | 0.818 | 51% | 0.51 | S | S | * | . | trans | -70.4 | 102.7 | 169.7 | -73.5 | -43.9 | 0 | 0 | 0 | 110.4 | E327 | D325-E327 PolarHBondContact O-N 2.96Š| ||
| 326 | D | 24.6 | Very low | 27.3 | Very low | 87 Ų | 87 | 96.4 Ų | 96.4 | 47% | 0.465 | 54% | 0.541 | S | S | . | . | trans | -77.2 | 70.3 | 168.7 | -82.5 | -45 | 0 | 0 | 0 | 110.1 | K175 T324 S328 | K175-D326 IonicContact NZ-OD2 2.67Å; K175-D326 PolarHBondContact NZ-OD2 2.81Å; T324-D326 PolarHBondContact O-N 3.43Å; D326-S328 VanDerWaalsContact C-N 3.27Å; D326-S328 PolarHBondContact O-N 3.15Å | ||
| 327 | E | 26.8 | Very low | 27.7 | Very low | 143 Ų | 143 | 98.3 Ų | 98.3 | 67% | 0.668 | 55% | 0.552 | S | S | * | * | trans | -83.4 | 74.3 | 156.5 | -75.8 | -162.1 | 172.5 | 0 | 0 | 108.8 | D325 M329 | D325-E327 PolarHBondContact O-N 2.96Å; E327-M329 PolarHBondContact O-N 3.36Å | ||
| 328 | S | 24.7 | Very low | 28.3 | Very low | 89 Ų | 89 | 100.6 Ų | 100.6 | 62% | 0.622 | 58% | 0.578 | S | S | * | * | trans | -76.4 | 80.3 | 164.6 | 67.5 | 0 | 0 | 0 | 0 | 109.4 | D326 V330 | D326-S328 VanDerWaalsContact C-N 3.27Å; D326-S328 PolarHBondContact O-N 3.15Å; S328-V330 PolarHBondContact O-N 2.8Å | ||
| 329 | M | 25 | Very low | 29 | Very low | 124 Ų | 124 | 104.7 Ų | 104.7 | 61% | 0.611 | 61% | 0.605 | S | S | * | * | trans | -63.9 | 117.5 | 165.9 | -75.1 | -160.2 | 159.8 | 0 | 0 | 109 | E327 V331 | E327-M329 PolarHBondContact O-N 3.36Å; M329-V331 PolarHBondContact O-N 2.99Å | ||
| 330 | V | 24.2 | Very low | 30.1 | Very low | 131 Ų | 131 | 100.4 Ų | 100.4 | 79% | 0.794 | 58% | 0.584 | S | S | * | * | trans | -65.1 | 97.6 | 153.9 | 176.7 | 0 | 0 | 0 | 0 | 104.9 | S328 Q332 | S328-V330 PolarHBondContact O-N 2.8Å; V330-Q332 PolarHBondContact O-N 3.13Å | ||
| 331 | V | 25.1 | Very low | 31.1 | Very low | 107 Ų | 107 | 99.9 Ų | 99.9 | 65% | 0.648 | 58% | 0.584 | S | S | * | * | trans | -60.3 | 97.4 | 163.3 | 179.4 | 0 | 0 | 0 | 0 | 105.2 | M329 K333 | M329-V331 PolarHBondContact O-N 2.99Å; V331-K333 PolarHBondContact O-N 2.81Å | ||
| 332 | Q | 23.2 | Very low | 32.3 | Very low | 170 Ų | 170 | 105.8 Ų | 105.8 | 79% | 0.794 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -53 | 124.3 | 162.2 | -77.6 | -177.2 | -10.4 | 0 | 0 | 105.9 | V330 P334 | V330-Q332 PolarHBondContact O-N 3.13Å; Q332-P334 WeakPolarHBondContact O-CD 3.47Å; Q332-P334 VanDerWaalsContact O-N 3.07Å |
| 333 | K | 22.9 | Very low | 34.1 | Very low | 198 Ų | 198 | 106.7 Ų | 106.7 | 86% | 0.861 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 120.2 | 172.2 | -81.4 | -175.1 | 174.7 | -178.1 | 0 | 107.2 | V331 G335 | V331-K333 PolarHBondContact O-N 2.81Å; K333-G335 PolarHBondContact O-N 3.23Å |
| 334 | P | 32.6 | Very low | 35.9 | Very low | 93 Ų | 93 | 110.7 Ų | 110.7 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 127.2 | 174.6 | -17.2 | 28.9 | 0 | 0 | 0 | 107.7 | Q332 | Q332-P334 WeakPolarHBondContact O-CD 3.47Å; Q332-P334 VanDerWaalsContact O-N 3.07Å |
| 335 | G | 28.5 | Very low | 37.7 | Very low | 45 Ų | 45 | 108.8 Ų | 108.8 | 46% | 0.464 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 160.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | K333 E337 | K333-G335 PolarHBondContact O-N 3.23Å; G335-E337 PolarHBondContact O-N 3.25Å |
| 336 | P | 31.4 | Very low | 39.7 | Very low | 144 Ų | 144 | 106.6 Ų | 106.6 | 94% | 0.935 | 59% | 0.59 | S | S | * | * | trans | -72 | 81.1 | 178.9 | 31.6 | -32.5 | 0 | 0 | 0 | 109.1 | ||||
| 337 | E | 41.5 | Very low | 41.7 | Very low | 128 Ų | 128 | 110.6 Ų | 110.6 | 60% | 0.598 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 124.2 | 167.2 | -73.2 | 176.4 | 159.4 | 0 | 0 | 107.7 | G335 K872 | G335-E337 PolarHBondContact O-N 3.25Å; E337-K872 IonicContact OE2-NZ 3.64Å; E337-K872 PolarHBondContact OE2-NZ 3.14Å |
| 338 | G | 42.8 | Very low | 44.1 | Very low | 59 Ų | 59 | 108.6 Ų | 108.6 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 170.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 339 | P | 46.7 | Very low | 47.1 | Very low | 101 Ų | 101 | 105.3 Ų | 105.3 | 66% | 0.656 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 140.7 | -177.6 | 23.6 | -32.6 | 0 | 0 | 0 | 111.3 | S341 Y835 | P339-S341 PolarHBondContact O-N 3.46Å; P339-Y835 WeakPolarHBondContact CA-OH 3.46Å |
| 340 | P | 53 | Low | 50.2 | Low | 49 Ų | 49 | 101 Ų | 101 | 32% | 0.318 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 137.2 | 176.7 | 21.6 | -29.9 | 0 | 0 | 0 | 110.3 | ||
| 341 | S | 49 | Very low | 53.5 | Low | 66 Ų | 66 | 102 Ų | 102 | 46% | 0.462 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -73.2 | 131.5 | -174.6 | 33.6 | 0 | 0 | 0 | 0 | 111.1 | P339 H782 | P339-S341 PolarHBondContact O-N 3.46Å; S341-H782 PolarHBondContact OG-CE1 3.25Å; S341-H782 PolarHBondContact OG-NE2 3.01Å |
| 342 | H | 55.6 | Low | 56.8 | Low | 154 Ų | 154 | 99.7 Ų | 99.7 | 71% | 0.713 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 145.7 | 173.9 | -61.3 | -75.3 | 0 | 0 | 0 | 111.5 | K344 | H342-K344 PolarHBondContact O-N 3.13Š|
| 343 | M | 62.6 | Low | 60.3 | Low | 37 Ų | 37 | 91.6 Ų | 91.6 | 18% | 0.182 | 51% | 0.505 | C | S | . | . | trans | -54.4 | 110 | 174.8 | -179.9 | 166.7 | 57.9 | 0 | 0 | 112.1 | K795 G799 D885 T886 | M343-K795 HydrophobicContact SD-CG 3.93Å; M343-G799 WeakPolarHBondContact SD-CA 3.45Å; M343-D885 HydrophobicContact CB-CB 3.67Å; M343-D885 HydrophobicContact CE-CB 4Å; M343-D885 PolarHBondContact N-OD1 3.02Å; M343-D885 HydrophobicContact SD-CB 4.24Å; M343-T886 HydrophobicContact CE-CG2 3.5Å | ||
| 344 | K | 61.8 | Low | 63.7 | Low | 174 Ų | 174 | 86.9 Ų | 86.9 | 76% | 0.757 | 48% | 0.482 | S | S | * | . | trans | -84.5 | 113.5 | 165 | -70.1 | -175.8 | 178.9 | -178.9 | 0 | 108.1 | H342 F346 | H342-K344 PolarHBondContact O-N 3.13Å; K344-F346 PolarHBondContact O-N 3.27Å | ||
| 345 | L | 63.9 | Low | 66.7 | Low | 33 Ų | 33 | 87.6 Ų | 87.6 | 17% | 0.173 | 48% | 0.476 | C | S | . | . | trans | -63.7 | 122 | 168.3 | -167 | 72.4 | 0 | 0 | 0 | 108.2 | Q347 V350 N796 Y800 H803 | L345-Q347 PolarHBondContact O-N 3.47Å; L345-Q347 VanDerWaalsContact O-N 3.15Å; L345-V350 HydrophobicContact CD2-CG2 3.69Å; L345-V350 HydrophobicContact CG-CG2 4.15Å; L345-N796 HydrophobicContact CD1-CB 4.45Å; L345-Y800 HydrophobicContact CD2-CD2 4.17Å; L345-H803 HydrophobicContact CD2-CB 4.3Å | ||
| 346 | F | 67.2 | Low | 70 | Confident | 106 Ų | 106 | 85.5 Ų | 85.5 | 47% | 0.465 | 45% | 0.454 | S | S | . | . | trans | -72.3 | 109.1 | 176.8 | -68.3 | -86.2 | 0 | 0 | 0 | 109.2 | K344 S348 E349 Y792 | K344-F346 PolarHBondContact O-N 3.27Å; F346-S348 PolarHBondContact O-N 2.94Å; F346-S348 VanDerWaalsContact O-N 3.08Å; F346-E349 PolarHBondContact O-N 3.35Å; F346-Y792 AromaticContact CD2-CE2 3.91Å; F346-Y792 HydrophobicContact CD2-CE2 3.91Å; F346-Y792 AromaticContact CD2-CZ 3.87Å; F346-Y792 WeakPolarHBondContact CD2-OH 3.34Å; F346-Y792 AromaticContact CE2-CE2 3.77Å; F346-Y792 HydrophobicContact CE2-CE2 3.77Å; F346-Y792 WeakPolarHBondContact CG-OH 3.44Å | ||
| 347 | Q | 66.7 | Low | 73 | Confident | 172 Ų | 172 | 78.7 Ų | 78.7 | 80% | 0.804 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -55.3 | -29.6 | -173.8 | -75.6 | -175.5 | -14.9 | 0 | 0 | 113.8 | L345 E349 V350 | L345-Q347 PolarHBondContact O-N 3.47Å; L345-Q347 VanDerWaalsContact O-N 3.15Å; Q347-E349 PolarHBondContact O-N 2.64Å; Q347-E349 VanDerWaalsContact O-N 3.13Å; Q347-V350 WeakPolarHBondContact O-CG2 3.41Å; Q347-V350 PolarHBondContact O-N 3.35Å |
| 348 | S | 78 | Confident | 75.5 | Confident | 101 Ų | 101 | 76.6 Ų | 76.6 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -63 | -19.3 | -177.4 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | F346 | F346-S348 PolarHBondContact O-N 2.94Å; F346-S348 VanDerWaalsContact O-N 3.08Å |
| 349 | E | 87.6 | Confident | 77.7 | Confident | 19 Ų | 19 | 74.1 Ų | 74.1 | 9% | 0.089 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -117.8 | 5.5 | -175.4 | -61.7 | -174.8 | 156.9 | 0 | 0 | 113.9 | F346 Q347 H351 L352 Y353 K785 Y792 H793 | F346-E349 PolarHBondContact O-N 3.35Å; Q347-E349 PolarHBondContact O-N 2.64Å; Q347-E349 VanDerWaalsContact O-N 3.13Å; E349-H351 PolarHBondContact O-N 2.97Å; E349-H351 VanDerWaalsContact O-N 3.11Å; E349-L352 WeakPolarHBondContact O-CB 3.46Å; E349-L352 PolarHBondContact O-N 3.21Å; E349-Y353 HydrophobicContact CB-CD2 4.43Å; E349-Y353 HydrophobicContact CB-CE2 3.67Å; E349-Y353 VanDerWaalsContact O-CD2 3.29Å; E349-Y353 WeakPolarHBondContact O-CD2 3.44Å; E349-Y353 PolarHBondContact O-N 3.26Å; E349-Y353 PolarHBondContact OE2-OH 3.42Å; E349-K785 WeakPolarHBondContact OE1-CD 3.44Å; E349-K785 WeakPolarHBondContact OE1-CE 3.44Å; E349-K785 IonicContact OE1-NZ 3.41Å; E349-K785 PolarHBondContact OE1-NZ 2.9Å; E349-Y792 VanDerWaalsContact OE2-CE1 3.24Å; E349-Y792 WeakPolarHBondContact OE2-CE1 3.29Å; E349-H793 IonicContact OE1-CE1 3.79Å; E349-H793 PolarHBondContact OE1-CE1 3.1Å; E349-H793 IonicContact OE2-CE1 3.96Å; E349-H793 PolarHBondContact OE2-CE1 2.94Å; E349-H793 IonicContact OE2-ND1 2.91Å |
| 350 | V | 90.4 | Very high | 79.8 | Confident | 34 Ų | 34 | 70 Ų | 70 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.3 | -35.7 | -177 | 175 | 0 | 0 | 0 | 0 | 111.4 | L345 Q347 L352 Y353 R354 Y800 | L345-V350 HydrophobicContact CD2-CG2 3.69Å; L345-V350 HydrophobicContact CG-CG2 4.15Å; Q347-V350 WeakPolarHBondContact O-CG2 3.41Å; Q347-V350 PolarHBondContact O-N 3.35Å; V350-L352 VanDerWaalsContact C-N 3.29Å; V350-L352 PolarHBondContact O-N 3.11Å; V350-Y353 PolarHBondContact O-N 3.46Å; V350-R354 WeakPolarHBondContact O-CB 3.34Å; V350-R354 PolarHBondContact O-N 2.9Å; V350-Y800 HydrophobicContact CG1-CD2 4.13Å; V350-Y800 HydrophobicContact CG1-CE2 3.88Å |
| 351 | H | 92.7 | Very high | 81.1 | Confident | 151 Ų | 151 | 70.5 Ų | 70.5 | 70% | 0.699 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.5 | -34.8 | 176.1 | -61.3 | -63.9 | 0 | 0 | 0 | 113.7 | E349 F355 | E349-H351 PolarHBondContact O-N 2.97Å; E349-H351 VanDerWaalsContact O-N 3.11Å; H351-F355 WeakPolarHBondContact O-CB 3.32Å; H351-F355 PolarHBondContact O-N 2.99Å |
| 352 | L | 95.3 | Very high | 81.4 | Confident | 59 Ų | 59 | 74.1 Ų | 74.1 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.4 | -51.8 | 175.5 | 173.4 | 63.4 | 0 | 0 | 0 | 110.5 | E349 V350 R354 F355 L356 | E349-L352 WeakPolarHBondContact O-CB 3.46Å; E349-L352 PolarHBondContact O-N 3.21Å; V350-L352 VanDerWaalsContact C-N 3.29Å; V350-L352 PolarHBondContact O-N 3.11Å; L352-R354 VanDerWaalsContact C-N 3.27Å; L352-R354 PolarHBondContact O-N 2.94Å; L352-F355 WeakPolarHBondContact O-CB 3.41Å; L352-F355 PolarHBondContact O-N 2.67Å; L352-L356 HydrophobicContact CD1-CD1 4.16Å; L352-L356 HydrophobicContact CD1-CG 4.2Å; L352-L356 HydrophobicContact CG-CD1 4.09Å; L352-L356 HydrophobicContact CG-CG 4.49Å; L352-L356 VanDerWaalsContact O-CG 3.3Å; L352-L356 WeakPolarHBondContact O-CG 3.47Å; L352-L356 PolarHBondContact O-N 2.89Å |
| 353 | Y | 96.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -34.8 | -179.1 | -53.1 | -61.5 | 0 | 0 | 0 | 111.8 | E349 V350 L356 C357 H793 N796 L797 Y800 | E349-Y353 HydrophobicContact CB-CD2 4.43Å; E349-Y353 HydrophobicContact CB-CE2 3.67Å; E349-Y353 VanDerWaalsContact O-CD2 3.29Å; E349-Y353 WeakPolarHBondContact O-CD2 3.44Å; E349-Y353 PolarHBondContact O-N 3.26Å; E349-Y353 PolarHBondContact OE2-OH 3.42Å; V350-Y353 PolarHBondContact O-N 3.46Å; Y353-L356 HydrophobicContact CD1-CD1 4.48Å; Y353-L356 PolarHBondContact O-N 3.46Å; Y353-C357 WeakPolarHBondContact O-CB 3.42Å; Y353-C357 PolarHBondContact O-N 2.89Å; Y353-H793 HydrophobicContact CE1-CB 4.46Å; Y353-H793 AromaticContact CZ-ND1 3.8Å; Y353-H793 PolarHBondContact OH-ND1 3.42Å; Y353-N796 HydrophobicContact CD2-CB 4.39Å; Y353-N796 HydrophobicContact CE1-CB 3.79Å; Y353-N796 HydrophobicContact CE2-CB 3.57Å; Y353-N796 WeakPolarHBondContact OH-CB 3.41Å; Y353-L797 HydrophobicContact CD1-CB 4.1Å; Y353-L797 HydrophobicContact CD1-CD1 4.41Å; Y353-L797 HydrophobicContact CE1-CB 4.44Å; Y353-Y800 VanDerWaalsContact CB-CG 3.47Å; Y353-Y800 HydrophobicContact CG-CG 4.45Å |
| 354 | R | 94.2 | Very high | 80 | Confident | 100 Ų | 100 | 74.5 Ų | 74.5 | 38% | 0.377 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.1 | -52.5 | 169.8 | -176.7 | 171.1 | -179.3 | 154.6 | 2.7 | 111.4 | V350 L352 L356 C357 R358 E361 Y800 | V350-R354 WeakPolarHBondContact O-CB 3.34Å; V350-R354 PolarHBondContact O-N 2.9Å; L352-R354 VanDerWaalsContact C-N 3.27Å; L352-R354 PolarHBondContact O-N 2.94Å; R354-L356 VanDerWaalsContact C-N 3.35Å; R354-L356 PolarHBondContact O-N 3.23Å; R354-C357 CarbonylContact O-C 3.54Å; R354-C357 PolarHBondContact O-N 2.91Å; R354-C357 VanDerWaalsContact O-N 3.08Å; R354-R358 PolarHBondContact O-N 2.59Å; R354-E361 WeakPolarHBondContact CD-OE1 3.47Å; R354-E361 WeakPolarHBondContact CG-OE1 3.44Å; R354-E361 IonicContact CZ-OE1 2.65Å; R354-E361 IonicContact CZ-OE2 2.99Å; R354-E361 IonicContact NE-OE1 2.68Å; R354-E361 PolarHBondContact NE-OE1 3.33Å; R354-E361 IonicContact NE-OE2 3.77Å; R354-E361 PolarHBondContact NE-OE2 3.17Å; R354-E361 IonicContact NH2-OE1 3.34Å; R354-E361 IonicContact NH2-OE2 3.51Å; R354-E361 PolarHBondContact NH2-OE2 3.31Å; R354-Y800 WeakPolarHBondContact CA-OH 3.14Å; R354-Y800 HydrophobicContact CB-CE2 4.29Å |
| 355 | F | 95.6 | Very high | 78.5 | Confident | 108 Ų | 108 | 72.7 Ų | 72.7 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 174.1 | 172.6 | -96.9 | 0 | 0 | 0 | 112.8 | H351 L352 C357 R358 | H351-F355 WeakPolarHBondContact O-CB 3.32Å; H351-F355 PolarHBondContact O-N 2.99Å; L352-F355 WeakPolarHBondContact O-CB 3.41Å; L352-F355 PolarHBondContact O-N 2.67Å; F355-C357 PolarHBondContact O-N 2.89Å; F355-R358 WeakPolarHBondContact O-CB 3.46Å; F355-R358 WeakPolarHBondContact O-CD 3.25Å; F355-R358 VanDerWaalsContact O-CG 3.26Å; F355-R358 WeakPolarHBondContact O-CG 3.25Å; F355-R358 PolarHBondContact O-N 2.8Å; F355-R358 PolarHBondContact O-NH1 2.78Å |
| 356 | L | 96.9 | Very high | 77.2 | Confident | 1 Ų | 1 | 81.4 Ų | 81.4 | 1% | 0.005 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.9 | -16.8 | 178.9 | -66.9 | 177.2 | 0 | 0 | 0 | 113.2 | L352 Y353 R354 R678 D680 L682 L693 K752 L797 | L352-L356 HydrophobicContact CD1-CD1 4.16Å; L352-L356 HydrophobicContact CD1-CG 4.2Å; L352-L356 HydrophobicContact CG-CD1 4.09Å; L352-L356 HydrophobicContact CG-CG 4.49Å; L352-L356 VanDerWaalsContact O-CG 3.3Å; L352-L356 WeakPolarHBondContact O-CG 3.47Å; L352-L356 PolarHBondContact O-N 2.89Å; Y353-L356 HydrophobicContact CD1-CD1 4.48Å; Y353-L356 PolarHBondContact O-N 3.46Å; R354-L356 VanDerWaalsContact C-N 3.35Å; R354-L356 PolarHBondContact O-N 3.23Å; L356-R678 PolarHBondContact O-NH2 3.31Å; L356-D680 HydrophobicContact CD2-CB 3.5Å; L356-D680 VanDerWaalsContact CD2-CB 3.5Å; L356-L682 HydrophobicContact CD1-CD1 3.82Å; L356-L693 HydrophobicContact CB-CD2 4.03Å; L356-L693 HydrophobicContact CD1-CD2 4.14Å; L356-L693 HydrophobicContact CD2-CD2 4.19Å; L356-L693 HydrophobicContact CG-CD2 4.35Å; L356-K752 PolarHBondContact O-NZ 3.35Å; L356-L797 HydrophobicContact CB-CD1 4.4Å |
| 357 | C | 95.3 | Very high | 75.6 | Confident | 1 Ų | 1 | 83.7 Ų | 83.7 | 1% | 0.007 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 21.4 | 179.4 | -66.8 | 0 | 0 | 0 | 0 | 113.1 | Y353 R354 F355 E359 L360 Y800 | Y353-C357 WeakPolarHBondContact O-CB 3.42Å; Y353-C357 PolarHBondContact O-N 2.89Å; R354-C357 CarbonylContact O-C 3.54Å; R354-C357 PolarHBondContact O-N 2.91Å; R354-C357 VanDerWaalsContact O-N 3.08Å; F355-C357 PolarHBondContact O-N 2.89Å; C357-E359 PolarHBondContact O-N 3.11Å; C357-L360 HydrophobicContact CB-CD1 4.26Å; C357-L360 WeakPolarHBondContact O-CB 3.35Å; C357-L360 PolarHBondContact O-N 2.67Å; C357-Y800 HydrophobicContact CB-CD1 4.33Å; C357-Y800 HydrophobicContact CB-CE1 3.83Å |
| 358 | R | 93.5 | Very high | 74 | Confident | 83 Ų | 83 | 79.4 Ų | 79.4 | 31% | 0.313 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -53.7 | -20.2 | -175.9 | 61.1 | -170.1 | 173.9 | -87.1 | 16.6 | 115.9 | R354 F355 L360 E361 R678 D680 | R354-R358 PolarHBondContact O-N 2.59Å; F355-R358 WeakPolarHBondContact O-CB 3.46Å; F355-R358 WeakPolarHBondContact O-CD 3.25Å; F355-R358 VanDerWaalsContact O-CG 3.26Å; F355-R358 WeakPolarHBondContact O-CG 3.25Å; F355-R358 PolarHBondContact O-N 2.8Å; F355-R358 PolarHBondContact O-NH1 2.78Å; R358-L360 PolarHBondContact O-N 3.26Å; R358-E361 PolarHBondContact O-N 2.95Å; R358-R678 VanDerWaalsContact CZ-CZ 3.46Å; R358-D680 IonicContact CZ-OD1 3.97Å; R358-D680 IonicContact NH1-OD1 3.79Å; R358-D680 PolarHBondContact NH1-OD1 3.06Å; R358-D680 VanDerWaalsContact NH1-OD1 3.14Å; R358-D680 IonicContact NH1-OD2 3.3Å; R358-D680 PolarHBondContact NH1-OD2 2.95Å; R358-D680 IonicContact NH2-OD1 3.78Å; R358-D680 PolarHBondContact NH2-OD1 2.93Å; R358-D680 IonicContact NH2-OD2 3.69Å |
| 359 | E | 90 | Very high | 72 | Confident | 8 Ų | 8 | 83.3 Ų | 83.3 | 4% | 0.037 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -69.7 | -10.8 | 173.6 | 70.8 | -73.4 | 169.6 | 0 | 0 | 114.5 | C357 R678 T695 L705 I750 K752 | C357-E359 PolarHBondContact O-N 3.11Å; E359-R678 IonicContact OE2-CZ 2.62Å; E359-R678 VanDerWaalsContact OE2-CZ 3.26Å; E359-R678 IonicContact OE2-NH1 2.78Å; E359-R678 PolarHBondContact OE2-NH1 2.7Å; E359-R678 IonicContact OE2-NH2 2.78Å; E359-R678 PolarHBondContact OE2-NH2 3.45Å; E359-T695 HydrophobicContact CG-CG2 4.49Å; E359-L705 HydrophobicContact CB-CD1 3.89Å; E359-I750 HydrophobicContact CG-CD1 4.3Å; E359-K752 WeakPolarHBondContact OE1-CE 3.35Å; E359-K752 IonicContact OE1-NZ 3.44Å; E359-K752 PolarHBondContact OE1-NZ 3.39Å; E359-K752 IonicContact OE2-NZ 2.82Å; E359-K752 PolarHBondContact OE2-NZ 3.19Å |
| 360 | L | 90.6 | Very high | 69.5 | Low | 15 Ų | 15 | 88.7 Ų | 88.7 | 8% | 0.079 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -97.8 | 0.6 | 178.8 | -59.6 | 176 | 0 | 0 | 0 | 113.4 | C357 R358 Q706 I710 I750 L801 I804 K806 | C357-L360 HydrophobicContact CB-CD1 4.26Å; C357-L360 WeakPolarHBondContact O-CB 3.35Å; C357-L360 PolarHBondContact O-N 2.67Å; R358-L360 PolarHBondContact O-N 3.26Å; L360-Q706 PolarHBondContact O-NE2 2.9Å; L360-I710 HydrophobicContact CD1-CD1 4.26Å; L360-I710 HydrophobicContact CD2-CD1 4.19Å; L360-I750 HydrophobicContact CD2-CD1 3.61Å; L360-L801 HydrophobicContact CD1-CD2 3.77Å; L360-I804 HydrophobicContact CD1-CD1 4.02Å; L360-K806 HydrophobicContact CD1-CB 4.37Å; L360-K806 HydrophobicContact CD1-CG 4.23Å |
| 361 | E | 81 | Confident | 66.7 | Low | 58 Ų | 58 | 90.9 Ų | 90.9 | 27% | 0.271 | 46% | 0.463 | S | S | . | . | trans | -90.5 | 149.1 | -177.5 | -69.5 | -170.3 | -150.3 | 0 | 0 | 114.4 | R354 R358 | R354-E361 WeakPolarHBondContact CD-OE1 3.47Å; R354-E361 WeakPolarHBondContact CG-OE1 3.44Å; R354-E361 IonicContact CZ-OE1 2.65Å; R354-E361 IonicContact CZ-OE2 2.99Å; R354-E361 IonicContact NE-OE1 2.68Å; R354-E361 PolarHBondContact NE-OE1 3.33Å; R354-E361 IonicContact NE-OE2 3.77Å; R354-E361 PolarHBondContact NE-OE2 3.17Å; R354-E361 IonicContact NH2-OE1 3.34Å; R354-E361 IonicContact NH2-OE2 3.51Å; R354-E361 PolarHBondContact NH2-OE2 3.31Å; R358-E361 PolarHBondContact O-N 2.95Å | ||
| 362 | F | 55.3 | Low | 63.6 | Low | 142 Ų | 142 | 91 Ų | 91 | 62% | 0.623 | 47% | 0.469 | S | S | * | . | trans | -117.4 | 143.6 | 174.8 | -161.8 | -86 | 0 | 0 | 0 | 110.8 | M364 N703 | F362-M364 PolarHBondContact O-N 3.06Å; F362-N703 WeakPolarHBondContact CD2-OD1 3.46Å; F362-N703 WeakPolarHBondContact CE2-OD1 3.47Å | ||
| 363 | G | 47.9 | Very low | 60.3 | Low | 66 Ų | 66 | 97 Ų | 97 | 68% | 0.68 | 49% | 0.488 | S | S | * | . | trans | 43.4 | 61.6 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 364 | M | 39 | Very low | 57.2 | Low | 134 Ų | 134 | 102.8 Ų | 102.8 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | trans | -84.8 | 118.5 | 145.2 | -73.7 | -164.1 | 78.2 | 0 | 0 | 107.4 | F362 T368 | F362-M364 PolarHBondContact O-N 3.06Å; M364-T368 HydrophobicContact CE-CG2 4.47Å | ||
| 365 | D | 31.4 | Very low | 53.9 | Low | 136 Ų | 136 | 104.8 Ų | 104.8 | 73% | 0.727 | 54% | 0.541 | S | S | * | . | trans | -42.2 | 146.6 | 176.9 | -79.2 | -48 | 0 | 0 | 0 | 112.1 | N367 T368 | D365-N367 PolarHBondContact O-N 3.49Å; D365-T368 PolarHBondContact O-N 2.9Å | ||
| 366 | K | 35.9 | Very low | 50.7 | Low | 215 Ų | 215 | 106.5 Ų | 106.5 | 94% | 0.935 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | 13.7 | 172.5 | -73.7 | -176.1 | 173.7 | 179.8 | 0 | 114.8 | ||
| 367 | N | 34.5 | Very low | 47.3 | Very low | 154 Ų | 154 | 111 Ų | 111 | 82% | 0.824 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | 18.3 | -179.7 | -74.9 | -9.2 | 0 | 0 | 0 | 114.8 | D365 | D365-N367 PolarHBondContact O-N 3.49Š|
| 368 | T | 33.2 | Very low | 44.2 | Very low | 82 Ų | 82 | 117.2 Ų | 117.2 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | trans | -106.6 | 113.5 | 164 | -6.1 | 0 | 0 | 0 | 0 | 109 | M364 D365 L370 | M364-T368 HydrophobicContact CE-CG2 4.47Å; D365-T368 PolarHBondContact O-N 2.9Å; T368-L370 PolarHBondContact O-N 3.21Å | ||
| 369 | E | 35.7 | Very low | 41 | Very low | 184 Ų | 184 | 119 Ų | 119 | 86% | 0.86 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | 32.8 | 176.1 | -80.6 | -174.4 | 142 | 0 | 0 | 114.9 | ||
| 370 | L | 34.6 | Very low | 37.9 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 69% | 0.686 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -14.5 | 179.6 | -148.8 | 70.3 | 0 | 0 | 0 | 113.3 | T368 N372 R373 | T368-L370 PolarHBondContact O-N 3.21Å; L370-N372 VanDerWaalsContact C-N 3.27Å; L370-N372 PolarHBondContact O-N 3.43Å; L370-R373 PolarHBondContact O-N 2.9Å |
| 371 | A | 31.8 | Very low | 34.9 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 66% | 0.661 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -24.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 372 | N | 28.3 | Very low | 32.3 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 0.6 | 177.6 | -76.4 | -12.5 | 0 | 0 | 0 | 114.1 | L370 T374 | L370-N372 VanDerWaalsContact C-N 3.27Å; L370-N372 PolarHBondContact O-N 3.43Å; N372-T374 VanDerWaalsContact C-N 3.26Å; N372-T374 PolarHBondContact O-N 3.48Å |
| 373 | R | 26.1 | Very low | 31.2 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | trans | -95.4 | 50.9 | 165.3 | -68.9 | -169.3 | 179.4 | -173.6 | 1 | 110.8 | L370 | L370-R373 PolarHBondContact O-N 2.9Š| ||
| 374 | T | 30.5 | Very low | 30.2 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | trans | -79 | -0.5 | 165.6 | 34.8 | 0 | 0 | 0 | 0 | 112.9 | N372 | N372-T374 VanDerWaalsContact C-N 3.26Å; N372-T374 PolarHBondContact O-N 3.48Å | ||
| 375 | N | 25.7 | Very low | 29.8 | Very low | 141 Ų | 141 | 135 Ų | 135 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | -106 | 58 | 164.3 | -70.3 | -24.9 | 0 | 0 | 0 | 110.7 | D377 | N375-D377 PolarHBondContact O-N 3.05Š| ||
| 376 | L | 28 | Very low | 29.8 | Very low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | trans | -69.2 | 82.8 | 148.8 | -78.5 | 166.1 | 0 | 0 | 0 | 105.8 | V378 | L376-V378 PolarHBondContact O-N 3.32Š| ||
| 377 | D | 24.9 | Very low | 29.6 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | trans | -46.2 | 114.9 | 153.5 | -81.8 | -43.6 | 0 | 0 | 0 | 105.5 | N375 D379 | N375-D377 PolarHBondContact O-N 3.05Å; D377-D379 HydrophobicContact CB-CB 4.36Å; D377-D379 PolarHBondContact O-N 3.02Å | ||
| 378 | V | 30.1 | Very low | 29.6 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 80% | 0.8 | 66% | 0.661 | S | S | * | * | trans | -70.6 | 67.6 | 167.8 | -176.4 | 0 | 0 | 0 | 0 | 105.9 | L376 | L376-V378 PolarHBondContact O-N 3.32Š| ||
| 379 | D | 26.4 | Very low | 29.5 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 65% | 0.647 | 67% | 0.667 | S | S | * | * | trans | -104 | 20.9 | 170 | -120.5 | -3.3 | 0 | 0 | 0 | 110.7 | D377 T381 | D377-D379 HydrophobicContact CB-CB 4.36Å; D377-D379 PolarHBondContact O-N 3.02Å; D379-T381 PolarHBondContact O-N 2.92Å; D379-T381 PolarHBondContact OD1-OG1 3.39Å | ||
| 380 | E | 26 | Very low | 29.3 | Very low | 174 Ų | 174 | 127 Ų | 127 | 81% | 0.813 | 66% | 0.663 | S | S | * | * | trans | -75.1 | 55.7 | 144 | -73.8 | -173.3 | 173.3 | 0 | 0 | 109.7 | V382 | E380-V382 PolarHBondContact O-N 3.43Š| ||
| 381 | T | 27.5 | Very low | 29.2 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 66% | 0.663 | 66% | 0.662 | S | S | * | * | trans | -77.8 | 42.7 | 146.4 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | D379 | D379-T381 PolarHBondContact O-N 2.92Å; D379-T381 PolarHBondContact OD1-OG1 3.39Å | ||
| 382 | V | 26.1 | Very low | 29.1 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 62% | 0.624 | 66% | 0.66 | S | S | * | * | trans | -86.5 | 117.7 | 176 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | E380 F384 | E380-V382 PolarHBondContact O-N 3.43Å; V382-F384 PolarHBondContact O-N 3.1Å | ||
| 383 | E | 31.2 | Very low | 29.3 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 67% | 0.668 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 73.6 | -12 | 159.5 | -72.2 | -170.1 | 150.8 | 0 | 0 | 123 | T387 | E383-T387 PolarHBondContact O-OG1 3.46Š|
| 384 | F | 27.5 | Very low | 29.8 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 63% | 0.632 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77 | -31.8 | 177.8 | -146.5 | -99.5 | 0 | 0 | 0 | 113.5 | P291 V382 | P291-F384 HydrophobicContact CB-CZ 3.93Å; V382-F384 PolarHBondContact O-N 3.1Å |
| 385 | S | 31 | Very low | 30.1 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 62% | 0.615 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.5 | -29.4 | 178.6 | 102.3 | 0 | 0 | 0 | 0 | 113.2 | R389 | S385-R389 PolarHBondContact O-N 2.98Å |
| 386 | D | 30 | Very low | 30.4 | Very low | 73 Ų | 73 | 136.2 Ų | 136.2 | 39% | 0.39 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -76.4 | -26.9 | -179.8 | -85.3 | -22.7 | 0 | 0 | 0 | 113.2 | R389 K390 | D386-R389 WeakPolarHBondContact O-CB 3.47Å; D386-R389 PolarHBondContact O-N 3.29Å; D386-R389 IonicContact OD1-NH1 3.98Å; D386-K390 PolarHBondContact O-N 3.04Å |
| 387 | T | 33 | Very low | 30.8 | Very low | 81 Ų | 81 | 138 Ų | 138 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -65.8 | -40 | 176.4 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | E383 R389 K390 C391 | E383-T387 PolarHBondContact O-OG1 3.46Å; T387-R389 VanDerWaalsContact C-N 3.35Å; T387-K390 PolarHBondContact O-N 2.98Å; T387-C391 PolarHBondContact O-N 2.77Å; T387-C391 PolarHBondContact O-SG 2.97Å |
| 388 | I | 33.9 | Very low | 31.2 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 54% | 0.544 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -69.3 | -34.6 | 175.6 | -60.4 | 178.6 | 0 | 0 | 0 | 111 | L392 | I388-L392 HydrophobicContact CG2-CD1 4.42Å |
| 389 | R | 32 | Very low | 31.4 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -66 | -35.1 | 175.6 | -108.7 | 179.6 | -173.4 | 168.6 | -0.6 | 113.6 | S385 D386 T387 | S385-R389 PolarHBondContact O-N 2.98Å; D386-R389 WeakPolarHBondContact O-CB 3.47Å; D386-R389 PolarHBondContact O-N 3.29Å; D386-R389 IonicContact OD1-NH1 3.98Å; T387-R389 VanDerWaalsContact C-N 3.35Å |
| 390 | K | 31.7 | Very low | 31.6 | Very low | 175 Ų | 175 | 138 Ų | 138 | 76% | 0.761 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -80.7 | -24.9 | -179.3 | -73.6 | 178.9 | -177.8 | 172.4 | 0 | 113.2 | D386 T387 | D386-K390 PolarHBondContact O-N 3.04Å; T387-K390 PolarHBondContact O-N 2.98Å |
| 391 | C | 30.9 | Very low | 31.8 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 68% | 0.682 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -88.8 | 2.3 | -177 | -69.8 | 0 | 0 | 0 | 0 | 115.3 | T387 | T387-C391 PolarHBondContact O-N 2.77Å; T387-C391 PolarHBondContact O-SG 2.97Å |
| 392 | L | 31.5 | Very low | 31.8 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 62% | 0.618 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -100.2 | 127.1 | 179 | -73 | 168 | 0 | 0 | 0 | 112.3 | I388 | I388-L392 HydrophobicContact CG2-CD1 4.42Š|
| 393 | P | 31.9 | Very low | 32 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 72% | 0.721 | 67% | 0.666 | S | S | * | * | trans | -57.2 | 140 | -179 | -24.6 | 32.3 | 0 | 0 | 0 | 114 | R395 | P393-R395 PolarHBondContact O-N 2.85Š| ||
| 394 | R | 37.1 | Very low | 31.8 | Very low | 217 Ų | 217 | 133.6 Ų | 133.6 | 82% | 0.819 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -48.2 | -20 | -170.4 | -92.1 | 176.4 | 147.1 | 147.3 | -6 | 117.3 | R396 | R394-R396 PolarHBondContact O-N 3.13Š|
| 395 | R | 34.9 | Very low | 31.6 | Very low | 248 Ų | 248 | 130.1 Ų | 130.1 | 94% | 0.936 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -88.9 | 7.6 | -167.9 | -114.7 | -178.9 | 179.4 | 179.9 | -0.5 | 116.6 | P393 | P393-R395 PolarHBondContact O-N 2.85Š|
| 396 | R | 32 | Very low | 31.3 | Very low | 213 Ų | 213 | 132.3 Ų | 132.3 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -125.8 | 22.9 | 175 | -85.5 | -170.1 | 173.1 | -175.2 | -1.8 | 115.6 | R394 N398 | R394-R396 PolarHBondContact O-N 3.13Å; R396-N398 PolarHBondContact O-N 3.33Å |
| 397 | R | 37 | Very low | 31 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 68% | 0.683 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -63.9 | -22.2 | 176 | -82.6 | -176.2 | 176.9 | 164.2 | -1.5 | 114.6 | ||
| 398 | N | 33.3 | Very low | 30.7 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -102.3 | 12.8 | -170.8 | -66.8 | 4.2 | 0 | 0 | 0 | 115.2 | R396 | R396-N398 PolarHBondContact O-N 3.33Š|
| 399 | S | 35.7 | Very low | 30.2 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 58% | 0.58 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -110.1 | 5.5 | 174.6 | -178.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 400 | L | 29.6 | Very low | 29.9 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 58% | 0.581 | 71% | 0.711 | S | S | * | * | trans | -99.7 | 7.2 | -179.9 | -84.8 | 160.8 | 0 | 0 | 0 | 113.7 | E402 V403 S404 | L400-E402 VanDerWaalsContact C-N 3.27Å; L400-E402 PolarHBondContact O-N 3.49Å; L400-V403 HydrophobicContact CD2-CB 4.07Å; L400-V403 HydrophobicContact CD2-CG2 3.94Å; L400-S404 PolarHBondContact O-OG 2.91Å | ||
| 401 | S | 31.1 | Very low | 29.6 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 62% | 0.622 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -67.6 | -25.7 | 169.6 | 44.7 | 0 | 0 | 0 | 0 | 112.6 | S404 | S401-S404 WeakPolarHBondContact O-CB 3.49Å; S401-S404 PolarHBondContact O-OG 3.38Å |
| 402 | E | 27.7 | Very low | 29.4 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -82.6 | -17.8 | 179 | -72.1 | 178.8 | 171.1 | 0 | 0 | 113.9 | L400 S404 | L400-E402 VanDerWaalsContact C-N 3.27Å; L400-E402 PolarHBondContact O-N 3.49Å; E402-S404 VanDerWaalsContact C-N 3.28Å |
| 403 | V | 30 | Very low | 29.3 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -89.2 | 2.4 | 174.5 | -164.5 | 0 | 0 | 0 | 0 | 111.8 | L400 G405 | L400-V403 HydrophobicContact CD2-CB 4.07Å; L400-V403 HydrophobicContact CD2-CG2 3.94Å; V403-G405 PolarHBondContact O-N 3.35Å |
| 404 | S | 26.4 | Very low | 29.3 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 55% | 0.545 | 72% | 0.72 | S | S | . | * | G | 310 helix | trans | -71.1 | -16.2 | 173 | -33.8 | 0 | 0 | 0 | 0 | 113.2 | L400 S401 E402 L406 | L400-S404 PolarHBondContact O-OG 2.91Å; S401-S404 WeakPolarHBondContact O-CB 3.49Å; S401-S404 PolarHBondContact O-OG 3.38Å; E402-S404 VanDerWaalsContact C-N 3.28Å; S404-L406 VanDerWaalsContact C-N 3.34Å; S404-L406 PolarHBondContact O-N 2.94Å |
| 405 | G | 23.8 | Very low | 29.2 | Very low | 71 Ų | 71 | 143.2 Ų | 143.2 | 73% | 0.732 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -76.9 | -11.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V403 | V403-G405 PolarHBondContact O-N 3.35Š|
| 406 | L | 24.2 | Very low | 29.1 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 70% | 0.702 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -124.6 | 52.4 | -179.6 | -87.2 | 125.6 | 0 | 0 | 0 | 111.5 | S404 | S404-L406 VanDerWaalsContact C-N 3.34Å; S404-L406 PolarHBondContact O-N 2.94Å |
| 407 | R | 23.4 | Very low | 29.2 | Very low | 204 Ų | 204 | 128.6 Ų | 128.6 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | trans | -92.5 | 102.7 | 157.8 | -84.6 | -176.6 | 172.4 | -172.7 | -5 | 108.9 | S409 | R407-S409 PolarHBondContact O-N 2.92Š| ||
| 408 | F | 27.1 | Very low | 29.4 | Very low | 162 Ų | 162 | 122.4 Ų | 122.4 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | trans | -69.1 | 90 | 151 | -72 | -78.7 | 0 | 0 | 0 | 106.5 | T410 A418 | F408-T410 PolarHBondContact O-N 3.47Å; F408-T410 VanDerWaalsContact O-N 3.11Å; F408-A418 HydrophobicContact CE1-CB 4.22Å | ||
| 409 | S | 23.8 | Very low | 29.7 | Very low | 84 Ų | 84 | 118.2 Ų | 118.2 | 59% | 0.587 | 65% | 0.646 | S | S | * | * | trans | -45.2 | 116.7 | 173.2 | 170.3 | 0 | 0 | 0 | 0 | 109.5 | R407 Q411 | R407-S409 PolarHBondContact O-N 2.92Å; S409-Q411 PolarHBondContact O-N 3.41Å; S409-Q411 PolarHBondContact OG-N 2.98Å | ||
| 410 | T | 25.4 | Very low | 30 | Very low | 141 Ų | 141 | 121.5 Ų | 121.5 | 87% | 0.865 | 65% | 0.65 | S | S | * | * | trans | -80.6 | 27.3 | 172.7 | 48 | 0 | 0 | 0 | 0 | 111.9 | F408 T412 | F408-T410 PolarHBondContact O-N 3.47Å; F408-T410 VanDerWaalsContact O-N 3.11Å; T410-T412 PolarHBondContact O-N 3.23Å | ||
| 411 | Q | 24 | Very low | 30.9 | Very low | 161 Ų | 161 | 120.3 Ų | 120.3 | 75% | 0.752 | 65% | 0.647 | S | S | * | * | trans | -78.1 | 122.2 | 166.2 | -75.7 | -172.8 | -11.2 | 0 | 0 | 109.8 | S409 K413 | S409-Q411 PolarHBondContact O-N 3.41Å; S409-Q411 PolarHBondContact OG-N 2.98Å; Q411-K413 PolarHBondContact O-N 3.45Å | ||
| 412 | T | 28 | Very low | 31.4 | Very low | 101 Ų | 101 | 118.6 Ų | 118.6 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.1 | 100 | 174 | 39.1 | 0 | 0 | 0 | 0 | 111.8 | T410 | T410-T412 PolarHBondContact O-N 3.23Š|
| 413 | K | 29.9 | Very low | 32.1 | Very low | 203 Ų | 203 | 114.7 Ų | 114.7 | 88% | 0.883 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.5 | -9.2 | 139 | -94.6 | 169.9 | -177.7 | -179.7 | 0 | 115 | Q411 | Q411-K413 PolarHBondContact O-N 3.45Š|
| 414 | D | 31.6 | Very low | 32.9 | Very low | 134 Ų | 134 | 113.5 Ų | 113.5 | 72% | 0.717 | 60% | 0.603 | S | S | * | * | trans | -111 | 29.7 | -172.1 | -94.1 | -18.2 | 0 | 0 | 0 | 116.8 | N416 G417 | D414-N416 PolarHBondContact O-N 3.07Å; D414-N416 VanDerWaalsContact O-N 3.17Å; D414-G417 PolarHBondContact O-N 3.04Å; D414-G417 VanDerWaalsContact O-N 3.13Å | ||
| 415 | K | 34.5 | Very low | 33.8 | Very low | 188 Ų | 188 | 112.3 Ų | 112.3 | 82% | 0.817 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -55.7 | -32.2 | 171.8 | -79.9 | -174.2 | 178.2 | 174.6 | 0 | 112.8 | G417 | K415-G417 PolarHBondContact O-N 2.82Å |
| 416 | N | 33.4 | Very low | 34.7 | Very low | 123 Ų | 123 | 109.6 Ų | 109.6 | 66% | 0.658 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -74.1 | -24 | -179 | -65.3 | -6.3 | 0 | 0 | 0 | 113.2 | D414 K420 | D414-N416 PolarHBondContact O-N 3.07Å; D414-N416 VanDerWaalsContact O-N 3.17Å; N416-K420 VanDerWaalsContact O-CB 3.23Å; N416-K420 WeakPolarHBondContact O-CB 3.18Å; N416-K420 PolarHBondContact O-N 3.49Å; N416-K420 VanDerWaalsContact O-N 3.1Å |
| 417 | G | 33.7 | Very low | 35.5 | Very low | 31 Ų | 31 | 105 Ų | 105 | 32% | 0.32 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74.6 | -48.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D414 K415 K420 V421 | D414-G417 PolarHBondContact O-N 3.04Å; D414-G417 VanDerWaalsContact O-N 3.13Å; K415-G417 PolarHBondContact O-N 2.82Å; G417-K420 PolarHBondContact O-N 2.97Å; G417-V421 WeakPolarHBondContact O-CG2 3.41Å; G417-V421 PolarHBondContact O-N 3.2Å |
| 418 | A | 41.7 | Very low | 36.4 | Very low | 50 Ų | 50 | 104.8 Ų | 104.8 | 41% | 0.413 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F408 V421 L422 | F408-A418 HydrophobicContact CE1-CB 4.22Å; A418-V421 PolarHBondContact O-N 3.45Å; A418-L422 WeakPolarHBondContact O-CB 3.29Å; A418-L422 PolarHBondContact O-N 3.03Å |
| 419 | E | 39.2 | Very low | 37.1 | Very low | 65 Ų | 65 | 103 Ų | 103 | 30% | 0.304 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -56.4 | -52 | 170.1 | -112.8 | -177.5 | 148.8 | 0 | 0 | 110.3 | V421 L422 Y423 F450 | E419-V421 PolarHBondContact O-N 3.18Å; E419-L422 PolarHBondContact O-N 2.76Å; E419-Y423 HydrophobicContact CB-CD2 4.29Å; E419-Y423 HydrophobicContact CB-CE2 4.47Å; E419-Y423 HydrophobicContact CG-CD2 4.32Å; E419-Y423 HydrophobicContact CG-CE2 4.04Å; E419-Y423 WeakPolarHBondContact O-CB 3.28Å; E419-Y423 WeakPolarHBondContact O-CD2 3.48Å; E419-Y423 PolarHBondContact O-N 2.8Å; E419-F450 HydrophobicContact CG-CD2 4.43Å; E419-F450 HydrophobicContact CG-CE2 3.74Å; E419-F450 HydrophobicContact CG-CZ 4.16Å |
| 420 | K | 42.4 | Very low | 38 | Very low | 153 Ų | 153 | 100.2 Ų | 100.2 | 67% | 0.665 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -38.7 | -177 | -159.1 | 173.4 | -172 | 179.3 | 0 | 112.5 | N416 G417 T424 | N416-K420 VanDerWaalsContact O-CB 3.23Å; N416-K420 WeakPolarHBondContact O-CB 3.18Å; N416-K420 PolarHBondContact O-N 3.49Å; N416-K420 VanDerWaalsContact O-N 3.1Å; G417-K420 PolarHBondContact O-N 2.97Å; K420-T424 VanDerWaalsContact O-CB 3.29Å; K420-T424 WeakPolarHBondContact O-CB 3.25Å; K420-T424 PolarHBondContact O-N 3.3Å; K420-T424 PolarHBondContact O-OG1 2.9Å |
| 421 | V | 46.9 | Very low | 38.6 | Very low | 85 Ų | 85 | 97.2 Ų | 97.2 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 175.3 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | G417 A418 E419 T424 S425 | G417-V421 WeakPolarHBondContact O-CG2 3.41Å; G417-V421 PolarHBondContact O-N 3.2Å; A418-V421 PolarHBondContact O-N 3.45Å; E419-V421 PolarHBondContact O-N 3.18Å; V421-T424 PolarHBondContact O-N 3.04Å; V421-S425 WeakPolarHBondContact O-CB 3.25Å; V421-S425 PolarHBondContact O-N 2.83Å; V421-S425 PolarHBondContact O-OG 2.93Å |
| 422 | L | 42.8 | Very low | 39.4 | Very low | 53 Ų | 53 | 96.4 Ų | 96.4 | 28% | 0.277 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -50.2 | 175.8 | -171 | 72.2 | 0 | 0 | 0 | 110.7 | A418 E419 T424 S425 L426 F450 | A418-L422 WeakPolarHBondContact O-CB 3.29Å; A418-L422 PolarHBondContact O-N 3.03Å; E419-L422 PolarHBondContact O-N 2.76Å; L422-T424 VanDerWaalsContact C-N 3.32Å; L422-T424 PolarHBondContact O-N 2.93Å; L422-S425 PolarHBondContact O-N 3.13Å; L422-S425 VanDerWaalsContact O-N 3.16Å; L422-S425 PolarHBondContact O-OG 3.24Å; L422-L426 HydrophobicContact CD1-CD1 4.24Å; L422-L426 HydrophobicContact CD1-CG 4.46Å; L422-L426 HydrophobicContact CD2-CD1 4.25Å; L422-L426 HydrophobicContact CG-CD1 3.77Å; L422-L426 HydrophobicContact CG-CG 4.32Å; L422-L426 WeakPolarHBondContact O-CB 3.47Å; L422-L426 VanDerWaalsContact O-CG 3.28Å; L422-L426 WeakPolarHBondContact O-CG 3.4Å; L422-L426 PolarHBondContact O-N 3.1Å; L422-F450 HydrophobicContact CD2-CD2 4.05Å |
| 423 | Y | 41.6 | Very low | 40.2 | Very low | 90 Ų | 90 | 94.2 Ų | 94.2 | 35% | 0.353 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.4 | -41.1 | 176 | -87.1 | -71.5 | 0 | 0 | 0 | 112.5 | E419 G427 M446 | E419-Y423 HydrophobicContact CB-CD2 4.29Å; E419-Y423 HydrophobicContact CB-CE2 4.47Å; E419-Y423 HydrophobicContact CG-CD2 4.32Å; E419-Y423 HydrophobicContact CG-CE2 4.04Å; E419-Y423 WeakPolarHBondContact O-CB 3.28Å; E419-Y423 WeakPolarHBondContact O-CD2 3.48Å; E419-Y423 PolarHBondContact O-N 2.8Å; Y423-G427 WeakPolarHBondContact O-CA 3.27Å; Y423-G427 PolarHBondContact O-N 2.9Å; Y423-M446 HydrophobicContact CD1-SD 4.23Å; Y423-M446 HydrophobicContact CE1-CB 4.49Å; Y423-M446 HydrophobicContact CE1-SD 4.24Å |
| 424 | T | 46.4 | Very low | 40.6 | Very low | 73 Ų | 73 | 91.5 Ų | 91.5 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.2 | -39 | 178.2 | -50.9 | 0 | 0 | 0 | 0 | 111.4 | K420 V421 L422 R428 | K420-T424 VanDerWaalsContact O-CB 3.29Å; K420-T424 WeakPolarHBondContact O-CB 3.25Å; K420-T424 PolarHBondContact O-N 3.3Å; K420-T424 PolarHBondContact O-OG1 2.9Å; V421-T424 PolarHBondContact O-N 3.04Å; L422-T424 VanDerWaalsContact C-N 3.32Å; L422-T424 PolarHBondContact O-N 2.93Å; T424-R428 PolarHBondContact O-N 2.66Å |
| 425 | S | 46.3 | Very low | 41.2 | Very low | 52 Ų | 52 | 87.2 Ų | 87.2 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.8 | -37.6 | 176.6 | 72.9 | 0 | 0 | 0 | 0 | 112.8 | V421 L422 | V421-S425 WeakPolarHBondContact O-CB 3.25Å; V421-S425 PolarHBondContact O-N 2.83Å; V421-S425 PolarHBondContact O-OG 2.93Å; L422-S425 PolarHBondContact O-N 3.13Å; L422-S425 VanDerWaalsContact O-N 3.16Å; L422-S425 PolarHBondContact O-OG 3.24Å |
| 426 | L | 41.9 | Very low | 41.7 | Very low | 15 Ų | 15 | 84.8 Ų | 84.8 | 8% | 0.079 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -76 | -38.5 | 177.3 | -68.8 | 175 | 0 | 0 | 0 | 111.8 | L422 R428 R429 A430 W445 L529 | L422-L426 HydrophobicContact CD1-CD1 4.24Å; L422-L426 HydrophobicContact CD1-CG 4.46Å; L422-L426 HydrophobicContact CD2-CD1 4.25Å; L422-L426 HydrophobicContact CG-CD1 3.77Å; L422-L426 HydrophobicContact CG-CG 4.32Å; L422-L426 WeakPolarHBondContact O-CB 3.47Å; L422-L426 VanDerWaalsContact O-CG 3.28Å; L422-L426 WeakPolarHBondContact O-CG 3.4Å; L422-L426 PolarHBondContact O-N 3.1Å; L426-R428 PolarHBondContact O-N 3.09Å; L426-R429 PolarHBondContact O-N 3.33Å; L426-A430 PolarHBondContact O-N 3.04Å; L426-W445 HydrophobicContact CB-CH2 4.21Å; L426-W445 HydrophobicContact CD1-CZ3 4.44Å; L426-W445 HydrophobicContact CD2-CH2 4.16Å; L426-W445 HydrophobicContact CD2-CZ3 4.12Å; L426-L529 HydrophobicContact CD2-CD1 4.44Å; L426-L529 HydrophobicContact CD2-CD2 3.95Å; L426-L529 HydrophobicContact CD2-CG 4.45Å |
| 427 | G | 41.2 | Very low | 42.5 | Very low | 37 Ų | 37 | 84.8 Ų | 84.8 | 38% | 0.381 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.1 | -36.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y423 R429 A430 | Y423-G427 WeakPolarHBondContact O-CA 3.27Å; Y423-G427 PolarHBondContact O-N 2.9Å; G427-R429 VanDerWaalsContact C-N 3.25Å; G427-R429 PolarHBondContact O-N 2.82Å; G427-A430 PolarHBondContact O-N 3.37Å |
| 428 | R | 42.2 | Very low | 43.2 | Very low | 200 Ų | 200 | 84.8 Ų | 84.8 | 76% | 0.755 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.8 | -33.4 | 174.3 | -75.4 | -174.6 | -170.5 | -175.9 | 2.8 | 112.5 | T424 L426 S431 | T424-R428 PolarHBondContact O-N 2.66Å; L426-R428 PolarHBondContact O-N 3.09Å; R428-S431 PolarHBondContact O-OG 2.87Å |
| 429 | R | 41.3 | Very low | 43.5 | Very low | 124 Ų | 124 | 89.3 Ų | 89.3 | 47% | 0.468 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -89 | -24.8 | -178.1 | -149.9 | 163.9 | -179.7 | 171.4 | -5.6 | 113.3 | L426 G427 S431 L432 | L426-R429 PolarHBondContact O-N 3.33Å; G427-R429 VanDerWaalsContact C-N 3.25Å; G427-R429 PolarHBondContact O-N 2.82Å; R429-S431 PolarHBondContact O-N 2.87Å; R429-L432 HydrophobicContact CG-CD1 4.1Å; R429-L432 WeakPolarHBondContact O-CB 3.23Å; R429-L432 PolarHBondContact O-N 3.25Å |
| 430 | A | 44 | Very low | 44.3 | Very low | 25 Ų | 25 | 89.9 Ų | 89.9 | 21% | 0.207 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -60 | -24.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L426 G427 L432 D433 W445 M446 | L426-A430 PolarHBondContact O-N 3.04Å; G427-A430 PolarHBondContact O-N 3.37Å; A430-L432 PolarHBondContact O-N 3.21Å; A430-D433 PolarHBondContact O-N 3.21Å; A430-D433 VanDerWaalsContact O-N 3.16Å; A430-W445 HydrophobicContact CB-CZ2 4.34Å; A430-M446 HydrophobicContact CB-CE 3.99Å |
| 431 | S | 38.2 | Very low | 45.4 | Very low | 79 Ų | 79 | 84.9 Ų | 84.9 | 55% | 0.552 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.5 | 173.8 | 73.3 | 0 | 0 | 0 | 0 | 114.2 | R428 R429 | R428-S431 PolarHBondContact O-OG 2.87Å; R429-S431 PolarHBondContact O-N 2.87Å |
| 432 | L | 40.7 | Very low | 46.7 | Very low | 144 Ų | 144 | 83 Ų | 83 | 75% | 0.754 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -12.4 | 177.1 | -69.4 | 158.4 | 0 | 0 | 0 | 112.8 | R429 A430 | R429-L432 HydrophobicContact CG-CD1 4.1Å; R429-L432 WeakPolarHBondContact O-CB 3.23Å; R429-L432 PolarHBondContact O-N 3.25Å; A430-L432 PolarHBondContact O-N 3.21Å |
| 433 | D | 43.6 | Very low | 48.5 | Very low | 54 Ų | 54 | 81.2 Ų | 81.2 | 29% | 0.289 | 44% | 0.44 | S | S | . | . | trans | -109.9 | 47.1 | -172.4 | -156 | 23.7 | 0 | 0 | 0 | 111.4 | A430 G435 | A430-D433 PolarHBondContact O-N 3.21Å; A430-D433 VanDerWaalsContact O-N 3.16Å; D433-G435 PolarHBondContact O-N 2.95Å | ||
| 434 | N | 38.7 | Very low | 50.5 | Low | 147 Ų | 147 | 80.6 Ų | 80.6 | 79% | 0.786 | 44% | 0.443 | S | S | * | . | trans | -78.1 | 19.4 | 178.7 | -84.2 | -13.9 | 0 | 0 | 0 | 113.8 | ||||
| 435 | G | 44.3 | Very low | 52.2 | Low | 44 Ų | 44 | 77.6 Ų | 77.6 | 45% | 0.454 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -71.1 | 147.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D433 R437 | D433-G435 PolarHBondContact O-N 2.95Å; G435-R437 PolarHBondContact O-N 3.17Å |
| 436 | P | 44.2 | Very low | 54 | Low | 136 Ų | 136 | 76.7 Ų | 76.7 | 88% | 0.883 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 122.6 | 174.1 | 22.8 | -31.1 | 0 | 0 | 0 | 110.2 | ||
| 437 | R | 51.5 | Low | 56.2 | Low | 123 Ų | 123 | 77.3 Ų | 77.3 | 46% | 0.464 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -79 | 138.2 | -179.9 | -68.9 | -171.8 | -179.4 | -177.1 | 7.2 | 110.5 | G435 D439 W445 | G435-R437 PolarHBondContact O-N 3.17Å; R437-D439 PolarHBondContact O-N 3.5Å; R437-D439 VanDerWaalsContact O-N 3.17Å; R437-W445 VanDerWaalsContact NH2-NE1 3.12Å |
| 438 | P | 48.7 | Very low | 58.5 | Low | 32 Ų | 32 | 75.9 Ų | 75.9 | 21% | 0.208 | 40% | 0.4 | C | S | . | . | trans | -71.2 | 110.3 | 176.4 | -11 | 25.1 | 0 | 0 | 0 | 110.5 | V441 L472 P593 | P438-V441 WeakPolarHBondContact O-CG2 3.42Å; P438-L472 HydrophobicContact CB-CD2 4.01Å; P438-L472 HydrophobicContact CG-CD2 4.17Å; P438-P593 HydrophobicContact CB-CG 3.94Å | ||
| 439 | D | 48.5 | Very low | 60.6 | Low | 144 Ų | 144 | 66.6 Ų | 66.6 | 77% | 0.77 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -76.9 | 146.3 | 164.6 | -90.4 | -33.9 | 0 | 0 | 0 | 111.1 | R437 | R437-D439 PolarHBondContact O-N 3.5Å; R437-D439 VanDerWaalsContact O-N 3.17Å |
| 440 | P | 54 | Low | 62.8 | Low | 78 Ų | 78 | 63.8 Ų | 63.8 | 51% | 0.506 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | cis | -88.5 | 136.7 | -0.9 | 32.5 | -32.1 | 0 | 0 | 0 | 113.3 | ||
| 441 | V | 66.3 | Low | 65.1 | Low | 48 Ų | 48 | 63.8 Ų | 63.8 | 29% | 0.291 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 133.3 | 172.5 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | P438 Y443 H470 | P438-V441 WeakPolarHBondContact O-CG2 3.42Å; V441-Y443 WeakPolarHBondContact CG1-O 3.44Å; V441-H470 WeakPolarHBondContact CG1-O 3.09Å |
| 442 | W | 74.5 | Confident | 67.5 | Low | 46 Ų | 46 | 60 Ų | 60 | 17% | 0.174 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -76.7 | -31.3 | -176.8 | -79.6 | 49 | 0 | 0 | 0 | 113.8 | G471 Y473 M657 K664 W726 H729 I917 | W442-G471 PolarHBondContact N-O 2.85Å; W442-Y473 PolarHBondContact NE1-O 3.38Å; W442-M657 HydrophobicContact CD2-CE 4.45Å; W442-M657 HydrophobicContact CE3-CE 3.61Å; W442-M657 HydrophobicContact CZ3-CE 3.93Å; W442-K664 PolarHBondContact O-NZ 3.49Å; W442-W726 HydrophobicContact CE3-CZ3 4.5Å; W442-W726 HydrophobicContact CH2-CE3 4.36Å; W442-W726 HydrophobicContact CH2-CH2 4.5Å; W442-W726 AromaticContact CH2-CZ3 3.57Å; W442-W726 HydrophobicContact CH2-CZ3 3.57Å; W442-W726 HydrophobicContact CZ2-CZ3 4.34Å; W442-W726 HydrophobicContact CZ3-CE3 4.49Å; W442-W726 HydrophobicContact CZ3-CH2 4.42Å; W442-W726 AromaticContact CZ3-CZ3 3.61Å; W442-W726 HydrophobicContact CZ3-CZ3 3.61Å; W442-H729 AromaticContact CE3-CE1 3.75Å; W442-H729 AromaticContact CE3-NE2 3.71Å; W442-H729 AromaticContact CH2-NE2 3.95Å; W442-H729 AromaticContact CZ3-CD2 3.54Å; W442-H729 AromaticContact CZ3-CE1 3.41Å; W442-H729 VanDerWaalsContact CZ3-CE1 3.41Å; W442-H729 WeakPolarHBondContact CZ3-CE1 3.13Å; W442-H729 AromaticContact CZ3-ND1 3.95Å; W442-H729 AromaticContact CZ3-NE2 3.12Å; W442-H729 WeakPolarHBondContact CZ3-NE2 3.47Å; W442-I917 HydrophobicContact CH2-CD1 3.68Å; W442-I917 HydrophobicContact CZ2-CD1 4.28Å |
| 443 | Y | 81 | Confident | 69.8 | Low | 14 Ų | 14 | 56.2 Ų | 56.2 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -155.5 | 158.1 | -178.3 | 44.9 | -100.9 | 0 | 0 | 0 | 111.7 | V441 W445 Y448 D468 G471 M657 T660 | V441-Y443 WeakPolarHBondContact CG1-O 3.44Å; Y443-W445 PolarHBondContact O-N 3.02Å; Y443-Y448 AromaticContact CD2-CD2 3.88Å; Y443-Y448 HydrophobicContact CD2-CD2 3.88Å; Y443-Y448 HydrophobicContact CD2-CG 4.28Å; Y443-Y448 HydrophobicContact CE1-CD2 4.2Å; Y443-Y448 HydrophobicContact CE1-CE2 4.44Å; Y443-Y448 AromaticContact CE2-CD2 3.18Å; Y443-Y448 HydrophobicContact CE2-CD2 3.18Å; Y443-Y448 AromaticContact CE2-CE2 3.91Å; Y443-Y448 HydrophobicContact CE2-CE2 3.91Å; Y443-Y448 AromaticContact CE2-CG 3.7Å; Y443-Y448 HydrophobicContact CE2-CG 3.7Å; Y443-Y448 AromaticContact CZ-CD2 3.36Å; Y443-Y448 AromaticContact CZ-CE2 3.63Å; Y443-Y448 WeakPolarHBondContact OH-CD2 3.22Å; Y443-Y448 VanDerWaalsContact OH-CE2 3.24Å; Y443-Y448 WeakPolarHBondContact OH-CE2 3.46Å; Y443-D468 VanDerWaalsContact CE2-O 3.24Å; Y443-D468 WeakPolarHBondContact CE2-O 3.39Å; Y443-D468 PolarHBondContact OH-O 3.36Å; Y443-G471 VanDerWaalsContact CZ-CA 3.44Å; Y443-M657 HydrophobicContact CE1-CE 4.33Å; Y443-M657 HydrophobicContact CE1-CG 3.95Å; Y443-M657 HydrophobicContact CE1-SD 4.49Å; Y443-T660 HydrophobicContact CD1-CG2 4.37Å; Y443-T660 HydrophobicContact CD2-CG2 4.11Å; Y443-T660 HydrophobicContact CG-CG2 3.75Å |
| 444 | N | 83.2 | Confident | 71.9 | Confident | 77 Ų | 77 | 56.1 Ų | 56.1 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | trans | -66.9 | 133.5 | 171.5 | -171.1 | -35.3 | 0 | 0 | 0 | 109.5 | M446 D447 Y448 | N444-M446 VanDerWaalsContact C-N 3.26Å; N444-M446 PolarHBondContact O-N 3.3Å; N444-M446 PolarHBondContact OD1-N 3.4Å; N444-D447 HydrophobicContact CB-CB 4.41Å; N444-D447 WeakPolarHBondContact CB-OD2 2.82Å; N444-D447 WeakPolarHBondContact O-CB 2.96Å; N444-D447 PolarHBondContact O-N 3.23Å; N444-Y448 PolarHBondContact O-N 3.39Å | ||
| 445 | W | 81.5 | Confident | 74.4 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 4% | 0.038 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -35.6 | 179.1 | 70.8 | -102.8 | 0 | 0 | 0 | 112.1 | L426 A430 R437 Y443 D447 Y448 V449 Y469 L529 | L426-W445 HydrophobicContact CB-CH2 4.21Å; L426-W445 HydrophobicContact CD1-CZ3 4.44Å; L426-W445 HydrophobicContact CD2-CH2 4.16Å; L426-W445 HydrophobicContact CD2-CZ3 4.12Å; A430-W445 HydrophobicContact CB-CZ2 4.34Å; R437-W445 VanDerWaalsContact NH2-NE1 3.12Å; Y443-W445 PolarHBondContact O-N 3.02Å; W445-D447 VanDerWaalsContact C-N 3.32Å; W445-D447 PolarHBondContact O-N 3.06Å; W445-Y448 WeakPolarHBondContact O-CA 3.23Å; W445-Y448 WeakPolarHBondContact O-CB 3.36Å; W445-Y448 PolarHBondContact O-N 3.15Å; W445-Y448 VanDerWaalsContact O-N 3.1Å; W445-V449 HydrophobicContact CE3-CG2 3.61Å; W445-V449 HydrophobicContact CZ3-CG2 3.93Å; W445-V449 WeakPolarHBondContact O-CG2 3.41Å; W445-V449 PolarHBondContact O-N 2.9Å; W445-Y469 HydrophobicContact CB-CD1 4.46Å; W445-Y469 HydrophobicContact CB-CE1 4.34Å; W445-Y469 HydrophobicContact CB-CE2 4.41Å; W445-Y469 WeakPolarHBondContact CB-O 3.4Å; W445-Y469 HydrophobicContact CD2-CE1 4.24Å; W445-Y469 AromaticContact CD2-CE2 3.95Å; W445-Y469 HydrophobicContact CD2-CE2 3.95Å; W445-Y469 AromaticContact CD2-CZ 3.6Å; W445-Y469 HydrophobicContact CE3-CD2 4.34Å; W445-Y469 HydrophobicContact CE3-CE1 4.43Å; W445-Y469 AromaticContact CE3-CE2 3.34Å; W445-Y469 HydrophobicContact CE3-CE2 3.34Å; W445-Y469 AromaticContact CE3-CZ 3.42Å; W445-Y469 VanDerWaalsContact CE3-CZ 3.42Å; W445-Y469 HydrophobicContact CG-CE1 4.22Å; W445-Y469 HydrophobicContact CG-CE2 4.43Å; W445-Y469 WeakPolarHBondContact CH2-OH 3.46Å; W445-Y469 AromaticContact CZ3-CE2 3.84Å; W445-Y469 HydrophobicContact CZ3-CE2 3.84Å; W445-Y469 AromaticContact CZ3-CZ 3.88Å; W445-Y469 VanDerWaalsContact CZ3-OH 3.26Å; W445-Y469 WeakPolarHBondContact CZ3-OH 3.16Å; W445-L529 HydrophobicContact CH2-CD2 4.11Å; W445-L529 HydrophobicContact CZ3-CD2 3.67Å |
| 446 | M | 84.7 | Confident | 76.7 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 16% | 0.163 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | -179.6 | -67.8 | -173 | -177.5 | 0 | 0 | 111.4 | Y423 A430 N444 Y448 V449 F450 | Y423-M446 HydrophobicContact CD1-SD 4.23Å; Y423-M446 HydrophobicContact CE1-CB 4.49Å; Y423-M446 HydrophobicContact CE1-SD 4.24Å; A430-M446 HydrophobicContact CB-CE 3.99Å; N444-M446 VanDerWaalsContact C-N 3.26Å; N444-M446 PolarHBondContact O-N 3.3Å; N444-M446 PolarHBondContact OD1-N 3.4Å; M446-Y448 VanDerWaalsContact C-N 3.29Å; M446-Y448 PolarHBondContact O-N 2.87Å; M446-V449 PolarHBondContact O-N 3.09Å; M446-F450 WeakPolarHBondContact O-CB 3.46Å; M446-F450 PolarHBondContact O-N 3.18Å |
| 447 | D | 87.5 | Confident | 78.7 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 15% | 0.15 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -44.9 | 174.6 | -68.2 | -23.8 | 0 | 0 | 0 | 110.4 | N444 W445 F450 Q451 T660 M663 | N444-D447 HydrophobicContact CB-CB 4.41Å; N444-D447 WeakPolarHBondContact CB-OD2 2.82Å; N444-D447 WeakPolarHBondContact O-CB 2.96Å; N444-D447 PolarHBondContact O-N 3.23Å; W445-D447 VanDerWaalsContact C-N 3.32Å; W445-D447 PolarHBondContact O-N 3.06Å; D447-F450 PolarHBondContact O-N 3.34Å; D447-Q451 VanDerWaalsContact O-CG 3.26Å; D447-Q451 WeakPolarHBondContact O-CG 3.2Å; D447-Q451 PolarHBondContact O-N 3.31Å; D447-T660 HydrophobicContact CB-CG2 3.93Å; D447-M663 HydrophobicContact CB-CE 3.37Å; D447-M663 WeakPolarHBondContact OD1-CE 3.46Å |
| 448 | Y | 89.5 | Confident | 80.3 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 177.1 | -166.7 | -80.8 | 0 | 0 | 0 | 112.1 | Y443 N444 W445 M446 F450 Q451 A452 I464 D468 T654 T656 M657 | Y443-Y448 AromaticContact CD2-CD2 3.88Å; Y443-Y448 HydrophobicContact CD2-CD2 3.88Å; Y443-Y448 HydrophobicContact CD2-CG 4.28Å; Y443-Y448 HydrophobicContact CE1-CD2 4.2Å; Y443-Y448 HydrophobicContact CE1-CE2 4.44Å; Y443-Y448 AromaticContact CE2-CD2 3.18Å; Y443-Y448 HydrophobicContact CE2-CD2 3.18Å; Y443-Y448 AromaticContact CE2-CE2 3.91Å; Y443-Y448 HydrophobicContact CE2-CE2 3.91Å; Y443-Y448 AromaticContact CE2-CG 3.7Å; Y443-Y448 HydrophobicContact CE2-CG 3.7Å; Y443-Y448 AromaticContact CZ-CD2 3.36Å; Y443-Y448 AromaticContact CZ-CE2 3.63Å; Y443-Y448 WeakPolarHBondContact OH-CD2 3.22Å; Y443-Y448 VanDerWaalsContact OH-CE2 3.24Å; Y443-Y448 WeakPolarHBondContact OH-CE2 3.46Å; N444-Y448 PolarHBondContact O-N 3.39Å; W445-Y448 WeakPolarHBondContact O-CA 3.23Å; W445-Y448 WeakPolarHBondContact O-CB 3.36Å; W445-Y448 PolarHBondContact O-N 3.15Å; W445-Y448 VanDerWaalsContact O-N 3.1Å; M446-Y448 VanDerWaalsContact C-N 3.29Å; M446-Y448 PolarHBondContact O-N 2.87Å; Y448-F450 VanDerWaalsContact C-N 3.33Å; Y448-F450 PolarHBondContact O-N 3.5Å; Y448-Q451 CarbonylContact O-C 3.54Å; Y448-Q451 PolarHBondContact O-N 3.36Å; Y448-A452 WeakPolarHBondContact O-CB 3.13Å; Y448-A452 PolarHBondContact O-N 3.47Å; Y448-I464 HydrophobicContact CD1-CD1 4.34Å; Y448-I464 HydrophobicContact CD1-CG2 4.02Å; Y448-I464 HydrophobicContact CE1-CG2 3.72Å; Y448-D468 HydrophobicContact CE1-CB 3.9Å; Y448-D468 HydrophobicContact CE2-CB 4.42Å; Y448-D468 WeakPolarHBondContact OH-CB 3.49Å; Y448-D468 PolarHBondContact OH-OD1 2.79Å; Y448-T654 PolarHBondContact OH-OG1 3.42Å; Y448-T656 HydrophobicContact CD1-CG2 3.58Å; Y448-T656 HydrophobicContact CD2-CG2 3.81Å; Y448-T656 HydrophobicContact CE1-CG2 3.44Å; Y448-T656 VanDerWaalsContact CE1-CG2 3.44Å; Y448-T656 HydrophobicContact CE2-CG2 3.75Å; Y448-T656 HydrophobicContact CG-CG2 3.77Å; Y448-T656 VanDerWaalsContact O-CG2 3.22Å; Y448-T656 WeakPolarHBondContact O-CG2 3.25Å; Y448-M657 HydrophobicContact CE2-CB 3.99Å |
| 449 | V | 87.6 | Confident | 81.4 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 177.7 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | W445 M446 Q451 A452 A453 I464 Y469 L528 | W445-V449 HydrophobicContact CE3-CG2 3.61Å; W445-V449 HydrophobicContact CZ3-CG2 3.93Å; W445-V449 WeakPolarHBondContact O-CG2 3.41Å; W445-V449 PolarHBondContact O-N 2.9Å; M446-V449 PolarHBondContact O-N 3.09Å; V449-Q451 VanDerWaalsContact C-N 3.35Å; V449-Q451 PolarHBondContact O-N 2.76Å; V449-A452 WeakPolarHBondContact O-CB 3.43Å; V449-A452 PolarHBondContact O-N 2.84Å; V449-A453 WeakPolarHBondContact O-CB 3.45Å; V449-A453 PolarHBondContact O-N 3Å; V449-I464 HydrophobicContact CB-CD1 4.05Å; V449-I464 HydrophobicContact CG1-CD1 4.14Å; V449-I464 HydrophobicContact CG2-CD1 3.62Å; V449-Y469 HydrophobicContact CG2-CD2 4.05Å; V449-Y469 HydrophobicContact CG2-CE2 3.84Å; V449-L528 HydrophobicContact CG1-CB 4.03Å; V449-L528 HydrophobicContact CG1-CD1 4.18Å |
| 450 | F | 87.8 | Confident | 82.3 | Confident | 66 Ų | 66 | 43.7 Ų | 43.7 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -43.3 | 176 | 179.5 | -97.3 | 0 | 0 | 0 | 111.8 | E419 L422 M446 D447 Y448 A452 A453 S454 | E419-F450 HydrophobicContact CG-CD2 4.43Å; E419-F450 HydrophobicContact CG-CE2 3.74Å; E419-F450 HydrophobicContact CG-CZ 4.16Å; L422-F450 HydrophobicContact CD2-CD2 4.05Å; M446-F450 WeakPolarHBondContact O-CB 3.46Å; M446-F450 PolarHBondContact O-N 3.18Å; D447-F450 PolarHBondContact O-N 3.34Å; Y448-F450 VanDerWaalsContact C-N 3.33Å; Y448-F450 PolarHBondContact O-N 3.5Å; F450-A452 VanDerWaalsContact C-N 3.33Å; F450-A452 PolarHBondContact O-N 3.47Å; F450-A453 PolarHBondContact O-N 3.23Å; F450-S454 PolarHBondContact O-N 3.14Å; F450-S454 PolarHBondContact O-OG 2.7Å; F450-S454 VanDerWaalsContact O-OG 3.11Å |
| 451 | Q | 91.1 | Very high | 82.9 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 11% | 0.112 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -36.7 | 174 | -66.7 | -55.4 | -26.8 | 0 | 0 | 111.7 | D447 Y448 V449 S454 T455 T656 K659 | D447-Q451 VanDerWaalsContact O-CG 3.26Å; D447-Q451 WeakPolarHBondContact O-CG 3.2Å; D447-Q451 PolarHBondContact O-N 3.31Å; Y448-Q451 CarbonylContact O-C 3.54Å; Y448-Q451 PolarHBondContact O-N 3.36Å; V449-Q451 VanDerWaalsContact C-N 3.35Å; V449-Q451 PolarHBondContact O-N 2.76Å; Q451-S454 PolarHBondContact O-OG 2.79Å; Q451-T455 PolarHBondContact O-OG1 3.35Å; Q451-T656 HydrophobicContact CB-CG2 3.68Å; Q451-K659 HydrophobicContact CB-CB 4.16Å; Q451-K659 HydrophobicContact CG-CB 3.98Å; Q451-K659 WeakPolarHBondContact O-CE 3.21Å; Q451-K659 PolarHBondContact O-NZ 3.23Å |
| 452 | A | 89.7 | Confident | 82.8 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -48.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y448 V449 F450 S454 T455 I464 L528 T656 | Y448-A452 WeakPolarHBondContact O-CB 3.13Å; Y448-A452 PolarHBondContact O-N 3.47Å; V449-A452 WeakPolarHBondContact O-CB 3.43Å; V449-A452 PolarHBondContact O-N 2.84Å; F450-A452 VanDerWaalsContact C-N 3.33Å; F450-A452 PolarHBondContact O-N 3.47Å; A452-S454 PolarHBondContact O-N 2.55Å; A452-T455 VanDerWaalsContact O-CB 3.31Å; A452-T455 WeakPolarHBondContact O-CB 3.25Å; A452-T455 PolarHBondContact O-N 3.49Å; A452-T455 PolarHBondContact O-OG1 2.88Å; A452-I464 HydrophobicContact CB-CD1 3.79Å; A452-I464 HydrophobicContact CB-CG1 4.17Å; A452-L528 HydrophobicContact CB-CD1 4.08Å; A452-T656 HydrophobicContact CB-CG2 3.94Å |
| 453 | A | 87.6 | Confident | 82.8 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 52% | 0.521 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -29.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V449 F450 T455 L528 | V449-A453 WeakPolarHBondContact O-CB 3.45Å; V449-A453 PolarHBondContact O-N 3Å; F450-A453 PolarHBondContact O-N 3.23Å; A453-T455 VanDerWaalsContact C-N 3.34Å; A453-L528 HydrophobicContact CB-CD1 3.76Å |
| 454 | S | 88.9 | Confident | 82.7 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 0.5 | 177.2 | 59 | 0 | 0 | 0 | 0 | 114.6 | F450 Q451 A452 K659 | F450-S454 PolarHBondContact O-N 3.14Å; F450-S454 PolarHBondContact O-OG 2.7Å; F450-S454 VanDerWaalsContact O-OG 3.11Å; Q451-S454 PolarHBondContact O-OG 2.79Å; A452-S454 PolarHBondContact O-N 2.55Å; S454-K659 PolarHBondContact OG-NZ 3.46Å; S454-K659 VanDerWaalsContact OG-NZ 3.09Å |
| 455 | T | 91.6 | Very high | 82.6 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | trans | -90.8 | 129 | -178 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | Q451 A452 A453 F461 Y655 K659 V763 | Q451-T455 PolarHBondContact O-OG1 3.35Å; A452-T455 VanDerWaalsContact O-CB 3.31Å; A452-T455 WeakPolarHBondContact O-CB 3.25Å; A452-T455 PolarHBondContact O-N 3.49Å; A452-T455 PolarHBondContact O-OG1 2.88Å; A453-T455 VanDerWaalsContact C-N 3.34Å; T455-F461 HydrophobicContact CG2-CE2 3.67Å; T455-F461 HydrophobicContact CG2-CZ 3.92Å; T455-Y655 HydrophobicContact CG2-CD1 3.71Å; T455-Y655 HydrophobicContact CG2-CE1 4.02Å; T455-K659 WeakPolarHBondContact OG1-CE 3.25Å; T455-K659 PolarHBondContact OG1-NZ 2.8Å; T455-V763 HydrophobicContact CG2-CB 4.43Å; T455-V763 HydrophobicContact CG2-CG1 3.9Å; T455-V763 HydrophobicContact CG2-CG2 3.59Å | ||
| 456 | H | 90.8 | Very high | 82.7 | Confident | 106 Ų | 106 | 42 Ų | 42 | 49% | 0.491 | 25% | 0.245 | S | C | . | . | trans | -86.2 | 132.3 | 176.2 | -64 | 65.4 | 0 | 0 | 0 | 110 | A687 N689 | H456-A687 HydrophobicContact CB-CB 4.36Å; H456-A687 WeakPolarHBondContact CB-O 3.24Å; H456-N689 PolarHBondContact N-OD1 2.89Å; H456-N689 PolarHBondContact O-ND2 3Å; H456-N689 PolarHBondContact O-OD1 3.35Å | ||
| 457 | S | 87.8 | Confident | 82.7 | Confident | 28 Ų | 28 | 40.4 Ų | 40.4 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | trans | -142.3 | 154.2 | -178.5 | 49 | 0 | 0 | 0 | 0 | 109.2 | Y459 V763 | S457-Y459 WeakPolarHBondContact CB-O 3.43Å; S457-Y459 PolarHBondContact O-N 3.44Å; S457-Y459 VanDerWaalsContact OG-C 3.26Å; S457-Y459 PolarHBondContact OG-O 3.35Å; S457-V763 VanDerWaalsContact CB-CG1 3.41Å | ||
| 458 | V | 83.4 | Confident | 82.6 | Confident | 49 Ų | 49 | 40 Ų | 40 | 30% | 0.297 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -62.7 | -37.7 | 172.9 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | V286 V288 N764 L771 | V286-V458 HydrophobicContact CG1-CG1 3.95Å; V288-V458 HydrophobicContact CG2-CG1 4.15Å; V288-V458 HydrophobicContact CG2-CG2 4.06Å; V458-N764 VanDerWaalsContact CB-OD1 3.27Å; V458-N764 WeakPolarHBondContact CB-OD1 3.5Å; V458-N764 WeakPolarHBondContact CG2-OD1 3.39Å; V458-N764 PolarHBondContact N-OD1 3.44Å; V458-L771 HydrophobicContact CG2-CD1 4.07Å; V458-L771 HydrophobicContact CG2-CD2 3.73Å |
| 459 | Y | 73.2 | Confident | 82.1 | Confident | 82 Ų | 82 | 40.8 Ų | 40.8 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -106.2 | 115.7 | 170.5 | -52.5 | -75 | 0 | 0 | 0 | 109.8 | H284 V286 S457 F461 L516 | H284-Y459 PolarHBondContact CE1-OH 2.65Å; V286-Y459 HydrophobicContact CG2-CE1 3.61Å; V286-Y459 WeakPolarHBondContact CG2-OH 3.28Å; S457-Y459 WeakPolarHBondContact CB-O 3.43Å; S457-Y459 PolarHBondContact O-N 3.44Å; S457-Y459 VanDerWaalsContact OG-C 3.26Å; S457-Y459 PolarHBondContact OG-O 3.35Å; Y459-F461 PolarHBondContact O-N 3.26Å; Y459-L516 HydrophobicContact CD1-CD2 3.96Å; Y459-L516 HydrophobicContact CE1-CD1 4.12Å; Y459-L516 HydrophobicContact CE1-CD2 3.54Å; Y459-L516 HydrophobicContact CE1-CG 4.49Å |
| 460 | P | 67.8 | Low | 81.5 | Confident | 90 Ų | 90 | 41.8 Ų | 41.8 | 58% | 0.584 | 24% | 0.243 | S | C | * | . | trans | -52.2 | 140.4 | 173.1 | -24.5 | 33.4 | 0 | 0 | 0 | 110.9 | A462 | P460-A462 PolarHBondContact O-N 3.34Š| ||
| 461 | F | 66.1 | Low | 80.8 | Confident | 71 Ų | 71 | 38.6 Ų | 38.6 | 31% | 0.311 | 23% | 0.229 | S | C | . | . | trans | -58.6 | 121.2 | 173.7 | -67.8 | -88.1 | 0 | 0 | 0 | 109.2 | T455 Y459 L528 V763 | T455-F461 HydrophobicContact CG2-CE2 3.67Å; T455-F461 HydrophobicContact CG2-CZ 3.92Å; Y459-F461 PolarHBondContact O-N 3.26Å; F461-L528 HydrophobicContact CB-CD2 3.56Å; F461-L528 VanDerWaalsContact O-CD2 3.28Å; F461-L528 WeakPolarHBondContact O-CD2 3.46Å; F461-V763 HydrophobicContact CE2-CG1 4.39Å; F461-V763 HydrophobicContact CZ-CG1 4.07Å | ||
| 462 | A | 64.8 | Low | 79.7 | Confident | 74 Ų | 74 | 37.6 Ų | 37.6 | 61% | 0.612 | 22% | 0.224 | S | C | * | . | trans | -83.9 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P460 | P460-A462 PolarHBondContact O-N 3.34Š| ||
| 463 | T | 72.9 | Confident | 78.9 | Confident | 49 Ų | 49 | 37.9 Ų | 37.9 | 30% | 0.301 | 23% | 0.225 | S | C | . | . | trans | -148.2 | 157.4 | -176 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | E549 | T463-E549 WeakPolarHBondContact CB-OE1 3.42Å; T463-E549 WeakPolarHBondContact CG2-OE1 3.45Å; T463-E549 PolarHBondContact OG1-OE1 3.07Å | ||
| 464 | I | 80.2 | Confident | 77.7 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | trans | -99.5 | 127.6 | 170.2 | -65.9 | 163 | 0 | 0 | 0 | 108.1 | Y448 V449 A452 D468 Y469 L528 S530 | Y448-I464 HydrophobicContact CD1-CD1 4.34Å; Y448-I464 HydrophobicContact CD1-CG2 4.02Å; Y448-I464 HydrophobicContact CE1-CG2 3.72Å; V449-I464 HydrophobicContact CB-CD1 4.05Å; V449-I464 HydrophobicContact CG1-CD1 4.14Å; V449-I464 HydrophobicContact CG2-CD1 3.62Å; A452-I464 HydrophobicContact CB-CD1 3.79Å; A452-I464 HydrophobicContact CB-CG1 4.17Å; I464-D468 HydrophobicContact CG2-CB 3.93Å; I464-Y469 HydrophobicContact CG2-CD2 4.48Å; I464-L528 HydrophobicContact CD1-CB 3.77Å; I464-L528 HydrophobicContact CD1-CD1 4.29Å; I464-L528 HydrophobicContact CG1-CB 4.15Å; I464-L528 PolarHBondContact N-O 2.85Å; I464-L528 VanDerWaalsContact N-O 3.12Å; I464-S530 WeakPolarHBondContact O-CB 3.44Å | ||
| 465 | A | 81.5 | Confident | 76.9 | Confident | 31 Ų | 31 | 38.5 Ų | 38.5 | 26% | 0.256 | 22% | 0.217 | S | C | . | . | trans | -58 | 141.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D468 Y469 Y646 | A465-D468 WeakPolarHBondContact O-CB 3.42Å; A465-D468 PolarHBondContact O-N 3.43Å; A465-Y469 PolarHBondContact O-N 3.03Å; A465-Y646 HydrophobicContact CB-CD1 4.38Å; A465-Y646 HydrophobicContact CB-CE1 3.83Å | ||
| 466 | F | 83.2 | Confident | 76.5 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 2% | 0.022 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -48.8 | -45.5 | -178.8 | -176.9 | -82.9 | 0 | 0 | 0 | 114.6 | D468 Y469 H470 L472 L533 F583 V585 A588 L589 Y646 | F466-D468 VanDerWaalsContact C-N 3.3Å; F466-D468 PolarHBondContact O-N 2.97Å; F466-Y469 PolarHBondContact O-N 2.95Å; F466-H470 AromaticContact CD1-CD2 3.9Å; F466-H470 AromaticContact CD2-CD2 3.56Å; F466-H470 AromaticContact CD2-NE2 3.64Å; F466-H470 AromaticContact CE1-CD2 3.67Å; F466-H470 AromaticContact CE2-CD2 3.3Å; F466-H470 WeakPolarHBondContact CE2-CD2 3.27Å; F466-H470 AromaticContact CE2-NE2 3.14Å; F466-H470 WeakPolarHBondContact CE2-NE2 3.37Å; F466-H470 AromaticContact CG-CD2 3.85Å; F466-H470 AromaticContact CZ-CD2 3.36Å; F466-H470 WeakPolarHBondContact CZ-CD2 3.39Å; F466-H470 AromaticContact CZ-NE2 3.54Å; F466-H470 PolarHBondContact O-CD2 2.8Å; F466-H470 PolarHBondContact O-N 3.48Å; F466-L472 HydrophobicContact CE1-CD1 4.02Å; F466-L533 HydrophobicContact CE2-CD2 3.71Å; F466-L533 HydrophobicContact CE2-CG 4.03Å; F466-F583 AromaticContact CD1-CE1 3.71Å; F466-F583 HydrophobicContact CD1-CE1 3.71Å; F466-F583 HydrophobicContact CD1-CZ 4.15Å; F466-F583 HydrophobicContact CE1-CE1 4Å; F466-F583 HydrophobicContact CE1-CZ 4.25Å; F466-V585 HydrophobicContact CB-CG2 4.03Å; F466-V585 HydrophobicContact CD1-CB 4.45Å; F466-V585 HydrophobicContact CD1-CG1 4.2Å; F466-V585 HydrophobicContact CD1-CG2 3.84Å; F466-V585 HydrophobicContact CD2-CG1 4.03Å; F466-V585 HydrophobicContact CD2-CG2 4.43Å; F466-V585 HydrophobicContact CE1-CG1 4.07Å; F466-V585 HydrophobicContact CE1-CG2 4.43Å; F466-V585 HydrophobicContact CE2-CG1 3.89Å; F466-V585 HydrophobicContact CG-CG1 4.18Å; F466-V585 HydrophobicContact CG-CG2 3.85Å; F466-V585 HydrophobicContact CZ-CG1 3.92Å; F466-A588 HydrophobicContact CE1-CB 3.97Å; F466-L589 HydrophobicContact CZ-CD2 4.13Å; F466-L589 HydrophobicContact CZ-CG 4.42Å; F466-Y646 HydrophobicContact CB-CE2 3.96Å; F466-Y646 VanDerWaalsContact CB-OH 3.24Å; F466-Y646 WeakPolarHBondContact CB-OH 3.34Å; F466-Y646 PolarHBondContact N-OH 3.36Å; F466-Y646 VanDerWaalsContact N-OH 3.12Å |
| 467 | P | 84.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.3 | -36.4 | -178.7 | -20.1 | 33.7 | 0 | 0 | 0 | 112.8 | G471 L472 F583 W595 Y646 | P467-G471 PolarHBondContact O-N 3.07Å; P467-L472 PolarHBondContact O-N 2.77Å; P467-F583 HydrophobicContact CB-CD1 4.3Å; P467-F583 HydrophobicContact CB-CD2 3.78Å; P467-F583 HydrophobicContact CB-CE1 4.3Å; P467-F583 HydrophobicContact CB-CE2 3.77Å; P467-F583 HydrophobicContact CB-CG 4.04Å; P467-F583 HydrophobicContact CB-CZ 4.04Å; P467-F583 HydrophobicContact CG-CB 4.1Å; P467-F583 HydrophobicContact CG-CD1 3.57Å; P467-F583 HydrophobicContact CG-CD2 3.86Å; P467-F583 HydrophobicContact CG-CE1 3.87Å; P467-F583 HydrophobicContact CG-CE2 4.12Å; P467-F583 HydrophobicContact CG-CG 3.57Å; P467-F583 HydrophobicContact CG-CZ 4.12Å; P467-W595 HydrophobicContact CB-CZ2 4.07Å; P467-W595 HydrophobicContact CG-CZ2 3.94Å; P467-Y646 HydrophobicContact CG-CD2 3.68Å; P467-Y646 HydrophobicContact CG-CE2 3.89Å; P467-Y646 HydrophobicContact CG-CG 4.15Å |
| 468 | D | 85.1 | Confident | 76.6 | Confident | 20 Ų | 20 | 42.5 Ų | 42.5 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.5 | -45.4 | 176.2 | -79.2 | -62.9 | 0 | 0 | 0 | 110.7 | Y443 Y448 I464 A465 F466 H470 G471 Y473 T654 | Y443-D468 VanDerWaalsContact CE2-O 3.24Å; Y443-D468 WeakPolarHBondContact CE2-O 3.39Å; Y443-D468 PolarHBondContact OH-O 3.36Å; Y448-D468 HydrophobicContact CE1-CB 3.9Å; Y448-D468 HydrophobicContact CE2-CB 4.42Å; Y448-D468 WeakPolarHBondContact OH-CB 3.49Å; Y448-D468 PolarHBondContact OH-OD1 2.79Å; I464-D468 HydrophobicContact CG2-CB 3.93Å; A465-D468 WeakPolarHBondContact O-CB 3.42Å; A465-D468 PolarHBondContact O-N 3.43Å; F466-D468 VanDerWaalsContact C-N 3.3Å; F466-D468 PolarHBondContact O-N 2.97Å; D468-H470 VanDerWaalsContact C-N 3.33Å; D468-H470 PolarHBondContact O-N 3.4Å; D468-G471 PolarHBondContact O-N 3.35Å; D468-Y473 PolarHBondContact OD1-OH 3.29Å; D468-T654 WeakPolarHBondContact OD1-CG2 3.21Å |
| 469 | Y | 78.1 | Confident | 77.2 | Confident | 23 Ų | 23 | 42.7 Ų | 42.7 | 9% | 0.09 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 179.6 | -176.2 | -96.3 | 0 | 0 | 0 | 111.6 | W445 V449 I464 A465 F466 L529 | W445-Y469 HydrophobicContact CB-CD1 4.46Å; W445-Y469 HydrophobicContact CB-CE1 4.34Å; W445-Y469 HydrophobicContact CB-CE2 4.41Å; W445-Y469 WeakPolarHBondContact CB-O 3.4Å; W445-Y469 HydrophobicContact CD2-CE1 4.24Å; W445-Y469 AromaticContact CD2-CE2 3.95Å; W445-Y469 HydrophobicContact CD2-CE2 3.95Å; W445-Y469 AromaticContact CD2-CZ 3.6Å; W445-Y469 HydrophobicContact CE3-CD2 4.34Å; W445-Y469 HydrophobicContact CE3-CE1 4.43Å; W445-Y469 AromaticContact CE3-CE2 3.34Å; W445-Y469 HydrophobicContact CE3-CE2 3.34Å; W445-Y469 AromaticContact CE3-CZ 3.42Å; W445-Y469 VanDerWaalsContact CE3-CZ 3.42Å; W445-Y469 HydrophobicContact CG-CE1 4.22Å; W445-Y469 HydrophobicContact CG-CE2 4.43Å; W445-Y469 WeakPolarHBondContact CH2-OH 3.46Å; W445-Y469 AromaticContact CZ3-CE2 3.84Å; W445-Y469 HydrophobicContact CZ3-CE2 3.84Å; W445-Y469 AromaticContact CZ3-CZ 3.88Å; W445-Y469 VanDerWaalsContact CZ3-OH 3.26Å; W445-Y469 WeakPolarHBondContact CZ3-OH 3.16Å; V449-Y469 HydrophobicContact CG2-CD2 4.05Å; V449-Y469 HydrophobicContact CG2-CE2 3.84Å; I464-Y469 HydrophobicContact CG2-CD2 4.48Å; A465-Y469 PolarHBondContact O-N 3.03Å; F466-Y469 PolarHBondContact O-N 2.95Å; Y469-L529 HydrophobicContact CE2-CD2 3.73Å |
| 470 | H | 75.3 | Confident | 78.3 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 12% | 0.12 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.5 | -178.3 | -69.7 | -80.2 | 0 | 0 | 0 | 114.6 | V441 F466 D468 L472 | V441-H470 WeakPolarHBondContact CG1-O 3.09Å; F466-H470 AromaticContact CD1-CD2 3.9Å; F466-H470 AromaticContact CD2-CD2 3.56Å; F466-H470 AromaticContact CD2-NE2 3.64Å; F466-H470 AromaticContact CE1-CD2 3.67Å; F466-H470 AromaticContact CE2-CD2 3.3Å; F466-H470 WeakPolarHBondContact CE2-CD2 3.27Å; F466-H470 AromaticContact CE2-NE2 3.14Å; F466-H470 WeakPolarHBondContact CE2-NE2 3.37Å; F466-H470 AromaticContact CG-CD2 3.85Å; F466-H470 AromaticContact CZ-CD2 3.36Å; F466-H470 WeakPolarHBondContact CZ-CD2 3.39Å; F466-H470 AromaticContact CZ-NE2 3.54Å; F466-H470 PolarHBondContact O-CD2 2.8Å; F466-H470 PolarHBondContact O-N 3.48Å; D468-H470 VanDerWaalsContact C-N 3.33Å; D468-H470 PolarHBondContact O-N 3.4Å; H470-L472 VanDerWaalsContact C-N 3.26Å; H470-L472 HydrophobicContact CB-CD1 3.51Å; H470-L472 HydrophobicContact CB-CD2 4.37Å; H470-L472 HydrophobicContact CB-CG 3.53Å; H470-L472 PolarHBondContact O-N 3.12Å |
| 471 | G | 73.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 33.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | W442 Y443 P467 D468 Y473 | W442-G471 PolarHBondContact N-O 2.85Å; Y443-G471 VanDerWaalsContact CZ-CA 3.44Å; P467-G471 PolarHBondContact O-N 3.07Å; D468-G471 PolarHBondContact O-N 3.35Å; G471-Y473 PolarHBondContact O-N 3.47Å |
| 472 | L | 68.8 | Low | 80.9 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | trans | -89.6 | 83.8 | -169 | -67.3 | 173.6 | 0 | 0 | 0 | 112 | P438 F466 P467 H470 P474 F583 A588 P593 | P438-L472 HydrophobicContact CB-CD2 4.01Å; P438-L472 HydrophobicContact CG-CD2 4.17Å; F466-L472 HydrophobicContact CE1-CD1 4.02Å; P467-L472 PolarHBondContact O-N 2.77Å; H470-L472 VanDerWaalsContact C-N 3.26Å; H470-L472 HydrophobicContact CB-CD1 3.51Å; H470-L472 HydrophobicContact CB-CD2 4.37Å; H470-L472 HydrophobicContact CB-CG 3.53Å; H470-L472 PolarHBondContact O-N 3.12Å; L472-P474 WeakPolarHBondContact O-CD 3.03Å; L472-F583 HydrophobicContact CB-CE2 4.03Å; L472-F583 HydrophobicContact CB-CZ 4.17Å; L472-F583 HydrophobicContact CD1-CZ 3.89Å; L472-A588 HydrophobicContact CD1-CB 4.1Å; L472-P593 HydrophobicContact CB-CB 4.01Å; L472-P593 HydrophobicContact CD1-CB 3.88Å; L472-P593 HydrophobicContact CD2-CB 3.81Å; L472-P593 HydrophobicContact CD2-CG 4.1Å; L472-P593 HydrophobicContact CG-CB 4.09Å | ||
| 473 | Y | 71.5 | Confident | 81.8 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | trans | -121.4 | 65.2 | 174 | -67 | -87.5 | 0 | 0 | 0 | 112.2 | W442 D468 G471 W595 P652 M657 W726 | W442-Y473 PolarHBondContact NE1-O 3.38Å; D468-Y473 PolarHBondContact OD1-OH 3.29Å; G471-Y473 PolarHBondContact O-N 3.47Å; Y473-W595 AromaticContact CD1-CD1 3.98Å; Y473-W595 AromaticContact CE1-CD1 3.81Å; Y473-W595 AromaticContact CE1-NE1 3.78Å; Y473-P652 WeakPolarHBondContact CE1-O 3.32Å; Y473-P652 PolarHBondContact OH-O 3.24Å; Y473-M657 HydrophobicContact CD2-CE 3.91Å; Y473-M657 HydrophobicContact CD2-SD 4.33Å; Y473-M657 HydrophobicContact CE2-CE 4Å; Y473-M657 HydrophobicContact CE2-SD 3.79Å; Y473-M657 HydrophobicContact CG-CE 4.34Å; Y473-W726 AromaticContact CD1-CH2 3.35Å; Y473-W726 HydrophobicContact CD1-CH2 3.35Å; Y473-W726 AromaticContact CD1-CZ2 3.56Å; Y473-W726 HydrophobicContact CD1-CZ2 3.56Å; Y473-W726 HydrophobicContact CD2-CH2 4.49Å; Y473-W726 AromaticContact CE1-CH2 3.83Å; Y473-W726 HydrophobicContact CE1-CH2 3.83Å; Y473-W726 AromaticContact CE1-CZ2 3.64Å; Y473-W726 HydrophobicContact CE1-CZ2 3.64Å; Y473-W726 AromaticContact CG-CH2 3.71Å; Y473-W726 HydrophobicContact CG-CH2 3.71Å; Y473-W726 HydrophobicContact CG-CZ2 4.36Å | ||
| 474 | P | 63.9 | Low | 82.3 | Confident | 22 Ų | 22 | 46 Ų | 46 | 14% | 0.143 | 23% | 0.225 | C | C | . | . | trans | -69.7 | 155.6 | -176.8 | 26.2 | -29.3 | 0 | 0 | 0 | 112.4 | L472 L476 P593 | L472-P474 WeakPolarHBondContact O-CD 3.03Å; P474-L476 VanDerWaalsContact C-N 3.28Å; P474-L476 HydrophobicContact CG-CD2 4.41Å; P474-L476 HydrophobicContact CG-CG 4.44Å; P474-L476 PolarHBondContact O-N 3.24Å; P474-P593 HydrophobicContact CG-CB 4.35Å; P474-P593 HydrophobicContact CG-CG 4.21Å; P474-P593 WeakPolarHBondContact CG-O 3.48Å | ||
| 475 | N | 71.7 | Confident | 82 | Confident | 107 Ų | 107 | 47.3 Ų | 47.3 | 57% | 0.572 | 23% | 0.234 | S | C | * | . | trans | -74.5 | 79 | 176.6 | -71 | -35 | 0 | 0 | 0 | 110.7 | ||||
| 476 | L | 82.5 | Confident | 81.8 | Confident | 56 Ų | 56 | 46.5 Ų | 46.5 | 29% | 0.293 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -70.3 | 146.8 | 176.2 | -62.7 | 173.2 | 0 | 0 | 0 | 111.3 | P474 W595 V596 | P474-L476 VanDerWaalsContact C-N 3.28Å; P474-L476 HydrophobicContact CG-CD2 4.41Å; P474-L476 HydrophobicContact CG-CG 4.44Å; P474-L476 PolarHBondContact O-N 3.24Å; L476-W595 WeakPolarHBondContact CD1-O 3.49Å; L476-V596 HydrophobicContact CD1-CG1 3.73Å |
| 477 | S | 87.7 | Confident | 81.8 | Confident | 101 Ų | 101 | 46.7 Ų | 46.7 | 71% | 0.706 | 23% | 0.227 | S | C | * | . | P | Polyproline II helix | trans | -66.5 | 151.4 | 175.3 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | Q479 | S477-Q479 PolarHBondContact O-N 3.33Š|
| 478 | R | 93 | Very high | 81.8 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 27% | 0.268 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 130.5 | 176.7 | -67 | -179.1 | -172.9 | 100.2 | -1.5 | 110.1 | Y906 Y909 T912 D915 | R478-Y906 VanDerWaalsContact CZ-CE1 3.5Å; R478-Y906 VanDerWaalsContact NH2-CZ 3.29Å; R478-Y909 HydrophobicContact CB-CD1 3.8Å; R478-Y909 HydrophobicContact CB-CG 4.14Å; R478-T912 HydrophobicContact CB-CG2 4.38Å; R478-T912 HydrophobicContact CG-CG2 3.86Å; R478-D915 IonicContact CZ-OD1 2.64Å; R478-D915 IonicContact NE-OD1 3.49Å; R478-D915 PolarHBondContact NE-OD1 3.47Å; R478-D915 IonicContact NE-OD2 3.56Å; R478-D915 PolarHBondContact NE-OD2 2.88Å; R478-D915 IonicContact NH2-OD1 3.6Å; R478-D915 PolarHBondContact NH2-OD1 2.81Å |
| 479 | Q | 95.8 | Very high | 81.6 | Confident | 53 Ų | 53 | 46.3 Ų | 46.3 | 25% | 0.248 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -97.9 | 148.9 | 174 | -58.6 | -170.6 | 12.8 | 0 | 0 | 110.5 | S477 R597 Y909 Q910 | S477-Q479 PolarHBondContact O-N 3.33Å; Q479-R597 VanDerWaalsContact OE1-CB 3.31Å; Q479-R597 PolarHBondContact OE1-O 2.69Å; Q479-Y909 CarbonylContact O-C 3.57Å; Q479-Y909 WeakPolarHBondContact O-CA 3.24Å; Q479-Q910 WeakPolarHBondContact O-CB 3.38Å; Q479-Q910 PolarHBondContact O-N 3.33Å |
| 480 | R | 96.8 | Very high | 81.7 | Confident | 139 Ų | 139 | 52 Ų | 52 | 53% | 0.525 | 25% | 0.25 | S | C | . | . | B | Isolated β-bridge | trans | -65.8 | 147.2 | 175.1 | -70.8 | -73.2 | -169.6 | 178.2 | 3.9 | 111.3 | E907 G908 Y909 Q910 | R480-E907 PolarHBondContact NH1-O 2.72Å; R480-G908 WeakPolarHBondContact CA-O 3.19Å; R480-Y909 HydrophobicContact CG-CD1 4.33Å; R480-Y909 HydrophobicContact CG-CE1 4.06Å; R480-Y909 PolarHBondContact NE-OH 2.96Å; R480-Y909 PolarHBondContact NH2-OH 2.91Å; R480-Q910 PolarHBondContact O-NE2 3.31Å |
| 481 | L | 95.6 | Very high | 82 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 138 | 164.4 | -73 | 165 | 0 | 0 | 0 | 109 | G577 K821 A899 G908 Q910 | L481-G577 WeakPolarHBondContact CD2-O 3.41Å; L481-K821 HydrophobicContact CD1-CD 4.4Å; L481-A899 HydrophobicContact CD2-CB 4.18Å; L481-G908 PolarHBondContact N-O 3.45Å; L481-Q910 HydrophobicContact CD2-CG 3.52Å; L481-Q910 HydrophobicContact CG-CG 3.94Å |
| 482 | K | 91.9 | Very high | 82.5 | Confident | 86 Ų | 86 | 52.3 Ų | 52.3 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | trans | -119.8 | 97.6 | -177.9 | -62.2 | -169.2 | -171.2 | 177.9 | 0 | 111.3 | Y484 G577 | K482-Y484 HydrophobicContact CB-CE2 3.68Å; K482-Y484 WeakPolarHBondContact CD-OH 3.41Å; K482-Y484 VanDerWaalsContact O-CD2 3.25Å; K482-Y484 WeakPolarHBondContact O-CD2 3.34Å; K482-Y484 VanDerWaalsContact O-CE2 3.27Å; K482-Y484 WeakPolarHBondContact O-CE2 3.25Å; K482-G577 PolarHBondContact N-O 2.98Å; K482-G577 VanDerWaalsContact O-CA 3.29Å; K482-G577 WeakPolarHBondContact O-CA 3.45Å | ||
| 483 | F | 85 | Confident | 83 | Confident | 121 Ų | 121 | 55 Ų | 55 | 53% | 0.531 | 26% | 0.264 | S | S | . | . | trans | -87.2 | 131.8 | -179 | -177.7 | -122.1 | 0 | 0 | 0 | 111.2 | P485 N575 | F483-P485 HydrophobicContact CD1-CB 4.26Å; F483-P485 HydrophobicContact CD1-CG 3.93Å; F483-P485 HydrophobicContact CE1-CB 3.5Å; F483-P485 VanDerWaalsContact CE1-CB 3.5Å; F483-P485 HydrophobicContact CE1-CG 3.61Å; F483-P485 HydrophobicContact CZ-CB 3.73Å; F483-P485 HydrophobicContact CZ-CG 4.31Å; F483-P485 WeakPolarHBondContact O-CD 3.5Å; F483-N575 WeakPolarHBondContact CD2-O 3.43Å; F483-N575 WeakPolarHBondContact CE2-O 3.42Å | ||
| 484 | Y | 83.9 | Confident | 83.5 | Confident | 57 Ų | 57 | 58.2 Ų | 58.2 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | trans | -125.2 | 73.4 | -178.5 | -57.9 | -82.4 | 0 | 0 | 0 | 111.1 | K482 N486 T487 R600 C602 | K482-Y484 HydrophobicContact CB-CE2 3.68Å; K482-Y484 WeakPolarHBondContact CD-OH 3.41Å; K482-Y484 VanDerWaalsContact O-CD2 3.25Å; K482-Y484 WeakPolarHBondContact O-CD2 3.34Å; K482-Y484 VanDerWaalsContact O-CE2 3.27Å; K482-Y484 WeakPolarHBondContact O-CE2 3.25Å; Y484-N486 PolarHBondContact O-N 3.06Å; Y484-N486 VanDerWaalsContact O-N 3.15Å; Y484-T487 WeakPolarHBondContact CB-OG1 3.24Å; Y484-T487 PolarHBondContact O-N 3.23Å; Y484-T487 VanDerWaalsContact O-N 3.15Å; Y484-T487 PolarHBondContact O-OG1 2.65Å; Y484-R600 HydrophobicContact CE1-CB 4.45Å; Y484-C602 HydrophobicContact CD2-CB 4.3Å | ||
| 485 | P | 72.7 | Confident | 84.4 | Confident | 35 Ų | 35 | 57.6 Ų | 57.6 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -37.7 | -169.4 | 10 | -20.3 | 0 | 0 | 0 | 114.2 | S258 F483 | S258-P485 WeakPolarHBondContact OG-CB 3.09Å; F483-P485 HydrophobicContact CD1-CB 4.26Å; F483-P485 HydrophobicContact CD1-CG 3.93Å; F483-P485 HydrophobicContact CE1-CB 3.5Å; F483-P485 VanDerWaalsContact CE1-CB 3.5Å; F483-P485 HydrophobicContact CE1-CG 3.61Å; F483-P485 HydrophobicContact CZ-CB 3.73Å; F483-P485 HydrophobicContact CZ-CG 4.31Å; F483-P485 WeakPolarHBondContact O-CD 3.5Å |
| 486 | N | 78 | Confident | 84.9 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 13.7 | -172.5 | -55.9 | -33.6 | 0 | 0 | 0 | 112.7 | F247 Y484 L489 K490 | F247-N486 WeakPolarHBondContact CZ-ND2 3.33Å; Y484-N486 PolarHBondContact O-N 3.06Å; Y484-N486 VanDerWaalsContact O-N 3.15Å; N486-L489 HydrophobicContact CB-CD2 4.47Å; N486-L489 WeakPolarHBondContact O-CB 3.21Å; N486-K490 WeakPolarHBondContact O-CG 3.46Å; N486-K490 PolarHBondContact O-N 3.3Å |
| 487 | T | 83.7 | Confident | 84.8 | Confident | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 179.1 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | Y484 L489 K490 M491 S601 V603 | Y484-T487 WeakPolarHBondContact CB-OG1 3.24Å; Y484-T487 PolarHBondContact O-N 3.23Å; Y484-T487 VanDerWaalsContact O-N 3.15Å; Y484-T487 PolarHBondContact O-OG1 2.65Å; T487-L489 PolarHBondContact O-N 3.44Å; T487-K490 PolarHBondContact O-N 2.76Å; T487-K490 VanDerWaalsContact O-N 3.11Å; T487-M491 HydrophobicContact CG2-CG 4.31Å; T487-M491 HydrophobicContact CG2-SD 3.99Å; T487-M491 WeakPolarHBondContact O-CG 3.25Å; T487-M491 PolarHBondContact O-N 2.83Å; T487-S601 WeakPolarHBondContact CG2-O 3.27Å; T487-V603 HydrophobicContact CG2-CB 3.8Å; T487-V603 HydrophobicContact CG2-CG1 3.53Å |
| 488 | L | 83.8 | Confident | 84.5 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.5 | -39.2 | -178 | -170.2 | 58 | 0 | 0 | 0 | 111.1 | L269 M491 L492 V603 Y605 | L269-L488 HydrophobicContact CD1-CD1 3.62Å; L269-L488 HydrophobicContact CD1-CD2 4.16Å; L269-L488 HydrophobicContact CD1-CG 4.13Å; L488-M491 CarbonylContact O-C 3.52Å; L488-M491 PolarHBondContact O-N 2.75Å; L488-M491 VanDerWaalsContact O-N 3.17Å; L488-L492 PolarHBondContact O-N 2.78Å; L488-L492 VanDerWaalsContact O-N 3.1Å; L488-V603 HydrophobicContact CB-CG2 4.02Å; L488-V603 HydrophobicContact CD1-CG2 4.36Å; L488-Y605 HydrophobicContact CD1-CD1 3.56Å; L488-Y605 HydrophobicContact CD1-CD2 3.93Å; L488-Y605 HydrophobicContact CD1-CE1 4.2Å; L488-Y605 HydrophobicContact CD1-CG 3.4Å |
| 489 | L | 80 | Confident | 83.8 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.5 | -53.3 | 174.9 | -171 | 71.6 | 0 | 0 | 0 | 111.7 | V244 F247 Y261 S265 N486 T487 M491 L492 | V244-L489 HydrophobicContact CB-CD1 3.7Å; V244-L489 HydrophobicContact CG1-CD1 3.19Å; V244-L489 HydrophobicContact CG1-CD2 4.42Å; V244-L489 HydrophobicContact CG1-CG 3.68Å; V244-L489 HydrophobicContact CG2-CD1 3.22Å; F247-L489 HydrophobicContact CB-CD2 4.3Å; F247-L489 HydrophobicContact CD1-CD2 3.86Å; F247-L489 HydrophobicContact CE1-CD2 4.33Å; F247-L489 HydrophobicContact CG-CD2 4.01Å; Y261-L489 HydrophobicContact CD1-CD1 3.69Å; Y261-L489 HydrophobicContact CD1-CD2 3.81Å; Y261-L489 HydrophobicContact CD1-CG 4.42Å; Y261-L489 HydrophobicContact CE1-CD2 4.49Å; Y261-L489 HydrophobicContact CG-CD1 4.19Å; Y261-L489 HydrophobicContact CG-CD2 3.94Å; S265-L489 WeakPolarHBondContact OG-CA 3.47Å; N486-L489 HydrophobicContact CB-CD2 4.47Å; N486-L489 WeakPolarHBondContact O-CB 3.21Å; T487-L489 PolarHBondContact O-N 3.44Å; L489-M491 PolarHBondContact O-N 3.05Å; L489-L492 WeakPolarHBondContact O-CB 3.36Å; L489-L492 PolarHBondContact O-N 3.24Å; L489-L492 VanDerWaalsContact O-N 3.1Å |
| 490 | K | 81.1 | Confident | 83 | Confident | 141 Ų | 141 | 54.2 Ų | 54.2 | 61% | 0.613 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -64.7 | -23.4 | 179.1 | -66.3 | 177.1 | -179 | -174.8 | 0 | 113 | N486 T487 | N486-K490 WeakPolarHBondContact O-CG 3.46Å; N486-K490 PolarHBondContact O-N 3.3Å; T487-K490 PolarHBondContact O-N 2.76Å; T487-K490 VanDerWaalsContact O-N 3.11Å |
| 491 | M | 82.4 | Confident | 82.1 | Confident | 30 Ų | 30 | 49.8 Ų | 49.8 | 15% | 0.148 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -88.1 | -10.2 | 177.4 | -72.7 | -173.7 | 56 | 0 | 0 | 113.5 | T487 L488 L489 P494 L495 V603 Y605 | T487-M491 HydrophobicContact CG2-CG 4.31Å; T487-M491 HydrophobicContact CG2-SD 3.99Å; T487-M491 WeakPolarHBondContact O-CG 3.25Å; T487-M491 PolarHBondContact O-N 2.83Å; L488-M491 CarbonylContact O-C 3.52Å; L488-M491 PolarHBondContact O-N 2.75Å; L488-M491 VanDerWaalsContact O-N 3.17Å; L489-M491 PolarHBondContact O-N 3.05Å; M491-P494 WeakPolarHBondContact O-CD 3.42Å; M491-L495 HydrophobicContact CB-CD1 4.19Å; M491-L495 HydrophobicContact CE-CD1 4.34Å; M491-L495 WeakPolarHBondContact O-CB 3.46Å; M491-L495 VanDerWaalsContact O-CD1 3.26Å; M491-L495 WeakPolarHBondContact O-CD1 3.26Å; M491-L495 WeakPolarHBondContact O-CG 3.34Å; M491-L495 PolarHBondContact O-N 3.23Å; M491-V603 HydrophobicContact SD-CG1 3.57Å; M491-V603 VanDerWaalsContact SD-CG1 3.57Å; M491-Y605 HydrophobicContact CE-CE1 3.62Å; M491-Y605 WeakPolarHBondContact CE-OH 3.47Å; M491-Y605 HydrophobicContact SD-CE1 4.32Å |
| 492 | L | 82.2 | Confident | 80.6 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.7 | -49.5 | -172.2 | -175 | 64.3 | 0 | 0 | 0 | 112.1 | C268 L269 L488 L489 L495 I496 | C268-L492 HydrophobicContact CB-CD1 3.63Å; C268-L492 HydrophobicContact CB-CD2 3.91Å; C268-L492 HydrophobicContact CB-CG 4.37Å; L269-L492 HydrophobicContact CD2-CD1 4.23Å; L269-L492 HydrophobicContact CG-CD1 4.09Å; L488-L492 PolarHBondContact O-N 2.78Å; L488-L492 VanDerWaalsContact O-N 3.1Å; L489-L492 WeakPolarHBondContact O-CB 3.36Å; L489-L492 PolarHBondContact O-N 3.24Å; L489-L492 VanDerWaalsContact O-N 3.1Å; L492-L495 WeakPolarHBondContact O-CB 3.25Å; L492-L495 PolarHBondContact O-N 3.17Å; L492-L495 VanDerWaalsContact O-N 3.12Å; L492-I496 HydrophobicContact CD1-CD1 4.09Å; L492-I496 HydrophobicContact CD1-CG1 4.28Å; L492-I496 HydrophobicContact CD2-CD1 4.36Å; L492-I496 HydrophobicContact CG-CD1 3.8Å; L492-I496 HydrophobicContact CG-CG1 4.36Å; L492-I496 WeakPolarHBondContact O-CG1 3.46Å; L492-I496 PolarHBondContact O-N 3.33Å |
| 493 | E | 80.8 | Confident | 79.2 | Confident | 58 Ų | 58 | 59 Ų | 59 | 27% | 0.271 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.8 | -53.3 | -179.2 | -162.8 | 86 | 158.8 | 0 | 0 | 111.5 | R241 K245 L495 I496 D497 | R241-E493 IonicContact CZ-OE1 3.92Å; R241-E493 VanDerWaalsContact CZ-OE1 3.22Å; R241-E493 IonicContact CZ-OE2 2.98Å; R241-E493 IonicContact NE-OE1 3.78Å; R241-E493 PolarHBondContact NE-OE1 3.36Å; R241-E493 IonicContact NE-OE2 3.45Å; R241-E493 PolarHBondContact NE-OE2 3.29Å; R241-E493 IonicContact NH2-OE1 3.76Å; R241-E493 PolarHBondContact NH2-OE1 2.99Å; R241-E493 IonicContact NH2-OE2 3.22Å; R241-E493 PolarHBondContact NH2-OE2 3.11Å; K245-E493 WeakPolarHBondContact CE-OE1 3.41Å; K245-E493 IonicContact NZ-OE1 3.1Å; K245-E493 PolarHBondContact NZ-OE1 3.35Å; E493-L495 PolarHBondContact O-N 3.5Å; E493-L495 VanDerWaalsContact O-N 3.12Å; E493-I496 PolarHBondContact O-N 3.02Å; E493-I496 VanDerWaalsContact O-N 3.09Å; E493-D497 VanDerWaalsContact O-CG 3.23Å; E493-D497 PolarHBondContact O-N 2.88Å |
| 494 | P | 82.1 | Confident | 78.3 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64 | -23.1 | 179 | -21.3 | 34.8 | 0 | 0 | 0 | 114.2 | M491 R498 | M491-P494 WeakPolarHBondContact O-CD 3.42Å; P494-R498 WeakPolarHBondContact O-CB 3.46Å; P494-R498 PolarHBondContact O-N 3.39Å |
| 495 | L | 82.9 | Confident | 77.5 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -78.5 | -39 | 175.5 | -72.1 | 169.6 | 0 | 0 | 0 | 111.5 | L269 M491 L492 E493 R498 V499 Y605 F608 | L269-L495 HydrophobicContact CD2-CB 4.48Å; L269-L495 HydrophobicContact CD2-CD1 3.84Å; M491-L495 HydrophobicContact CB-CD1 4.19Å; M491-L495 HydrophobicContact CE-CD1 4.34Å; M491-L495 WeakPolarHBondContact O-CB 3.46Å; M491-L495 VanDerWaalsContact O-CD1 3.26Å; M491-L495 WeakPolarHBondContact O-CD1 3.26Å; M491-L495 WeakPolarHBondContact O-CG 3.34Å; M491-L495 PolarHBondContact O-N 3.23Å; L492-L495 WeakPolarHBondContact O-CB 3.25Å; L492-L495 PolarHBondContact O-N 3.17Å; L492-L495 VanDerWaalsContact O-N 3.12Å; E493-L495 PolarHBondContact O-N 3.5Å; E493-L495 VanDerWaalsContact O-N 3.12Å; L495-R498 PolarHBondContact O-N 2.52Å; L495-V499 WeakPolarHBondContact O-CG2 3.48Å; L495-V499 PolarHBondContact O-N 3.42Å; L495-Y605 HydrophobicContact CD1-CE2 3.68Å; L495-Y605 WeakPolarHBondContact CD1-OH 3.26Å; L495-F608 HydrophobicContact CD2-CE1 4.2Å |
| 496 | I | 80.5 | Confident | 77.5 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.062 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.4 | -51.6 | 174.3 | -68 | 172.7 | 0 | 0 | 0 | 109.3 | L272 L492 E493 R498 V499 E500 | L272-I496 HydrophobicContact CD2-CG1 4.17Å; L492-I496 HydrophobicContact CD1-CD1 4.09Å; L492-I496 HydrophobicContact CD1-CG1 4.28Å; L492-I496 HydrophobicContact CD2-CD1 4.36Å; L492-I496 HydrophobicContact CG-CD1 3.8Å; L492-I496 HydrophobicContact CG-CG1 4.36Å; L492-I496 WeakPolarHBondContact O-CG1 3.46Å; L492-I496 PolarHBondContact O-N 3.33Å; E493-I496 PolarHBondContact O-N 3.02Å; E493-I496 VanDerWaalsContact O-N 3.09Å; I496-R498 PolarHBondContact O-N 3.19Å; I496-R498 VanDerWaalsContact O-N 3.13Å; I496-V499 WeakPolarHBondContact O-CA 3.37Å; I496-V499 PolarHBondContact O-N 3.5Å; I496-E500 HydrophobicContact CG2-CG 4.18Å; I496-E500 WeakPolarHBondContact CG2-OE1 3.23Å; I496-E500 PolarHBondContact O-N 2.93Å |
| 497 | D | 82.1 | Confident | 77.5 | Confident | 74 Ų | 74 | 68.8 Ų | 68.8 | 40% | 0.396 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -55.6 | -36.7 | 179 | -62.1 | -18.3 | 0 | 0 | 0 | 111.2 | R241 E493 A501 | R241-D497 IonicContact NH2-OD1 3.22Å; E493-D497 VanDerWaalsContact O-CG 3.23Å; E493-D497 PolarHBondContact O-N 2.88Å; D497-A501 WeakPolarHBondContact O-CB 3.45Å; D497-A501 PolarHBondContact O-N 2.88Å |
| 498 | R | 79.6 | Confident | 77.1 | Confident | 71 Ų | 71 | 73.4 Ų | 73.4 | 27% | 0.268 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.4 | -35 | 175.7 | -179.1 | -180 | -62.7 | 177.5 | 2.2 | 113.5 | P494 L495 I496 F504 | P494-R498 WeakPolarHBondContact O-CB 3.46Å; P494-R498 PolarHBondContact O-N 3.39Å; L495-R498 PolarHBondContact O-N 2.52Å; I496-R498 PolarHBondContact O-N 3.19Å; I496-R498 VanDerWaalsContact O-N 3.13Å; R498-F504 HydrophobicContact CG-CB 4.23Å; R498-F504 HydrophobicContact CG-CD2 4.02Å; R498-F504 HydrophobicContact CG-CG 4.14Å |
| 499 | V | 79.5 | Confident | 76.6 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 18% | 0.176 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -76.9 | -35.9 | 178.7 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | L272 P273 L495 I496 F608 | L272-V499 HydrophobicContact CD1-CG2 4.28Å; P273-V499 HydrophobicContact CG-CG1 3.49Å; P273-V499 VanDerWaalsContact CG-CG1 3.49Å; L495-V499 WeakPolarHBondContact O-CG2 3.48Å; L495-V499 PolarHBondContact O-N 3.42Å; I496-V499 WeakPolarHBondContact O-CA 3.37Å; I496-V499 PolarHBondContact O-N 3.5Å; V499-F608 HydrophobicContact CG2-CD1 3.52Å; V499-F608 HydrophobicContact CG2-CD2 3.73Å; V499-F608 HydrophobicContact CG2-CE1 3.42Å; V499-F608 VanDerWaalsContact CG2-CE1 3.42Å; V499-F608 HydrophobicContact CG2-CE2 3.64Å; V499-F608 HydrophobicContact CG2-CG 3.68Å; V499-F608 HydrophobicContact CG2-CZ 3.48Å; V499-F608 VanDerWaalsContact CG2-CZ 3.48Å |
| 500 | E | 78.3 | Confident | 76.2 | Confident | 130 Ų | 130 | 79.1 Ų | 79.1 | 61% | 0.607 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -76.6 | -29.3 | 177.9 | -68.2 | 178.4 | 170.6 | 0 | 0 | 112.5 | I496 E502 | I496-E500 HydrophobicContact CG2-CG 4.18Å; I496-E500 WeakPolarHBondContact CG2-OE1 3.23Å; I496-E500 PolarHBondContact O-N 2.93Å; E500-E502 PolarHBondContact O-N 3.24Å |
| 501 | A | 78.8 | Confident | 75.9 | Confident | 47 Ų | 47 | 75.1 Ų | 75.1 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -67.2 | 118.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D497 S503 | D497-A501 WeakPolarHBondContact O-CB 3.45Å; D497-A501 PolarHBondContact O-N 2.88Å; A501-S503 PolarHBondContact O-N 3.18Å; A501-S503 VanDerWaalsContact O-N 3.16Å |
| 502 | E | 63.4 | Low | 75.4 | Confident | 211 Ų | 211 | 78.1 Ų | 78.1 | 99% | 0.986 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -57.9 | -29.1 | 177 | -69.4 | -174 | 163.3 | 0 | 0 | 113.1 | E500 | E500-E502 PolarHBondContact O-N 3.24Š|
| 503 | S | 62.7 | Low | 74.9 | Confident | 98 Ų | 98 | 80.6 Ų | 80.6 | 69% | 0.685 | 44% | 0.437 | S | S | * | . | trans | -139.3 | 111.4 | 170.5 | 64.2 | 0 | 0 | 0 | 0 | 111 | A501 | A501-S503 PolarHBondContact O-N 3.18Å; A501-S503 VanDerWaalsContact O-N 3.16Å | ||
| 504 | F | 66.3 | Low | 74.4 | Confident | 114 Ų | 114 | 79.4 Ų | 79.4 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | trans | -83.9 | 118 | 159.1 | -172.8 | -93.5 | 0 | 0 | 0 | 106.9 | R498 A506 | R498-F504 HydrophobicContact CG-CB 4.23Å; R498-F504 HydrophobicContact CG-CD2 4.02Å; R498-F504 HydrophobicContact CG-CG 4.14Å; F504-A506 VanDerWaalsContact C-N 3.33Å; F504-A506 PolarHBondContact O-N 2.87Å | ||
| 505 | P | 67 | Low | 73.4 | Confident | 111 Ų | 111 | 79.7 Ų | 79.7 | 72% | 0.721 | 43% | 0.434 | S | S | * | . | trans | -65.2 | 93.6 | -178 | 25.3 | -32.7 | 0 | 0 | 0 | 109.9 | K507 | P505-K507 PolarHBondContact O-N 3.2Š| ||
| 506 | A | 72.5 | Confident | 72.6 | Confident | 75 Ų | 75 | 82.4 Ų | 82.4 | 62% | 0.62 | 45% | 0.448 | S | S | * | . | trans | -83.1 | 101.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | F504 | F504-A506 VanDerWaalsContact C-N 3.33Å; F504-A506 PolarHBondContact O-N 2.87Å | ||
| 507 | K | 77.1 | Confident | 72 | Confident | 134 Ų | 134 | 90 Ų | 90 | 58% | 0.583 | 48% | 0.481 | S | S | * | . | trans | -81.1 | 117.7 | 166.4 | -175.1 | 176.5 | 178 | -178.6 | 0 | 108.4 | P505 V509 T544 | P505-K507 PolarHBondContact O-N 3.2Å; K507-V509 HydrophobicContact CG-CG1 4.33Å; K507-V509 PolarHBondContact O-N 3.49Å; K507-T544 VanDerWaalsContact NZ-CB 3.34Å; K507-T544 PolarHBondContact NZ-OG1 3.48Å | ||
| 508 | V | 76.9 | Confident | 71.1 | Confident | 105 Ų | 105 | 92.3 Ų | 92.3 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | trans | -65.6 | 105.4 | 168.7 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | D511 | V508-D511 HydrophobicContact CG1-CB 3.93Š| ||
| 509 | V | 72.2 | Confident | 69.9 | Low | 55 Ų | 55 | 94.7 Ų | 94.7 | 33% | 0.333 | 51% | 0.514 | S | S | . | . | trans | -93.1 | -12.6 | 176.7 | -67.2 | 0 | 0 | 0 | 0 | 112 | K507 S545 L546 | K507-V509 HydrophobicContact CG-CG1 4.33Å; K507-V509 PolarHBondContact O-N 3.49Å; V509-S545 CarbonylContact O-C 3.49Å; V509-S545 WeakPolarHBondContact O-CA 3.34Å; V509-S545 WeakPolarHBondContact O-CB 3.46Å; V509-L546 HydrophobicContact CG2-CB 4.47Å; V509-L546 HydrophobicContact CG2-CD1 3.79Å; V509-L546 HydrophobicContact CG2-CG 4.28Å; V509-L546 CarbonylContact O-C 3.55Å; V509-L546 PolarHBondContact O-N 3.46Å | ||
| 510 | Y | 72 | Confident | 68.7 | Low | 78 Ų | 78 | 101 Ų | 101 | 31% | 0.306 | 54% | 0.539 | S | S | . | . | trans | -160.9 | 135.7 | 170.5 | -171.8 | -121 | 0 | 0 | 0 | 109.3 | L512 L515 L546 F548 | Y510-L512 HydrophobicContact CE1-CB 4.09Å; Y510-L512 HydrophobicContact CE1-CD1 4.01Å; Y510-L515 HydrophobicContact CE2-CD1 3.85Å; Y510-L515 WeakPolarHBondContact OH-CD1 3.12Å; Y510-L546 WeakPolarHBondContact CB-O 3.33Å; Y510-L546 WeakPolarHBondContact CD2-O 3.25Å; Y510-L546 VanDerWaalsContact CG-O 3.25Å; Y510-F548 HydrophobicContact CE1-CB 3.79Å; Y510-F548 HydrophobicContact CE2-CB 4.27Å; Y510-F548 VanDerWaalsContact CE2-N 3.29Å; Y510-F548 VanDerWaalsContact CZ-CB 3.46Å; Y510-F548 VanDerWaalsContact CZ-N 3.35Å; Y510-F548 WeakPolarHBondContact OH-CB 3.23Å | ||
| 511 | D | 74.1 | Confident | 67.3 | Low | 58 Ų | 58 | 99.5 Ų | 99.5 | 31% | 0.31 | 54% | 0.54 | S | S | . | . | trans | -129.8 | 105.2 | 175.3 | -172.5 | -11.2 | 0 | 0 | 0 | 109.1 | V508 D513 A514 | V508-D511 HydrophobicContact CG1-CB 3.93Å; D511-D513 PolarHBondContact O-N 2.81Å; D511-D513 WeakPolarHBondContact OD1-CA 3.5Å; D511-D513 VanDerWaalsContact OD1-CB 3.32Å; D511-D513 WeakPolarHBondContact OD1-CB 3.33Å; D511-D513 PolarHBondContact OD1-N 3.28Å; D511-A514 HydrophobicContact CB-CB 3.72Å; D511-A514 PolarHBondContact O-N 2.89Å; D511-A514 PolarHBondContact OD1-N 3.47Å; D511-A514 VanDerWaalsContact OD1-N 3.1Å | ||
| 512 | L | 71.5 | Confident | 65.7 | Low | 93 Ų | 93 | 106.4 Ų | 106.4 | 49% | 0.487 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.8 | -29.3 | 176.8 | -170.1 | 70.6 | 0 | 0 | 0 | 111.4 | Y510 L515 | Y510-L512 HydrophobicContact CE1-CB 4.09Å; Y510-L512 HydrophobicContact CE1-CD1 4.01Å; L512-L515 HydrophobicContact CD1-CD1 4.23Å; L512-L515 PolarHBondContact O-N 2.85Å |
| 513 | D | 72.6 | Confident | 65 | Low | 56 Ų | 56 | 101.3 Ų | 101.3 | 30% | 0.299 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -31.1 | 179.3 | -59.9 | -18.2 | 0 | 0 | 0 | 110.7 | P285 D511 L516 K517 | P285-D513 HydrophobicContact CB-CB 4.32Å; P285-D513 VanDerWaalsContact CG-OD1 3.25Å; P285-D513 WeakPolarHBondContact CG-OD1 3.32Å; D511-D513 PolarHBondContact O-N 2.81Å; D511-D513 WeakPolarHBondContact OD1-CA 3.5Å; D511-D513 VanDerWaalsContact OD1-CB 3.32Å; D511-D513 WeakPolarHBondContact OD1-CB 3.33Å; D511-D513 PolarHBondContact OD1-N 3.28Å; D513-L516 WeakPolarHBondContact O-CB 3.23Å; D513-L516 PolarHBondContact O-N 2.74Å; D513-K517 PolarHBondContact O-N 3.08Å |
| 514 | A | 69.8 | Low | 64 | Low | 33 Ų | 33 | 101.3 Ų | 101.3 | 27% | 0.273 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | D511 L516 K517 E518 | D511-A514 HydrophobicContact CB-CB 3.72Å; D511-A514 PolarHBondContact O-N 2.89Å; D511-A514 PolarHBondContact OD1-N 3.47Å; D511-A514 VanDerWaalsContact OD1-N 3.1Å; A514-L516 PolarHBondContact O-N 2.78Å; A514-L516 VanDerWaalsContact O-N 3.08Å; A514-K517 PolarHBondContact O-N 2.94Å; A514-E518 PolarHBondContact O-N 3.01Å; A514-E518 VanDerWaalsContact O-N 3.14Å |
| 515 | L | 62.7 | Low | 63.1 | Low | 80 Ų | 80 | 100.3 Ų | 100.3 | 42% | 0.419 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.4 | -21.8 | 175.2 | -74.5 | 170.3 | 0 | 0 | 0 | 113.6 | Y510 L512 | Y510-L515 HydrophobicContact CE2-CD1 3.85Å; Y510-L515 WeakPolarHBondContact OH-CD1 3.12Å; L512-L515 HydrophobicContact CD1-CD1 4.23Å; L512-L515 PolarHBondContact O-N 2.85Å |
| 516 | L | 65.1 | Low | 62 | Low | 67 Ų | 67 | 103.8 Ų | 103.8 | 35% | 0.351 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -85.9 | -17.7 | 177 | -61.3 | 172.9 | 0 | 0 | 0 | 113 | P285 V286 Y459 D513 A514 | P285-L516 HydrophobicContact CB-CD1 3.45Å; P285-L516 VanDerWaalsContact CB-CD1 3.45Å; P285-L516 HydrophobicContact CG-CD1 3.24Å; V286-L516 HydrophobicContact CG2-CD1 3.94Å; Y459-L516 HydrophobicContact CD1-CD2 3.96Å; Y459-L516 HydrophobicContact CE1-CD1 4.12Å; Y459-L516 HydrophobicContact CE1-CD2 3.54Å; Y459-L516 HydrophobicContact CE1-CG 4.49Å; D513-L516 WeakPolarHBondContact O-CB 3.23Å; D513-L516 PolarHBondContact O-N 2.74Å; A514-L516 PolarHBondContact O-N 2.78Å; A514-L516 VanDerWaalsContact O-N 3.08Å |
| 517 | K | 67.8 | Low | 61.3 | Low | 172 Ų | 172 | 102 Ų | 102 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -91.5 | -26.3 | 176.8 | -64.7 | 174 | -174 | 169.1 | 0 | 112.4 | D513 A514 | D513-K517 PolarHBondContact O-N 3.08Å; A514-K517 PolarHBondContact O-N 2.94Å |
| 518 | E | 62.7 | Low | 60.5 | Low | 121 Ų | 121 | 97 Ų | 97 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -65.3 | 134.5 | 177.3 | -71.3 | -178.9 | -175.8 | 0 | 0 | 110.7 | A514 K520 | A514-E518 PolarHBondContact O-N 3.01Å; A514-E518 VanDerWaalsContact O-N 3.14Å; E518-K520 PolarHBondContact O-N 2.94Å |
| 519 | P | 55.3 | Low | 59.9 | Low | 122 Ų | 122 | 93 Ų | 93 | 79% | 0.792 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 118.5 | 170.7 | 22.9 | -29.1 | 0 | 0 | 0 | 107.7 | P521 | P519-P521 WeakPolarHBondContact O-CD 2.83Å; P519-P521 VanDerWaalsContact O-N 3.15Å |
| 520 | K | 53 | Low | 59.4 | Low | 162 Ų | 162 | 91.5 Ų | 91.5 | 70% | 0.704 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 124.3 | 179.1 | -68.8 | -179.4 | -179.2 | 177.7 | 0 | 107.5 | E518 E522 | E518-K520 PolarHBondContact O-N 2.94Å; K520-E522 PolarHBondContact O-N 3.49Å |
| 521 | P | 49.2 | Very low | 59 | Low | 98 Ų | 98 | 91.3 Ų | 91.3 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 141.5 | 161.3 | 21.6 | -28.2 | 0 | 0 | 0 | 106.9 | P519 V523 | P519-P521 WeakPolarHBondContact O-CD 2.83Å; P519-P521 VanDerWaalsContact O-N 3.15Å; P521-V523 HydrophobicContact CB-CG2 4.48Å; P521-V523 HydrophobicContact CG-CG2 4.02Å; P521-V523 PolarHBondContact O-N 3.27Å |
| 522 | E | 46.7 | Very low | 58.5 | Low | 191 Ų | 191 | 88.7 Ų | 88.7 | 89% | 0.893 | 48% | 0.476 | S | S | * | . | trans | -61.1 | 82 | 164.4 | -75.5 | -172.8 | 162.2 | 0 | 0 | 106.9 | K520 P524 | K520-E522 PolarHBondContact O-N 3.49Å; E522-P524 WeakPolarHBondContact O-CD 2.99Å | ||
| 523 | V | 47 | Very low | 58.2 | Low | 105 Ų | 105 | 87.5 Ų | 87.5 | 64% | 0.636 | 47% | 0.47 | S | S | * | . | trans | -68.2 | 113.6 | 169.3 | -177.4 | 0 | 0 | 0 | 0 | 103.4 | P521 A525 | P521-V523 HydrophobicContact CB-CG2 4.48Å; P521-V523 HydrophobicContact CG-CG2 4.02Å; P521-V523 PolarHBondContact O-N 3.27Å; V523-A525 PolarHBondContact O-N 3.07Å | ||
| 524 | P | 43.5 | Very low | 57.9 | Low | 97 Ų | 97 | 89.5 Ų | 89.5 | 63% | 0.63 | 48% | 0.48 | S | S | * | . | trans | -52.2 | 140.5 | 175.9 | -21.3 | 32.3 | 0 | 0 | 0 | 107.4 | E522 R526 | E522-P524 WeakPolarHBondContact O-CD 2.99Å; P524-R526 PolarHBondContact O-N 2.84Å | ||
| 525 | A | 46.7 | Very low | 57.7 | Low | 94 Ų | 94 | 90.9 Ų | 90.9 | 78% | 0.777 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -58.4 | 9.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V523 | V523-A525 PolarHBondContact O-N 3.07Š|
| 526 | R | 44.7 | Very low | 57.9 | Low | 183 Ų | 183 | 89.1 Ų | 89.1 | 69% | 0.691 | 47% | 0.468 | S | S | * | . | trans | -122.2 | 64.5 | -171.4 | -62.5 | -178.6 | 179.5 | 169.8 | 0.5 | 110.6 | P524 | P524-R526 PolarHBondContact O-N 2.84Š| ||
| 527 | S | 56.3 | Low | 58 | Low | 37 Ų | 37 | 88.3 Ų | 88.3 | 26% | 0.259 | 48% | 0.476 | S | S | . | . | trans | -177.7 | 89.3 | 137.8 | -171.3 | 0 | 0 | 0 | 0 | 109.1 | L529 | S527-L529 PolarHBondContact O-N 3.2Å; S527-L529 WeakPolarHBondContact OG-CB 3.36Å; S527-L529 VanDerWaalsContact OG-CG 3.3Å; S527-L529 WeakPolarHBondContact OG-CG 3.34Å; S527-L529 PolarHBondContact OG-N 2.98Å; S527-L529 PolarHBondContact OG-O 2.86Å | ||
| 528 | L | 61.2 | Low | 57.8 | Low | 29 Ų | 29 | 86.1 Ų | 86.1 | 15% | 0.152 | 47% | 0.467 | C | S | . | . | trans | -68.1 | 0.8 | 156.4 | -72.8 | 176.3 | 0 | 0 | 0 | 111.6 | V449 A452 A453 F461 I464 | V449-L528 HydrophobicContact CG1-CB 4.03Å; V449-L528 HydrophobicContact CG1-CD1 4.18Å; A452-L528 HydrophobicContact CB-CD1 4.08Å; A453-L528 HydrophobicContact CB-CD1 3.76Å; F461-L528 HydrophobicContact CB-CD2 3.56Å; F461-L528 VanDerWaalsContact O-CD2 3.28Å; F461-L528 WeakPolarHBondContact O-CD2 3.46Å; I464-L528 HydrophobicContact CD1-CB 3.77Å; I464-L528 HydrophobicContact CD1-CD1 4.29Å; I464-L528 HydrophobicContact CG1-CB 4.15Å; I464-L528 PolarHBondContact N-O 2.85Å; I464-L528 VanDerWaalsContact N-O 3.12Å | ||
| 529 | L | 63.4 | Low | 57.7 | Low | 23 Ų | 23 | 84 Ų | 84 | 12% | 0.12 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -67.1 | 134.2 | 176.9 | -45.5 | 169.8 | 0 | 0 | 0 | 108.3 | L426 W445 Y469 S527 | L426-L529 HydrophobicContact CD2-CD1 4.44Å; L426-L529 HydrophobicContact CD2-CD2 3.95Å; L426-L529 HydrophobicContact CD2-CG 4.45Å; W445-L529 HydrophobicContact CH2-CD2 4.11Å; W445-L529 HydrophobicContact CZ3-CD2 3.67Å; Y469-L529 HydrophobicContact CE2-CD2 3.73Å; S527-L529 PolarHBondContact O-N 3.2Å; S527-L529 WeakPolarHBondContact OG-CB 3.36Å; S527-L529 VanDerWaalsContact OG-CG 3.3Å; S527-L529 WeakPolarHBondContact OG-CG 3.34Å; S527-L529 PolarHBondContact OG-N 2.98Å; S527-L529 PolarHBondContact OG-O 2.86Å |
| 530 | S | 62.9 | Low | 57.8 | Low | 22 Ų | 22 | 80 Ų | 80 | 15% | 0.154 | 43% | 0.434 | C | S | . | . | trans | -72.5 | 133 | 171.3 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | I464 D532 | I464-S530 WeakPolarHBondContact O-CB 3.44Å; S530-D532 WeakPolarHBondContact OG-CB 3.38Å; S530-D532 PolarHBondContact OG-N 3.08Å; S530-D532 PolarHBondContact OG-OD1 2.72Å; S530-D532 PolarHBondContact OG-OD2 2.87Å | ||
| 531 | D | 62.7 | Low | 57.9 | Low | 74 Ų | 74 | 76.9 Ų | 76.9 | 40% | 0.396 | 44% | 0.439 | S | S | . | . | trans | -85.5 | 9.4 | 167.7 | -68.9 | -28.7 | 0 | 0 | 0 | 112.1 | L533 I534 R535 | D531-L533 VanDerWaalsContact C-N 3.27Å; D531-L533 PolarHBondContact O-N 2.62Å; D531-I534 HydrophobicContact CB-CD1 4.45Å; D531-I534 WeakPolarHBondContact O-CB 3.37Å; D531-I534 PolarHBondContact O-N 2.72Å; D531-R535 PolarHBondContact O-N 2.83Å | ||
| 532 | D | 64.7 | Low | 58 | Low | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.016 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -49.7 | -46.9 | -179.3 | -73.3 | -26.8 | 0 | 0 | 0 | 111.4 | S530 I534 R535 L536 M644 Y646 | S530-D532 WeakPolarHBondContact OG-CB 3.38Å; S530-D532 PolarHBondContact OG-N 3.08Å; S530-D532 PolarHBondContact OG-OD1 2.72Å; S530-D532 PolarHBondContact OG-OD2 2.87Å; D532-I534 VanDerWaalsContact C-N 3.28Å; D532-I534 PolarHBondContact O-N 3.44Å; D532-R535 CarbonylContact O-C 3.49Å; D532-R535 PolarHBondContact O-N 2.79Å; D532-R535 IonicContact OD1-CZ 3.49Å; D532-R535 IonicContact OD1-NE 3.54Å; D532-R535 IonicContact OD1-NH2 2.76Å; D532-R535 PolarHBondContact OD1-NH2 2.82Å; D532-L536 PolarHBondContact O-N 2.89Å; D532-M644 VanDerWaalsContact C-CE 3.45Å; D532-M644 HydrophobicContact CB-CE 3.75Å; D532-M644 HydrophobicContact CB-SD 3.72Å; D532-M644 WeakPolarHBondContact O-CE 3.41Å; D532-Y646 PolarHBondContact OD2-OH 3.38Å |
| 533 | L | 64.4 | Low | 57.9 | Low | 69 Ų | 69 | 73.1 Ų | 73.1 | 36% | 0.361 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.6 | -36.7 | 178.5 | -71.8 | 177 | 0 | 0 | 0 | 113.7 | F466 D531 R535 L589 | F466-L533 HydrophobicContact CE2-CD2 3.71Å; F466-L533 HydrophobicContact CE2-CG 4.03Å; D531-L533 VanDerWaalsContact C-N 3.27Å; D531-L533 PolarHBondContact O-N 2.62Å; L533-R535 PolarHBondContact O-N 2.95Å; L533-L589 HydrophobicContact CD2-CD1 3.81Å; L533-L589 HydrophobicContact CD2-CD2 3.98Å; L533-L589 HydrophobicContact CD2-CG 4.45Å |
| 534 | I | 65.9 | Low | 57.8 | Low | 97 Ų | 97 | 72.8 Ų | 72.8 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.8 | -28.8 | 178.7 | -60.8 | 173.9 | 0 | 0 | 0 | 110.5 | D531 D532 K538 | D531-I534 HydrophobicContact CB-CD1 4.45Å; D531-I534 WeakPolarHBondContact O-CB 3.37Å; D531-I534 PolarHBondContact O-N 2.72Å; D532-I534 VanDerWaalsContact C-N 3.28Å; D532-I534 PolarHBondContact O-N 3.44Å; I534-K538 WeakPolarHBondContact O-CD 3.21Å; I534-K538 VanDerWaalsContact O-CE 3.23Å; I534-K538 WeakPolarHBondContact O-CE 3.19Å; I534-K538 PolarHBondContact O-NZ 3.17Å |
| 535 | R | 64.9 | Low | 57.8 | Low | 62 Ų | 62 | 69.9 Ų | 69.9 | 23% | 0.234 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -91.1 | -20.7 | -175.8 | -64.1 | -176.4 | -66.6 | -166.4 | 1 | 113.6 | D531 D532 L533 G537 K538 E549 L551 | D531-R535 PolarHBondContact O-N 2.83Å; D532-R535 CarbonylContact O-C 3.49Å; D532-R535 PolarHBondContact O-N 2.79Å; D532-R535 IonicContact OD1-CZ 3.49Å; D532-R535 IonicContact OD1-NE 3.54Å; D532-R535 IonicContact OD1-NH2 2.76Å; D532-R535 PolarHBondContact OD1-NH2 2.82Å; L533-R535 PolarHBondContact O-N 2.95Å; R535-G537 PolarHBondContact O-N 2.82Å; R535-K538 PolarHBondContact O-N 3.08Å; R535-E549 IonicContact CZ-OE2 3.54Å; R535-E549 IonicContact NH1-OE2 3.5Å; R535-E549 PolarHBondContact NH1-OE2 2.76Å; R535-E549 IonicContact NH2-OE2 3.82Å; R535-E549 PolarHBondContact NH2-OE2 3.08Å; R535-L551 HydrophobicContact CB-CD1 4.49Å |
| 536 | L | 68.8 | Low | 57.6 | Low | 43 Ų | 43 | 69 Ų | 69 | 23% | 0.225 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 134.4 | -177.4 | -170.7 | 71.3 | 0 | 0 | 0 | 112.3 | D532 K538 V585 L589 M644 | D532-L536 PolarHBondContact O-N 2.89Å; L536-K538 PolarHBondContact O-N 2.89Å; L536-V585 HydrophobicContact CD1-CB 4.49Å; L536-V585 HydrophobicContact CD1-CG1 4.25Å; L536-V585 HydrophobicContact CD2-CG1 4.47Å; L536-L589 HydrophobicContact CD2-CD1 3.28Å; L536-M644 HydrophobicContact CB-CE 3.6Å; L536-M644 HydrophobicContact CD1-CE 3.52Å; L536-M644 HydrophobicContact CG-CE 4.14Å |
| 537 | G | 65.2 | Low | 57.8 | Low | 50 Ų | 50 | 64.8 Ų | 64.8 | 52% | 0.515 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -1.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R535 Y642 | R535-G537 PolarHBondContact O-N 2.82Å; G537-Y642 PolarHBondContact N-O 2.85Å |
| 538 | K | 64.3 | Low | 57.3 | Low | 126 Ų | 126 | 71 Ų | 71 | 55% | 0.548 | 39% | 0.385 | S | S | . | . | trans | -96.7 | 138.5 | 179.3 | -64.4 | 179.8 | -178.6 | 164.9 | 0 | 111.3 | I534 R535 L536 | I534-K538 WeakPolarHBondContact O-CD 3.21Å; I534-K538 VanDerWaalsContact O-CE 3.23Å; I534-K538 WeakPolarHBondContact O-CE 3.19Å; I534-K538 PolarHBondContact O-NZ 3.17Å; R535-K538 PolarHBondContact O-N 3.08Å; L536-K538 PolarHBondContact O-N 2.89Å | ||
| 539 | V | 60 | Low | 56.7 | Low | 77 Ų | 77 | 71.9 Ų | 71.9 | 47% | 0.467 | 39% | 0.389 | S | S | . | . | trans | -77.5 | 120.4 | 170.1 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | A541 Y642 | V539-A541 PolarHBondContact O-N 2.88Å; V539-Y642 HydrophobicContact CG2-CD1 4.14Å; V539-Y642 HydrophobicContact CG2-CE1 3.52Å; V539-Y642 HydrophobicContact CG2-CE2 4.5Å | ||
| 540 | D | 59 | Low | 55.7 | Low | 38 Ų | 38 | 71.5 Ų | 71.5 | 20% | 0.203 | 39% | 0.388 | C | S | . | . | trans | -83.7 | 98.5 | 166.2 | -170.9 | -14.3 | 0 | 0 | 0 | 108.7 | Q542 T543 K547 L551 | D540-Q542 PolarHBondContact O-N 3.12Å; D540-Q542 WeakPolarHBondContact OD1-CA 3.07Å; D540-Q542 WeakPolarHBondContact OD1-CB 3.37Å; D540-Q542 PolarHBondContact OD1-N 2.93Å; D540-T543 WeakPolarHBondContact CB-OG1 3.42Å; D540-T543 VanDerWaalsContact CG-OG1 3.24Å; D540-T543 PolarHBondContact OD1-N 2.92Å; D540-T543 VanDerWaalsContact OD2-CG2 3.31Å; D540-T543 WeakPolarHBondContact OD2-CG2 3.29Å; D540-T543 PolarHBondContact OD2-OG1 3.09Å; D540-K547 IonicContact OD2-NZ 3.14Å; D540-L551 HydrophobicContact CB-CD1 4.41Å | ||
| 541 | A | 54.7 | Low | 54.9 | Low | 97 Ų | 97 | 71.4 Ų | 71.4 | 80% | 0.802 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V539 | V539-A541 PolarHBondContact O-N 2.88Š|
| 542 | Q | 51.5 | Low | 54.4 | Low | 185 Ų | 185 | 72.8 Ų | 72.8 | 86% | 0.864 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -10.4 | -176.9 | -62.7 | -174.4 | -5.1 | 0 | 0 | 113.1 | D540 | D540-Q542 PolarHBondContact O-N 3.12Å; D540-Q542 WeakPolarHBondContact OD1-CA 3.07Å; D540-Q542 WeakPolarHBondContact OD1-CB 3.37Å; D540-Q542 PolarHBondContact OD1-N 2.93Å |
| 543 | T | 44.6 | Very low | 54.2 | Low | 24 Ų | 24 | 76 Ų | 76 | 15% | 0.147 | 40% | 0.403 | C | S | . | . | trans | -126.2 | 124.1 | -177.3 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | D540 S545 K547 | D540-T543 WeakPolarHBondContact CB-OG1 3.42Å; D540-T543 VanDerWaalsContact CG-OG1 3.24Å; D540-T543 PolarHBondContact OD1-N 2.92Å; D540-T543 VanDerWaalsContact OD2-CG2 3.31Å; D540-T543 WeakPolarHBondContact OD2-CG2 3.29Å; D540-T543 PolarHBondContact OD2-OG1 3.09Å; T543-S545 VanDerWaalsContact C-N 3.33Å; T543-K547 HydrophobicContact CG2-CD 4.5Å | ||
| 544 | T | 44.2 | Very low | 54.4 | Low | 98 Ų | 98 | 73.3 Ų | 73.3 | 60% | 0.601 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -100.7 | 19.1 | 168.1 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | K507 | K507-T544 VanDerWaalsContact NZ-CB 3.34Å; K507-T544 PolarHBondContact NZ-OG1 3.48Å |
| 545 | S | 43.1 | Very low | 54.9 | Low | 36 Ų | 36 | 72.4 Ų | 72.4 | 25% | 0.252 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -134.8 | 134.3 | -157.7 | 52.6 | 0 | 0 | 0 | 0 | 109.6 | V509 T543 K547 | V509-S545 CarbonylContact O-C 3.49Å; V509-S545 WeakPolarHBondContact O-CA 3.34Å; V509-S545 WeakPolarHBondContact O-CB 3.46Å; T543-S545 VanDerWaalsContact C-N 3.33Å; S545-K547 PolarHBondContact O-N 3.08Å |
| 546 | L | 44 | Very low | 55.7 | Low | 75 Ų | 75 | 71.2 Ų | 71.2 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | trans | -51 | 122.1 | 165.9 | -75.9 | 166 | 0 | 0 | 0 | 107.8 | V509 Y510 | V509-L546 HydrophobicContact CG2-CB 4.47Å; V509-L546 HydrophobicContact CG2-CD1 3.79Å; V509-L546 HydrophobicContact CG2-CG 4.28Å; V509-L546 CarbonylContact O-C 3.55Å; V509-L546 PolarHBondContact O-N 3.46Å; Y510-L546 WeakPolarHBondContact CB-O 3.33Å; Y510-L546 WeakPolarHBondContact CD2-O 3.25Å; Y510-L546 VanDerWaalsContact CG-O 3.25Å | ||
| 547 | K | 47.6 | Very low | 56.4 | Low | 95 Ų | 95 | 74.7 Ų | 74.7 | 41% | 0.413 | 41% | 0.407 | S | S | . | . | trans | -88.4 | 151.9 | 152.5 | -72.2 | 173.6 | 175.6 | 162.5 | 0 | 106.1 | D540 T543 S545 E549 S550 | D540-K547 IonicContact OD2-NZ 3.14Å; T543-K547 HydrophobicContact CG2-CD 4.5Å; S545-K547 PolarHBondContact O-N 3.08Å; K547-E549 CarbonylContact O-C 3.56Å; K547-E549 PolarHBondContact O-N 3.14Å; K547-S550 PolarHBondContact O-N 2.82Å; K547-S550 VanDerWaalsContact O-N 3.08Å | ||
| 548 | F | 45.3 | Very low | 57.5 | Low | 167 Ų | 167 | 75 Ų | 75 | 73% | 0.732 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -51.7 | -25.5 | 174 | -179.8 | -96.8 | 0 | 0 | 0 | 111.7 | Y510 S550 | Y510-F548 HydrophobicContact CE1-CB 3.79Å; Y510-F548 HydrophobicContact CE2-CB 4.27Å; Y510-F548 VanDerWaalsContact CE2-N 3.29Å; Y510-F548 VanDerWaalsContact CZ-CB 3.46Å; Y510-F548 VanDerWaalsContact CZ-N 3.35Å; Y510-F548 WeakPolarHBondContact OH-CB 3.23Å; F548-S550 PolarHBondContact O-N 2.99Å |
| 549 | E | 49.1 | Very low | 58.8 | Low | 48 Ų | 48 | 72.6 Ų | 72.6 | 22% | 0.224 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -88.8 | 79.1 | 162.4 | -57.1 | 178.8 | 170.2 | 0 | 0 | 110.3 | T463 R535 K547 L551 | T463-E549 WeakPolarHBondContact CB-OE1 3.42Å; T463-E549 WeakPolarHBondContact CG2-OE1 3.45Å; T463-E549 PolarHBondContact OG1-OE1 3.07Å; R535-E549 IonicContact CZ-OE2 3.54Å; R535-E549 IonicContact NH1-OE2 3.5Å; R535-E549 PolarHBondContact NH1-OE2 2.76Å; R535-E549 IonicContact NH2-OE2 3.82Å; R535-E549 PolarHBondContact NH2-OE2 3.08Å; K547-E549 CarbonylContact O-C 3.56Å; K547-E549 PolarHBondContact O-N 3.14Å; E549-L551 VanDerWaalsContact C-N 3.32Å; E549-L551 PolarHBondContact O-N 3.13Å |
| 550 | S | 43.9 | Very low | 60.2 | Low | 16 Ų | 16 | 70.8 Ų | 70.8 | 11% | 0.112 | 38% | 0.382 | C | S | . | . | trans | 45.3 | 21.7 | 137.8 | 57.6 | 0 | 0 | 0 | 0 | 122 | K547 F548 M644 | K547-S550 PolarHBondContact O-N 2.82Å; K547-S550 VanDerWaalsContact O-N 3.08Å; F548-S550 PolarHBondContact O-N 2.99Å; S550-M644 WeakPolarHBondContact OG-CG 3.27Å | ||
| 551 | L | 45.5 | Very low | 61.7 | Low | 20 Ų | 20 | 72.5 Ų | 72.5 | 11% | 0.105 | 39% | 0.394 | C | S | . | . | trans | -106.4 | 102.3 | 170.5 | -72.2 | 170.2 | 0 | 0 | 0 | 111.8 | R535 D540 E549 | R535-L551 HydrophobicContact CB-CD1 4.49Å; D540-L551 HydrophobicContact CB-CD1 4.41Å; E549-L551 VanDerWaalsContact C-N 3.32Å; E549-L551 PolarHBondContact O-N 3.13Å | ||
| 552 | W | 51.6 | Low | 63.5 | Low | 102 Ų | 102 | 70.7 Ų | 70.7 | 39% | 0.386 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -119.1 | 152 | 152.5 | -170.5 | 68.3 | 0 | 0 | 0 | 105.9 | M554 V555 Y560 | W552-M554 HydrophobicContact CB-CG 4.31Å; W552-M554 VanDerWaalsContact CE3-CA 3.41Å; W552-M554 HydrophobicContact CE3-CB 4.15Å; W552-M554 HydrophobicContact CE3-CG 3.61Å; W552-M554 HydrophobicContact CZ3-CG 4.33Å; W552-M554 PolarHBondContact O-N 3.36Å; W552-V555 HydrophobicContact CH2-CG2 4.43Å; W552-Y560 HydrophobicContact CD2-CE1 4.44Å; W552-Y560 HydrophobicContact CE3-CD1 4.44Å; W552-Y560 AromaticContact CE3-CE1 3.69Å; W552-Y560 HydrophobicContact CE3-CE1 3.69Å; W552-Y560 AromaticContact CE3-CZ 3.89Å; W552-Y560 HydrophobicContact CH2-CD1 4.43Å; W552-Y560 AromaticContact CH2-CE1 3.2Å; W552-Y560 HydrophobicContact CH2-CE1 3.2Å; W552-Y560 AromaticContact CH2-CZ 3.41Å; W552-Y560 VanDerWaalsContact CH2-CZ 3.41Å; W552-Y560 WeakPolarHBondContact CH2-OH 3.36Å; W552-Y560 AromaticContact CZ2-CE1 3.91Å; W552-Y560 HydrophobicContact CZ2-CE1 3.91Å; W552-Y560 HydrophobicContact CZ3-CD1 4.17Å; W552-Y560 AromaticContact CZ3-CE1 3.06Å; W552-Y560 HydrophobicContact CZ3-CE1 3.06Å; W552-Y560 HydrophobicContact CZ3-CE2 4.05Å; W552-Y560 AromaticContact CZ3-CZ 3.02Å; W552-Y560 WeakPolarHBondContact CZ3-OH 3.48Å |
| 553 | N | 60.1 | Low | 65.5 | Low | 71 Ų | 71 | 64.6 Ų | 64.6 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | trans | -68.1 | 70.1 | 168.6 | -79.4 | -16.3 | 0 | 0 | 0 | 109.1 | V555 Y642 | N553-V555 PolarHBondContact O-N 2.83Å; N553-V555 VanDerWaalsContact O-N 3.08Å; N553-Y642 HydrophobicContact CB-CE1 4.25Å | ||
| 554 | M | 69.5 | Low | 67.8 | Low | 12 Ų | 12 | 66.5 Ų | 66.5 | 6% | 0.059 | 35% | 0.35 | C | S | . | . | trans | -59.2 | 112.5 | -177.2 | -83.9 | -175 | -74.7 | 0 | 0 | 109.4 | W552 F638 A641 Y642 D643 | W552-M554 HydrophobicContact CB-CG 4.31Å; W552-M554 VanDerWaalsContact CE3-CA 3.41Å; W552-M554 HydrophobicContact CE3-CB 4.15Å; W552-M554 HydrophobicContact CE3-CG 3.61Å; W552-M554 HydrophobicContact CZ3-CG 4.33Å; W552-M554 PolarHBondContact O-N 3.36Å; M554-F638 HydrophobicContact CG-CD2 4.04Å; M554-F638 HydrophobicContact CG-CE2 4.31Å; M554-F638 HydrophobicContact CG-CG 4.4Å; M554-F638 HydrophobicContact SD-CB 4.35Å; M554-F638 HydrophobicContact SD-CD1 3.66Å; M554-F638 HydrophobicContact SD-CD2 3.6Å; M554-F638 HydrophobicContact SD-CE1 3.76Å; M554-F638 HydrophobicContact SD-CE2 3.7Å; M554-F638 HydrophobicContact SD-CG 3.58Å; M554-F638 VanDerWaalsContact SD-CG 3.58Å; M554-F638 HydrophobicContact SD-CZ 3.79Å; M554-A641 VanDerWaalsContact O-CA 3.23Å; M554-A641 WeakPolarHBondContact O-CA 3.25Å; M554-Y642 PolarHBondContact O-N 3.29Å; M554-D643 HydrophobicContact CE-CB 4.29Å; M554-D643 WeakPolarHBondContact CE-O 3.42Å | ||
| 555 | V | 76.6 | Confident | 70.1 | Confident | 79 Ų | 79 | 63.6 Ų | 63.6 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | trans | -81.4 | 123.2 | 169.9 | -172.1 | 0 | 0 | 0 | 0 | 106.9 | W552 N553 V558 | W552-V555 HydrophobicContact CH2-CG2 4.43Å; N553-V555 PolarHBondContact O-N 2.83Å; N553-V555 VanDerWaalsContact O-N 3.08Å; V555-V558 HydrophobicContact CB-CB 4.26Å; V555-V558 HydrophobicContact CB-CG2 3.74Å; V555-V558 HydrophobicContact CG1-CG2 3.51Å | ||
| 556 | S | 81.7 | Confident | 72.3 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 143.6 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | V558 R639 | S556-V558 PolarHBondContact O-N 3.34Å; S556-R639 PolarHBondContact OG-O 3.19Å |
| 557 | N | 82.9 | Confident | 74.6 | Confident | 115 Ų | 115 | 64.2 Ų | 64.2 | 62% | 0.615 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 14.3 | 174.2 | -63.2 | -39 | 0 | 0 | 0 | 116.2 | F638 | N557-F638 PolarHBondContact N-O 3.2Š|
| 558 | V | 88.9 | Confident | 76.4 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 34% | 0.339 | 33% | 0.332 | S | S | . | . | trans | -88.6 | 140.6 | 169.7 | 174.7 | 0 | 0 | 0 | 0 | 110 | V555 S556 Y560 | V555-V558 HydrophobicContact CB-CB 4.26Å; V555-V558 HydrophobicContact CB-CG2 3.74Å; V555-V558 HydrophobicContact CG1-CG2 3.51Å; S556-V558 PolarHBondContact O-N 3.34Å; V558-Y560 HydrophobicContact CB-CE2 3.83Å; V558-Y560 WeakPolarHBondContact CB-OH 3.22Å; V558-Y560 HydrophobicContact CG1-CE2 4.01Å; V558-Y560 VanDerWaalsContact CG1-OH 3.3Å; V558-Y560 WeakPolarHBondContact CG1-OH 3.49Å; V558-Y560 WeakPolarHBondContact O-CD2 3.25Å; V558-Y560 WeakPolarHBondContact O-CE2 3.24Å | ||
| 559 | P | 90.3 | Very high | 78.1 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 126.6 | 176.7 | 27.3 | -33.7 | 0 | 0 | 0 | 112.8 | T635 L636 | P559-T635 HydrophobicContact CB-CG2 3.77Å; P559-L636 WeakPolarHBondContact CA-O 3.43Å |
| 560 | Y | 89.5 | Confident | 79.7 | Confident | 39 Ų | 39 | 57.7 Ų | 57.7 | 15% | 0.153 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 118.7 | 172.7 | -64.3 | -82.7 | 0 | 0 | 0 | 110.6 | W552 V558 T635 L636 F638 | W552-Y560 HydrophobicContact CD2-CE1 4.44Å; W552-Y560 HydrophobicContact CE3-CD1 4.44Å; W552-Y560 AromaticContact CE3-CE1 3.69Å; W552-Y560 HydrophobicContact CE3-CE1 3.69Å; W552-Y560 AromaticContact CE3-CZ 3.89Å; W552-Y560 HydrophobicContact CH2-CD1 4.43Å; W552-Y560 AromaticContact CH2-CE1 3.2Å; W552-Y560 HydrophobicContact CH2-CE1 3.2Å; W552-Y560 AromaticContact CH2-CZ 3.41Å; W552-Y560 VanDerWaalsContact CH2-CZ 3.41Å; W552-Y560 WeakPolarHBondContact CH2-OH 3.36Å; W552-Y560 AromaticContact CZ2-CE1 3.91Å; W552-Y560 HydrophobicContact CZ2-CE1 3.91Å; W552-Y560 HydrophobicContact CZ3-CD1 4.17Å; W552-Y560 AromaticContact CZ3-CE1 3.06Å; W552-Y560 HydrophobicContact CZ3-CE1 3.06Å; W552-Y560 HydrophobicContact CZ3-CE2 4.05Å; W552-Y560 AromaticContact CZ3-CZ 3.02Å; W552-Y560 WeakPolarHBondContact CZ3-OH 3.48Å; V558-Y560 HydrophobicContact CB-CE2 3.83Å; V558-Y560 WeakPolarHBondContact CB-OH 3.22Å; V558-Y560 HydrophobicContact CG1-CE2 4.01Å; V558-Y560 VanDerWaalsContact CG1-OH 3.3Å; V558-Y560 WeakPolarHBondContact CG1-OH 3.49Å; V558-Y560 WeakPolarHBondContact O-CD2 3.25Å; V558-Y560 WeakPolarHBondContact O-CE2 3.24Å; Y560-T635 CarbonylContact O-C 3.56Å; Y560-T635 WeakPolarHBondContact O-CA 3.36Å; Y560-L636 PolarHBondContact N-O 3.29Å; Y560-L636 PolarHBondContact O-N 3.33Å; Y560-F638 AromaticContact CD2-CD2 3.33Å; Y560-F638 HydrophobicContact CD2-CD2 3.33Å; Y560-F638 AromaticContact CD2-CE2 3.36Å; Y560-F638 HydrophobicContact CD2-CE2 3.36Å; Y560-F638 AromaticContact CE2-CD2 3.68Å; Y560-F638 HydrophobicContact CE2-CD2 3.68Å; Y560-F638 HydrophobicContact CE2-CE2 4.08Å; Y560-F638 HydrophobicContact CG-CD2 4.17Å; Y560-F638 AromaticContact CG-CE2 3.73Å; Y560-F638 HydrophobicContact CG-CE2 3.73Å |
| 561 | T | 91.4 | Very high | 81.4 | Confident | 74 Ų | 74 | 59.4 Ų | 59.4 | 45% | 0.454 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.3 | 177 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | T635 | T561-T635 PolarHBondContact OG1-OG1 3.42Å |
| 562 | F | 92.2 | Very high | 83.5 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.7 | 176.6 | -64.1 | -94 | 0 | 0 | 0 | 109.5 | I564 S633 F634 L636 F638 F647 | F562-I564 HydrophobicContact CB-CD1 4.39Å; F562-S633 VanDerWaalsContact O-CA 3.27Å; F562-S633 WeakPolarHBondContact O-CA 3.5Å; F562-F634 HydrophobicContact CB-CD2 4.1Å; F562-F634 HydrophobicContact CB-CE1 4.4Å; F562-F634 HydrophobicContact CB-CE2 3.64Å; F562-F634 HydrophobicContact CB-CZ 3.81Å; F562-F634 HydrophobicContact CD2-CD2 4.12Å; F562-F634 AromaticContact CD2-CE2 3.75Å; F562-F634 HydrophobicContact CD2-CE2 3.75Å; F562-F634 HydrophobicContact CG-CD2 4.46Å; F562-F634 AromaticContact CG-CE2 3.83Å; F562-F634 HydrophobicContact CG-CE2 3.83Å; F562-F634 HydrophobicContact CG-CZ 4.31Å; F562-F634 PolarHBondContact N-O 2.74Å; F562-F634 PolarHBondContact O-N 3.5Å; F562-F634 VanDerWaalsContact O-N 3.17Å; F562-L636 HydrophobicContact CD2-CD1 4Å; F562-L636 HydrophobicContact CE2-CB 4.18Å; F562-L636 HydrophobicContact CE2-CD1 3.74Å; F562-L636 HydrophobicContact CE2-CG 4.37Å; F562-F638 HydrophobicContact CE2-CZ 4.21Å; F562-F638 HydrophobicContact CZ-CE2 4.42Å; F562-F638 HydrophobicContact CZ-CZ 4.05Å; F562-F647 HydrophobicContact CZ-CZ 4.42Å |
| 563 | N | 92.7 | Very high | 85.5 | Confident | 56 Ų | 56 | 54.4 Ų | 54.4 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 111 | 176.9 | -67.5 | -71.2 | 0 | 0 | 0 | 109.9 | I565 T631 S633 | N563-I565 HydrophobicContact CB-CG2 3.99Å; N563-T631 HydrophobicContact CB-CG2 4Å; N563-S633 VanDerWaalsContact OD1-CB 3.31Å; N563-S633 WeakPolarHBondContact OD1-CB 3.4Å; N563-S633 PolarHBondContact OD1-OG 2.74Å; N563-S633 VanDerWaalsContact OD1-OG 3.08Å |
| 564 | I | 93.6 | Very high | 87.1 | Confident | 65 Ų | 65 | 51.5 Ų | 51.5 | 33% | 0.333 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 97.7 | 176.3 | -58 | 75.1 | 0 | 0 | 0 | 107.3 | F562 C567 T631 A632 F634 | F562-I564 HydrophobicContact CB-CD1 4.39Å; I564-C567 PolarHBondContact O-SG 3.31Å; I564-C567 VanDerWaalsContact O-SG 3.39Å; I564-T631 VanDerWaalsContact O-CA 3.25Å; I564-T631 WeakPolarHBondContact O-CA 3.47Å; I564-A632 HydrophobicContact CB-CB 4.36Å; I564-A632 WeakPolarHBondContact CD1-O 3.14Å; I564-A632 PolarHBondContact N-O 3.04Å; I564-A632 PolarHBondContact O-N 3.1Å; I564-F634 HydrophobicContact CD1-CD1 4.3Å; I564-F634 HydrophobicContact CD1-CE1 3.43Å; I564-F634 VanDerWaalsContact CD1-CE1 3.43Å; I564-F634 HydrophobicContact CD1-CZ 3.89Å |
| 565 | I | 92.5 | Very high | 88 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -5.2 | -161.3 | 61.4 | 171.4 | 0 | 0 | 0 | 115.6 | L277 P278 N563 N607 Y609 Y629 Y630 T631 | L277-I565 HydrophobicContact CD2-CD1 3.73Å; L277-I565 HydrophobicContact CD2-CG1 3.9Å; P278-I565 HydrophobicContact CG-CD1 4.03Å; N563-I565 HydrophobicContact CB-CG2 3.99Å; I565-N607 PolarHBondContact O-ND2 3.43Å; I565-Y609 HydrophobicContact CB-CD2 4.09Å; I565-Y609 HydrophobicContact CB-CE2 3.89Å; I565-Y609 HydrophobicContact CD1-CD2 4.22Å; I565-Y609 HydrophobicContact CD1-CE2 3.68Å; I565-Y609 HydrophobicContact CG1-CE2 4.32Å; I565-Y609 HydrophobicContact CG2-CE2 4.1Å; I565-Y629 WeakPolarHBondContact O-CB 3.18Å; I565-Y630 CarbonylContact C-O 3.6Å; I565-Y630 VanDerWaalsContact C-O 3.27Å; I565-T631 HydrophobicContact CG2-CG2 4.1Å |
| 566 | N | 90.4 | Very high | 88.6 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 51% | 0.513 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 21.8 | -177.6 | 68.9 | -23.8 | 0 | 0 | 0 | 112.7 | L277 | L277-N566 HydrophobicContact CD1-CB 4.36Å |
| 567 | C | 91.5 | Very high | 89.1 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 145.9 | 179.8 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | I564 Y604 Y630 | I564-C567 PolarHBondContact O-SG 3.31Å; I564-C567 VanDerWaalsContact O-SG 3.39Å; C567-Y604 HydrophobicContact CB-CE2 3.7Å; C567-Y604 VanDerWaalsContact CB-OH 3.24Å; C567-Y604 WeakPolarHBondContact CB-OH 3.31Å; C567-Y630 VanDerWaalsContact CB-O 3.25Å; C567-Y630 WeakPolarHBondContact CB-O 3.47Å; C567-Y630 PolarHBondContact N-O 2.91Å; C567-Y630 PolarHBondContact O-N 2.75Å |
| 568 | V | 85.1 | Confident | 89.7 | Confident | 66 Ų | 66 | 44.4 Ų | 44.4 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | trans | -111.7 | -27.3 | -173.2 | 172 | 0 | 0 | 0 | 0 | 113.2 | Y629 | V568-Y629 HydrophobicContact CG2-CD1 4.21Å; V568-Y629 HydrophobicContact CG2-CE1 4.13Å | ||
| 569 | K | 82.4 | Confident | 90.1 | Very high | 85 Ų | 85 | 41.8 Ų | 41.8 | 37% | 0.37 | 23% | 0.225 | S | C | . | . | trans | -67.2 | 140 | -178.1 | -70.5 | -178.2 | 173.9 | 177.5 | 0 | 110 | R571 Y604 Y630 S818 | K569-R571 PolarHBondContact O-N 3.48Å; K569-Y604 WeakPolarHBondContact O-CE1 3.32Å; K569-Y604 VanDerWaalsContact O-CZ 3.25Å; K569-Y604 PolarHBondContact O-OH 3.36Å; K569-Y630 WeakPolarHBondContact O-CD2 3.45Å; K569-S818 WeakPolarHBondContact CD-OG 3.07Å; K569-S818 PolarHBondContact NZ-OG 2.71Å | ||
| 570 | T | 80.7 | Confident | 90.3 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 14% | 0.135 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -72.1 | -17.1 | 178.8 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | D305 Y630 | D305-T570 HydrophobicContact CB-CG2 3.84Å; T570-Y630 HydrophobicContact CG2-CE2 4.3Å; T570-Y630 WeakPolarHBondContact CG2-OH 3.44Å |
| 571 | R | 80.9 | Confident | 90.5 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 20% | 0.2 | 19% | 0.194 | C | C | . | . | trans | -140.4 | 147.7 | -174.4 | -61.8 | 176.2 | -175.6 | 175.2 | -3 | 111 | E308 S311 I312 K569 R819 | E308-R571 PolarHBondContact O-NH2 2.8Å; S311-R571 PolarHBondContact OG-NH2 3.03Å; I312-R571 VanDerWaalsContact CG1-CZ 3.41Å; I312-R571 VanDerWaalsContact CG1-NH2 3.35Å; K569-R571 PolarHBondContact O-N 3.48Å; R571-R819 HydrophobicContact CB-CG 4.06Å | ||
| 572 | S | 89.3 | Confident | 90.6 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | trans | -145.6 | 149.5 | 174.6 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | Y574 N575 | S572-Y574 PolarHBondContact O-N 3.3Å; S572-Y574 WeakPolarHBondContact OG-CD2 3.22Å; S572-Y574 PolarHBondContact OG-N 3.16Å; S572-N575 PolarHBondContact O-N 3.07Å | ||
| 573 | L | 93.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -72.2 | -4.6 | 175.2 | -71.7 | 160.7 | 0 | 0 | 0 | 113.9 | N575 S576 G577 M578 S818 K821 S897 A899 | L573-N575 PolarHBondContact O-N 3.1Å; L573-S576 CarbonylContact O-C 3.47Å; L573-S576 WeakPolarHBondContact O-CA 3.38Å; L573-S576 PolarHBondContact O-N 3.19Å; L573-G577 PolarHBondContact O-N 3.49Å; L573-M578 HydrophobicContact CB-CB 4.03Å; L573-M578 HydrophobicContact CB-SD 3.97Å; L573-M578 WeakPolarHBondContact O-CB 3.46Å; L573-M578 PolarHBondContact O-N 2.97Å; L573-M578 VanDerWaalsContact O-N 3.11Å; L573-S818 WeakPolarHBondContact CG-O 3.46Å; L573-S818 PolarHBondContact N-O 2.96Å; L573-K821 HydrophobicContact CD2-CG 4.32Å; L573-S897 WeakPolarHBondContact CD1-OG 3.49Å; L573-A899 HydrophobicContact CB-CB 3.78Å; L573-A899 HydrophobicContact CD1-CB 3.77Å; L573-A899 HydrophobicContact CD2-CB 4.28Å; L573-A899 HydrophobicContact CG-CB 4.15Å |
| 574 | Y | 92.8 | Very high | 90.3 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -54.2 | -40.1 | 167.3 | -78.5 | -56.3 | 0 | 0 | 0 | 111.3 | S572 S576 G577 M578 C602 Y604 A632 Y649 | S572-Y574 PolarHBondContact O-N 3.3Å; S572-Y574 WeakPolarHBondContact OG-CD2 3.22Å; S572-Y574 PolarHBondContact OG-N 3.16Å; Y574-S576 PolarHBondContact O-N 3.02Å; Y574-G577 PolarHBondContact O-N 3.02Å; Y574-M578 HydrophobicContact CD1-CB 4.36Å; Y574-M578 HydrophobicContact CD1-CG 4.45Å; Y574-M578 VanDerWaalsContact CD1-O 3.31Å; Y574-M578 WeakPolarHBondContact CD1-O 3.3Å; Y574-M578 HydrophobicContact CE1-CG 4.44Å; Y574-C602 HydrophobicContact CD1-CB 4.12Å; Y574-Y604 HydrophobicContact CD2-CD2 4.48Å; Y574-A632 HydrophobicContact CD2-CB 3.95Å; Y574-A632 HydrophobicContact CE2-CB 3.79Å; Y574-Y649 HydrophobicContact CE2-CD2 4.13Å; Y574-Y649 AromaticContact CE2-CE2 3.86Å; Y574-Y649 HydrophobicContact CE2-CE2 3.86Å |
| 575 | N | 89.6 | Confident | 89.9 | Confident | 47 Ų | 47 | 25.7 Ų | 25.7 | 25% | 0.251 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -72.7 | 5.3 | 173.4 | -66.5 | -10.6 | 0 | 0 | 0 | 113.6 | F483 S572 L573 Y604 | F483-N575 WeakPolarHBondContact CD2-O 3.43Å; F483-N575 WeakPolarHBondContact CE2-O 3.42Å; S572-N575 PolarHBondContact O-N 3.07Å; L573-N575 PolarHBondContact O-N 3.1Å; N575-Y604 PolarHBondContact ND2-O 3.1Å; N575-Y604 PolarHBondContact OD1-N 2.97Å; N575-Y604 PolarHBondContact OD1-O 3.29Å |
| 576 | S | 89.3 | Confident | 89.7 | Confident | 47 Ų | 47 | 25.1 Ų | 25.1 | 33% | 0.329 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -129.1 | 23.7 | 179 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | L573 Y574 | L573-S576 CarbonylContact O-C 3.47Å; L573-S576 WeakPolarHBondContact O-CA 3.38Å; L573-S576 PolarHBondContact O-N 3.19Å; Y574-S576 PolarHBondContact O-N 3.02Å |
| 577 | G | 92.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | 5.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L481 K482 L573 Y574 | L481-G577 WeakPolarHBondContact CD2-O 3.41Å; K482-G577 PolarHBondContact N-O 2.98Å; K482-G577 VanDerWaalsContact O-CA 3.29Å; K482-G577 WeakPolarHBondContact O-CA 3.45Å; L573-G577 PolarHBondContact O-N 3.49Å; Y574-G577 PolarHBondContact O-N 3.02Å |
| 578 | M | 95.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -64.2 | 145.1 | 171 | -175.7 | 177.9 | 160.3 | 0 | 0 | 110.6 | L573 Y574 Y649 A899 | L573-M578 HydrophobicContact CB-CB 4.03Å; L573-M578 HydrophobicContact CB-SD 3.97Å; L573-M578 WeakPolarHBondContact O-CB 3.46Å; L573-M578 PolarHBondContact O-N 2.97Å; L573-M578 VanDerWaalsContact O-N 3.11Å; Y574-M578 HydrophobicContact CD1-CB 4.36Å; Y574-M578 HydrophobicContact CD1-CG 4.45Å; Y574-M578 VanDerWaalsContact CD1-O 3.31Å; Y574-M578 WeakPolarHBondContact CD1-O 3.3Å; Y574-M578 HydrophobicContact CE1-CG 4.44Å; M578-Y649 HydrophobicContact CE-CD2 3.91Å; M578-Y649 HydrophobicContact CE-CE1 4.23Å; M578-Y649 HydrophobicContact CE-CE2 3.57Å; M578-Y649 HydrophobicContact CE-CG 4.37Å; M578-Y649 WeakPolarHBondContact CE-O 2.87Å; M578-Y649 HydrophobicContact SD-CE2 4.44Å; M578-A899 HydrophobicContact CB-CB 3.76Å; M578-A899 HydrophobicContact CG-CB 4.11Å; M578-A899 HydrophobicContact SD-CB 4.36Å | ||
| 579 | Q | 96.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | trans | -123.2 | 153.9 | 170.5 | -67.3 | 173.3 | -86.5 | 0 | 0 | 109.9 | R597 S598 G599 Q910 | Q579-R597 HydrophobicContact CB-CB 4.21Å; Q579-R597 WeakPolarHBondContact O-CD 3.14Å; Q579-R597 PolarHBondContact O-NH1 2.97Å; Q579-S598 WeakPolarHBondContact CB-O 3.49Å; Q579-G599 PolarHBondContact NE2-O 2.97Å; Q579-Q910 VanDerWaalsContact N-OE1 3.16Å | ||
| 580 | P | 95.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | trans | -62.5 | 165.4 | 167.3 | 31.1 | -36.7 | 0 | 0 | 0 | 110.3 | R597 S598 F634 | P580-R597 WeakPolarHBondContact O-CA 3.24Å; P580-S598 WeakPolarHBondContact CD-O 3.42Å; P580-S598 VanDerWaalsContact CG-O 3.24Å; P580-S598 WeakPolarHBondContact CG-O 3.33Å; P580-S598 PolarHBondContact O-N 2.75Å; P580-F634 HydrophobicContact CB-CE1 4.48Å; P580-F634 HydrophobicContact CB-CZ 4.44Å; P580-F634 HydrophobicContact CG-CD1 4.15Å; P580-F634 HydrophobicContact CG-CD2 3.88Å; P580-F634 HydrophobicContact CG-CE1 4.27Å; P580-F634 HydrophobicContact CG-CE2 4.02Å; P580-F634 HydrophobicContact CG-CG 3.95Å; P580-F634 HydrophobicContact CG-CZ 4.22Å | ||
| 581 | V | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 142.1 | 168.5 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | W595 V596 R597 F647 A648 Y651 | V581-W595 HydrophobicContact CB-CB 4.39Å; V581-W595 HydrophobicContact CB-CE3 3.99Å; V581-W595 HydrophobicContact CG2-CD2 4.42Å; V581-W595 HydrophobicContact CG2-CE3 3.63Å; V581-W595 HydrophobicContact CG2-CZ3 4.13Å; V581-V596 CarbonylContact C-O 3.2Å; V581-V596 WeakPolarHBondContact CA-O 3.3Å; V581-R597 HydrophobicContact CG1-CG 4.29Å; V581-F647 WeakPolarHBondContact O-CA 3.34Å; V581-A648 HydrophobicContact CG2-CB 3.73Å; V581-A648 WeakPolarHBondContact CG2-O 3.42Å; V581-A648 PolarHBondContact N-O 3.12Å; V581-A648 PolarHBondContact O-N 2.68Å; V581-Y651 HydrophobicContact CB-CD1 4.47Å; V581-Y651 HydrophobicContact CG1-CD1 3.79Å; V581-Y651 HydrophobicContact CG1-CE1 3.56Å; V581-Y651 HydrophobicContact CG1-CG 4.37Å |
| 582 | V | 92.7 | Very high | 90 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 7% | 0.067 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.5 | -178.5 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | V596 L636 C645 Y646 F647 | V582-V596 PolarHBondContact N-O 2.96Å; V582-V596 WeakPolarHBondContact O-CG2 2.81Å; V582-V596 PolarHBondContact O-N 2.87Å; V582-L636 HydrophobicContact CG2-CD1 4.3Å; V582-L636 HydrophobicContact CG2-CD2 4Å; V582-C645 HydrophobicContact CG1-CB 4.26Å; V582-Y646 CarbonylContact C-O 3.6Å; V582-Y646 VanDerWaalsContact CA-O 3.23Å; V582-Y646 WeakPolarHBondContact CA-O 3.2Å; V582-F647 HydrophobicContact CB-CD1 4.35Å; V582-F647 HydrophobicContact CG1-CD1 3.89Å; V582-F647 HydrophobicContact CG1-CE1 3.72Å; V582-F647 HydrophobicContact CG2-CD1 3.73Å; V582-F647 HydrophobicContact CG2-CE1 4.17Å |
| 583 | F | 90.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.8 | 170.8 | -171.3 | -76.1 | 0 | 0 | 0 | 108.7 | F466 P467 L472 V585 A588 W595 C645 Y646 | F466-F583 AromaticContact CD1-CE1 3.71Å; F466-F583 HydrophobicContact CD1-CE1 3.71Å; F466-F583 HydrophobicContact CD1-CZ 4.15Å; F466-F583 HydrophobicContact CE1-CE1 4Å; F466-F583 HydrophobicContact CE1-CZ 4.25Å; P467-F583 HydrophobicContact CB-CD1 4.3Å; P467-F583 HydrophobicContact CB-CD2 3.78Å; P467-F583 HydrophobicContact CB-CE1 4.3Å; P467-F583 HydrophobicContact CB-CE2 3.77Å; P467-F583 HydrophobicContact CB-CG 4.04Å; P467-F583 HydrophobicContact CB-CZ 4.04Å; P467-F583 HydrophobicContact CG-CB 4.1Å; P467-F583 HydrophobicContact CG-CD1 3.57Å; P467-F583 HydrophobicContact CG-CD2 3.86Å; P467-F583 HydrophobicContact CG-CE1 3.87Å; P467-F583 HydrophobicContact CG-CE2 4.12Å; P467-F583 HydrophobicContact CG-CG 3.57Å; P467-F583 HydrophobicContact CG-CZ 4.12Å; L472-F583 HydrophobicContact CB-CE2 4.03Å; L472-F583 HydrophobicContact CB-CZ 4.17Å; L472-F583 HydrophobicContact CD1-CZ 3.89Å; F583-V585 HydrophobicContact CE1-CG2 4.48Å; F583-A588 HydrophobicContact CE1-CB 3.81Å; F583-A588 HydrophobicContact CZ-CB 3.69Å; F583-W595 HydrophobicContact CB-CD2 3.8Å; F583-W595 HydrophobicContact CB-CE3 3.8Å; F583-W595 HydrophobicContact CB-CG 4.45Å; F583-W595 HydrophobicContact CB-CH2 4.05Å; F583-W595 HydrophobicContact CB-CZ2 4.01Å; F583-W595 HydrophobicContact CB-CZ3 3.93Å; F583-W595 AromaticContact CD2-CD1 3.94Å; F583-W595 HydrophobicContact CD2-CD2 4.27Å; F583-W595 HydrophobicContact CD2-CG 4.19Å; F583-W595 AromaticContact CD2-NE1 3.86Å; F583-C645 CarbonylContact O-C 3.46Å; F583-C645 WeakPolarHBondContact O-CA 3.21Å; F583-Y646 HydrophobicContact CB-CD2 4.33Å; F583-Y646 HydrophobicContact CD1-CD2 4.15Å; F583-Y646 PolarHBondContact N-O 3.2Å; F583-Y646 PolarHBondContact O-N 3.32Å |
| 584 | S | 89.2 | Confident | 89.5 | Confident | 19 Ų | 19 | 27.1 Ų | 27.1 | 13% | 0.133 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.7 | 174.1 | 160.5 | 0 | 0 | 0 | 0 | 109.2 | T586 E587 A588 D643 | S584-T586 VanDerWaalsContact C-N 3.3Å; S584-T586 PolarHBondContact OG-N 3.19Å; S584-E587 PolarHBondContact O-N 2.97Å; S584-E587 WeakPolarHBondContact OG-CG 3.37Å; S584-E587 PolarHBondContact OG-N 2.9Å; S584-A588 PolarHBondContact O-N 2.64Å; S584-A588 VanDerWaalsContact O-N 3.11Å; S584-D643 WeakPolarHBondContact CB-OD2 3.45Å; S584-D643 PolarHBondContact OG-OD1 3.28Å; S584-D643 PolarHBondContact OG-OD2 3.38Å |
| 585 | V | 85.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 110 | F466 L536 F583 A588 L589 M644 Y646 | F466-V585 HydrophobicContact CB-CG2 4.03Å; F466-V585 HydrophobicContact CD1-CB 4.45Å; F466-V585 HydrophobicContact CD1-CG1 4.2Å; F466-V585 HydrophobicContact CD1-CG2 3.84Å; F466-V585 HydrophobicContact CD2-CG1 4.03Å; F466-V585 HydrophobicContact CD2-CG2 4.43Å; F466-V585 HydrophobicContact CE1-CG1 4.07Å; F466-V585 HydrophobicContact CE1-CG2 4.43Å; F466-V585 HydrophobicContact CE2-CG1 3.89Å; F466-V585 HydrophobicContact CG-CG1 4.18Å; F466-V585 HydrophobicContact CG-CG2 3.85Å; F466-V585 HydrophobicContact CZ-CG1 3.92Å; L536-V585 HydrophobicContact CD1-CB 4.49Å; L536-V585 HydrophobicContact CD1-CG1 4.25Å; L536-V585 HydrophobicContact CD2-CG1 4.47Å; F583-V585 HydrophobicContact CE1-CG2 4.48Å; V585-A588 WeakPolarHBondContact O-CB 3.1Å; V585-A588 PolarHBondContact O-N 3.2Å; V585-L589 HydrophobicContact CG1-CD1 4.14Å; V585-L589 HydrophobicContact CG1-CG 4.46Å; V585-L589 WeakPolarHBondContact O-CG 3.14Å; V585-L589 PolarHBondContact O-N 2.99Å; V585-M644 HydrophobicContact CB-CB 4.14Å; V585-M644 HydrophobicContact CG1-CE 4.24Å; V585-M644 HydrophobicContact CG2-CB 3.84Å; V585-M644 WeakPolarHBondContact CG2-O 3.34Å; V585-M644 PolarHBondContact N-O 3.04Å; V585-Y646 HydrophobicContact CG2-CD2 4.46Å; V585-Y646 HydrophobicContact CG2-CE2 3.69Å |
| 586 | T | 87 | Confident | 89.7 | Confident | 26 Ų | 26 | 27.9 Ų | 27.9 | 16% | 0.16 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -46.7 | 177 | -55.2 | 0 | 0 | 0 | 0 | 112 | S584 A588 L589 L590 H640 D643 | S584-T586 VanDerWaalsContact C-N 3.3Å; S584-T586 PolarHBondContact OG-N 3.19Å; T586-A588 VanDerWaalsContact C-N 3.27Å; T586-A588 PolarHBondContact O-N 2.8Å; T586-L589 PolarHBondContact O-N 3.28Å; T586-L590 HydrophobicContact CG2-CD1 3.96Å; T586-L590 HydrophobicContact CG2-CG 4.38Å; T586-L590 WeakPolarHBondContact O-CB 3.46Å; T586-L590 VanDerWaalsContact O-CG 3.26Å; T586-L590 WeakPolarHBondContact O-CG 3.36Å; T586-L590 PolarHBondContact O-N 2.79Å; T586-H640 HydrophobicContact CG2-CB 4.01Å; T586-D643 VanDerWaalsContact CB-OD1 3.23Å; T586-D643 WeakPolarHBondContact CB-OD1 3.36Å; T586-D643 PolarHBondContact N-OD1 3.18Å; T586-D643 PolarHBondContact OG1-OD1 2.93Å |
| 587 | E | 88.8 | Confident | 89.9 | Confident | 22 Ų | 22 | 26 Ų | 26 | 10% | 0.103 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.7 | -39.4 | 175.5 | -73.4 | -74.1 | 117.2 | 0 | 0 | 111.8 | S584 L590 G591 R592 R639 H640 | S584-E587 PolarHBondContact O-N 2.97Å; S584-E587 WeakPolarHBondContact OG-CG 3.37Å; S584-E587 PolarHBondContact OG-N 2.9Å; E587-L590 CarbonylContact O-C 3.59Å; E587-L590 PolarHBondContact O-N 3.43Å; E587-G591 PolarHBondContact O-N 3.05Å; E587-R592 CarbonylContact C-O 3.52Å; E587-R592 VanDerWaalsContact CD-NH2 3.31Å; E587-R592 CarbonylContact O-C 3.59Å; E587-R592 WeakPolarHBondContact O-CA 3.42Å; E587-R592 WeakPolarHBondContact O-CB 3.3Å; E587-R592 PolarHBondContact O-N 3.07Å; E587-R592 IonicContact OE1-CZ 2.69Å; E587-R592 IonicContact OE1-NE 2.87Å; E587-R592 IonicContact OE1-NH2 2.78Å; E587-R592 PolarHBondContact OE1-NH2 2.89Å; E587-R592 IonicContact OE2-CZ 2.58Å; E587-R592 IonicContact OE2-NE 2.71Å; E587-R592 PolarHBondContact OE2-NE 3.39Å; E587-R592 IonicContact OE2-NH2 3.94Å; E587-R592 PolarHBondContact OE2-NH2 3.14Å; E587-R639 IonicContact OE2-NH1 2.96Å; E587-R639 PolarHBondContact OE2-NH1 3.2Å; E587-H640 IonicContact OE1-CD2 3.62Å; E587-H640 IonicContact OE1-CE1 3.77Å; E587-H640 PolarHBondContact OE1-CE1 3.27Å; E587-H640 IonicContact OE1-NE2 2.71Å; E587-H640 PolarHBondContact OE1-NE2 3.3Å |
| 588 | A | 86.4 | Confident | 89.9 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F466 L472 F583 S584 V585 T586 L590 G591 P593 | F466-A588 HydrophobicContact CE1-CB 3.97Å; L472-A588 HydrophobicContact CD1-CB 4.1Å; F583-A588 HydrophobicContact CE1-CB 3.81Å; F583-A588 HydrophobicContact CZ-CB 3.69Å; S584-A588 PolarHBondContact O-N 2.64Å; S584-A588 VanDerWaalsContact O-N 3.11Å; V585-A588 WeakPolarHBondContact O-CB 3.1Å; V585-A588 PolarHBondContact O-N 3.2Å; T586-A588 VanDerWaalsContact C-N 3.27Å; T586-A588 PolarHBondContact O-N 2.8Å; A588-L590 VanDerWaalsContact C-N 3.29Å; A588-L590 PolarHBondContact O-N 2.8Å; A588-G591 PolarHBondContact O-N 3.45Å; A588-G591 VanDerWaalsContact O-N 3.13Å; A588-P593 HydrophobicContact CB-CB 4.03Å |
| 589 | L | 84.9 | Confident | 89.8 | Confident | 89 Ų | 89 | 28 Ų | 28 | 47% | 0.466 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -69.3 | -27.2 | 176.3 | -66 | 175.7 | 0 | 0 | 0 | 113 | F466 L533 L536 V585 T586 G591 | F466-L589 HydrophobicContact CZ-CD2 4.13Å; F466-L589 HydrophobicContact CZ-CG 4.42Å; L533-L589 HydrophobicContact CD2-CD1 3.81Å; L533-L589 HydrophobicContact CD2-CD2 3.98Å; L533-L589 HydrophobicContact CD2-CG 4.45Å; L536-L589 HydrophobicContact CD2-CD1 3.28Å; V585-L589 HydrophobicContact CG1-CD1 4.14Å; V585-L589 HydrophobicContact CG1-CG 4.46Å; V585-L589 WeakPolarHBondContact O-CG 3.14Å; V585-L589 PolarHBondContact O-N 2.99Å; T586-L589 PolarHBondContact O-N 3.28Å; L589-G591 PolarHBondContact O-N 3.09Å |
| 590 | L | 87.8 | Confident | 89.6 | Confident | 94 Ų | 94 | 35.2 Ų | 35.2 | 49% | 0.492 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 14.9 | 171.1 | -65.7 | 175 | 0 | 0 | 0 | 113.3 | T586 E587 A588 R592 | T586-L590 HydrophobicContact CG2-CD1 3.96Å; T586-L590 HydrophobicContact CG2-CG 4.38Å; T586-L590 WeakPolarHBondContact O-CB 3.46Å; T586-L590 VanDerWaalsContact O-CG 3.26Å; T586-L590 WeakPolarHBondContact O-CG 3.36Å; T586-L590 PolarHBondContact O-N 2.79Å; E587-L590 CarbonylContact O-C 3.59Å; E587-L590 PolarHBondContact O-N 3.43Å; A588-L590 VanDerWaalsContact C-N 3.29Å; A588-L590 PolarHBondContact O-N 2.8Å; L590-R592 PolarHBondContact O-N 3.43Å; L590-R592 PolarHBondContact O-NH1 3.37Å |
| 591 | G | 83.9 | Confident | 89.5 | Confident | 55 Ų | 55 | 37.1 Ų | 37.1 | 57% | 0.567 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 14.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E587 A588 L589 P593 | E587-G591 PolarHBondContact O-N 3.05Å; A588-G591 PolarHBondContact O-N 3.45Å; A588-G591 VanDerWaalsContact O-N 3.13Å; L589-G591 PolarHBondContact O-N 3.09Å; G591-P593 WeakPolarHBondContact O-CD 3.49Å |
| 592 | R | 86.2 | Confident | 89.4 | Confident | 125 Ų | 125 | 37.2 Ų | 37.2 | 47% | 0.472 | 20% | 0.202 | S | C | . | . | trans | -121 | 58.7 | 177.4 | -61.6 | -176.7 | -61.7 | -77 | 1.8 | 111.6 | E587 L590 | E587-R592 CarbonylContact C-O 3.52Å; E587-R592 VanDerWaalsContact CD-NH2 3.31Å; E587-R592 CarbonylContact O-C 3.59Å; E587-R592 WeakPolarHBondContact O-CA 3.42Å; E587-R592 WeakPolarHBondContact O-CB 3.3Å; E587-R592 PolarHBondContact O-N 3.07Å; E587-R592 IonicContact OE1-CZ 2.69Å; E587-R592 IonicContact OE1-NE 2.87Å; E587-R592 IonicContact OE1-NH2 2.78Å; E587-R592 PolarHBondContact OE1-NH2 2.89Å; E587-R592 IonicContact OE2-CZ 2.58Å; E587-R592 IonicContact OE2-NE 2.71Å; E587-R592 PolarHBondContact OE2-NE 3.39Å; E587-R592 IonicContact OE2-NH2 3.94Å; E587-R592 PolarHBondContact OE2-NH2 3.14Å; L590-R592 PolarHBondContact O-N 3.43Å; L590-R592 PolarHBondContact O-NH1 3.37Å | ||
| 593 | P | 86.1 | Confident | 89.4 | Confident | 16 Ų | 16 | 37 Ų | 37 | 10% | 0.104 | 20% | 0.201 | C | C | . | . | trans | -63.5 | 156.6 | 179.5 | 28.5 | -35.4 | 0 | 0 | 0 | 111.7 | P438 L472 P474 A588 G591 | P438-P593 HydrophobicContact CB-CG 3.94Å; L472-P593 HydrophobicContact CB-CB 4.01Å; L472-P593 HydrophobicContact CD1-CB 3.88Å; L472-P593 HydrophobicContact CD2-CB 3.81Å; L472-P593 HydrophobicContact CD2-CG 4.1Å; L472-P593 HydrophobicContact CG-CB 4.09Å; P474-P593 HydrophobicContact CG-CB 4.35Å; P474-P593 HydrophobicContact CG-CG 4.21Å; P474-P593 WeakPolarHBondContact CG-O 3.48Å; A588-P593 HydrophobicContact CB-CB 4.03Å; G591-P593 WeakPolarHBondContact O-CD 3.49Å | ||
| 594 | G | 87.1 | Confident | 89.5 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 6% | 0.062 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 134.3 | 158.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | V596 | G594-V596 PolarHBondContact O-N 3.04Š|
| 595 | W | 91.6 | Very high | 89.5 | Confident | 16 Ų | 16 | 37.2 Ų | 37.2 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | trans | -80.4 | 103 | 176.3 | -73.2 | 94.5 | 0 | 0 | 0 | 110.7 | P467 Y473 L476 V581 F583 Y646 A648 Y651 P652 | P467-W595 HydrophobicContact CB-CZ2 4.07Å; P467-W595 HydrophobicContact CG-CZ2 3.94Å; Y473-W595 AromaticContact CD1-CD1 3.98Å; Y473-W595 AromaticContact CE1-CD1 3.81Å; Y473-W595 AromaticContact CE1-NE1 3.78Å; L476-W595 WeakPolarHBondContact CD1-O 3.49Å; V581-W595 HydrophobicContact CB-CB 4.39Å; V581-W595 HydrophobicContact CB-CE3 3.99Å; V581-W595 HydrophobicContact CG2-CD2 4.42Å; V581-W595 HydrophobicContact CG2-CE3 3.63Å; V581-W595 HydrophobicContact CG2-CZ3 4.13Å; F583-W595 HydrophobicContact CB-CD2 3.8Å; F583-W595 HydrophobicContact CB-CE3 3.8Å; F583-W595 HydrophobicContact CB-CG 4.45Å; F583-W595 HydrophobicContact CB-CH2 4.05Å; F583-W595 HydrophobicContact CB-CZ2 4.01Å; F583-W595 HydrophobicContact CB-CZ3 3.93Å; F583-W595 AromaticContact CD2-CD1 3.94Å; F583-W595 HydrophobicContact CD2-CD2 4.27Å; F583-W595 HydrophobicContact CD2-CG 4.19Å; F583-W595 AromaticContact CD2-NE1 3.86Å; W595-Y646 VanDerWaalsContact CH2-CB 3.47Å; W595-Y646 HydrophobicContact CH2-CG 4.49Å; W595-Y646 WeakPolarHBondContact CZ3-O 3.37Å; W595-A648 HydrophobicContact CH2-CB 4.33Å; W595-A648 HydrophobicContact CZ3-CB 4Å; W595-Y651 HydrophobicContact CB-CD1 3.8Å; W595-Y651 HydrophobicContact CB-CE1 4.22Å; W595-Y651 WeakPolarHBondContact O-CE1 3.22Å; W595-P652 HydrophobicContact CD2-CG 4.4Å; W595-P652 HydrophobicContact CH2-CG 3.83Å; W595-P652 HydrophobicContact CZ2-CG 3.61Å; W595-P652 HydrophobicContact CZ3-CG 4.34Å | ||
| 596 | V | 93 | Very high | 89.6 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 34% | 0.339 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 140.8 | 179.7 | -66.8 | 0 | 0 | 0 | 0 | 111.1 | L476 V581 V582 G594 S598 | L476-V596 HydrophobicContact CD1-CG1 3.73Å; V581-V596 CarbonylContact C-O 3.2Å; V581-V596 WeakPolarHBondContact CA-O 3.3Å; V582-V596 PolarHBondContact N-O 2.96Å; V582-V596 WeakPolarHBondContact O-CG2 2.81Å; V582-V596 PolarHBondContact O-N 2.87Å; G594-V596 PolarHBondContact O-N 3.04Å; V596-S598 PolarHBondContact O-N 2.74Å |
| 597 | R | 94.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 128.7 | 166.3 | -64.4 | -74.2 | -176.7 | 160.2 | 15.6 | 108.3 | Q479 Q579 P580 V581 H650 Y651 Y898 Q910 M911 | Q479-R597 VanDerWaalsContact OE1-CB 3.31Å; Q479-R597 PolarHBondContact OE1-O 2.69Å; Q579-R597 HydrophobicContact CB-CB 4.21Å; Q579-R597 WeakPolarHBondContact O-CD 3.14Å; Q579-R597 PolarHBondContact O-NH1 2.97Å; P580-R597 WeakPolarHBondContact O-CA 3.24Å; V581-R597 HydrophobicContact CG1-CG 4.29Å; R597-H650 PolarHBondContact NH2-CE1 3.24Å; R597-H650 PolarHBondContact NH2-ND1 2.85Å; R597-Y651 PolarHBondContact NE-OH 3.11Å; R597-Y898 PolarHBondContact NH1-O 2.74Å; R597-Y898 PolarHBondContact NH2-O 2.92Å; R597-Q910 VanDerWaalsContact CD-OE1 3.27Å; R597-Q910 HydrophobicContact CG-CB 4.37Å; R597-M911 PolarHBondContact NH2-O 3.29Å |
| 598 | S | 93.4 | Very high | 89.5 | Confident | 38 Ų | 38 | 38 Ų | 38 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | trans | -148.4 | 163.2 | -177.5 | -165.9 | 0 | 0 | 0 | 0 | 111.1 | Q579 P580 V596 L636 | Q579-S598 WeakPolarHBondContact CB-O 3.49Å; P580-S598 WeakPolarHBondContact CD-O 3.42Å; P580-S598 VanDerWaalsContact CG-O 3.24Å; P580-S598 WeakPolarHBondContact CG-O 3.33Å; P580-S598 PolarHBondContact O-N 2.75Å; V596-S598 PolarHBondContact O-N 2.74Å; S598-L636 WeakPolarHBondContact OG-CD2 3.3Å | ||
| 599 | G | 92.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 39 Ų | 39 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | trans | 115 | 144.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q579 T635 | Q579-G599 PolarHBondContact NE2-O 2.97Å; G599-T635 CarbonylContact C-O 3.6Å; G599-T635 VanDerWaalsContact CA-O 3.3Å; G599-T635 WeakPolarHBondContact CA-O 3.46Å | ||
| 600 | R | 92.7 | Very high | 89.6 | Confident | 152 Ų | 152 | 36.1 Ų | 36.1 | 57% | 0.574 | 19% | 0.189 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 165.9 | 171.2 | -64.9 | -175.1 | 174.8 | -176.4 | -1.8 | 108.4 | Y484 C602 T635 | Y484-R600 HydrophobicContact CE1-CB 4.45Å; R600-C602 PolarHBondContact O-N 3.39Å; R600-C602 VanDerWaalsContact O-N 3.15Å; R600-T635 PolarHBondContact N-O 2.96Å; R600-T635 PolarHBondContact O-N 3.2Å |
| 601 | S | 92 | Very high | 89.2 | Confident | 42 Ų | 42 | 32.8 Ų | 32.8 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.7 | 41.4 | 176.3 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | T487 V603 | T487-S601 WeakPolarHBondContact CG2-O 3.27Å; S601-V603 PolarHBondContact O-N 3.31Å |
| 602 | C | 93.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 124.5 | 178.4 | -61.3 | 0 | 0 | 0 | 0 | 108.9 | Y484 Y574 R600 S633 F634 | Y484-C602 HydrophobicContact CD2-CB 4.3Å; Y574-C602 HydrophobicContact CD1-CB 4.12Å; R600-C602 PolarHBondContact O-N 3.39Å; R600-C602 VanDerWaalsContact O-N 3.15Å; C602-S633 CarbonylContact C-O 3.56Å; C602-S633 VanDerWaalsContact CA-O 3.32Å; C602-S633 WeakPolarHBondContact CA-O 3.01Å; C602-F634 HydrophobicContact CB-CB 4.49Å |
| 603 | V | 92.4 | Very high | 86.9 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.03 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 149.2 | -179.2 | 67.7 | 0 | 0 | 0 | 0 | 111.3 | T487 L488 M491 S601 Y605 S633 | T487-V603 HydrophobicContact CG2-CB 3.8Å; T487-V603 HydrophobicContact CG2-CG1 3.53Å; L488-V603 HydrophobicContact CB-CG2 4.02Å; L488-V603 HydrophobicContact CD1-CG2 4.36Å; M491-V603 HydrophobicContact SD-CG1 3.57Å; M491-V603 VanDerWaalsContact SD-CG1 3.57Å; S601-V603 PolarHBondContact O-N 3.31Å; V603-Y605 HydrophobicContact CG1-CD1 4.05Å; V603-Y605 HydrophobicContact CG1-CE1 4.15Å; V603-Y605 HydrophobicContact CG2-CD1 4.33Å; V603-S633 PolarHBondContact N-O 3.1Å; V603-S633 PolarHBondContact O-N 3.08Å |
| 604 | Y | 92 | Very high | 84.9 | Confident | 12 Ų | 12 | 33.2 Ų | 33.2 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.2 | 175.9 | -171.7 | -94.4 | 0 | 0 | 0 | 110.7 | C567 K569 Y574 N575 Y630 T631 A632 | C567-Y604 HydrophobicContact CB-CE2 3.7Å; C567-Y604 VanDerWaalsContact CB-OH 3.24Å; C567-Y604 WeakPolarHBondContact CB-OH 3.31Å; K569-Y604 WeakPolarHBondContact O-CE1 3.32Å; K569-Y604 VanDerWaalsContact O-CZ 3.25Å; K569-Y604 PolarHBondContact O-OH 3.36Å; Y574-Y604 HydrophobicContact CD2-CD2 4.48Å; N575-Y604 PolarHBondContact ND2-O 3.1Å; N575-Y604 PolarHBondContact OD1-N 2.97Å; N575-Y604 PolarHBondContact OD1-O 3.29Å; Y604-Y630 HydrophobicContact CD1-CD1 4.49Å; Y604-Y630 AromaticContact CE1-CD1 3.77Å; Y604-Y630 HydrophobicContact CE1-CD1 3.77Å; Y604-Y630 AromaticContact CE1-CG 3.92Å; Y604-Y630 HydrophobicContact CE1-CG 3.92Å; Y604-Y630 VanDerWaalsContact CZ-CB 3.41Å; Y604-Y630 VanDerWaalsContact OH-CB 3.22Å; Y604-Y630 WeakPolarHBondContact OH-CB 3.16Å; Y604-T631 VanDerWaalsContact CA-O 3.27Å; Y604-T631 WeakPolarHBondContact CA-O 3.29Å; Y604-T631 WeakPolarHBondContact CD2-O 3.09Å; Y604-A632 HydrophobicContact CD2-CB 3.8Å; Y604-A632 HydrophobicContact CE2-CB 4.21Å |
| 605 | Y | 89.2 | Confident | 82.8 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 157.9 | -172.8 | 61.5 | -86.9 | 0 | 0 | 0 | 112.2 | L269 L488 M491 L495 V603 N607 Y630 T631 | L269-Y605 HydrophobicContact CD1-CD2 3.55Å; L269-Y605 HydrophobicContact CD1-CE2 4.17Å; L269-Y605 HydrophobicContact CD1-CG 4.17Å; L269-Y605 HydrophobicContact CD2-CD2 4.48Å; L269-Y605 HydrophobicContact CD2-CE2 4.39Å; L488-Y605 HydrophobicContact CD1-CD1 3.56Å; L488-Y605 HydrophobicContact CD1-CD2 3.93Å; L488-Y605 HydrophobicContact CD1-CE1 4.2Å; L488-Y605 HydrophobicContact CD1-CG 3.4Å; M491-Y605 HydrophobicContact CE-CE1 3.62Å; M491-Y605 WeakPolarHBondContact CE-OH 3.47Å; M491-Y605 HydrophobicContact SD-CE1 4.32Å; L495-Y605 HydrophobicContact CD1-CE2 3.68Å; L495-Y605 WeakPolarHBondContact CD1-OH 3.26Å; V603-Y605 HydrophobicContact CG1-CD1 4.05Å; V603-Y605 HydrophobicContact CG1-CE1 4.15Å; V603-Y605 HydrophobicContact CG2-CD1 4.33Å; Y605-N607 HydrophobicContact CE2-CB 4.3Å; Y605-Y630 CarbonylContact O-C 3.36Å; Y605-Y630 WeakPolarHBondContact O-CA 3.23Å; Y605-Y630 WeakPolarHBondContact O-CB 3.38Å; Y605-T631 HydrophobicContact CE1-CG2 3.85Å; Y605-T631 PolarHBondContact N-O 3.17Å; Y605-T631 PolarHBondContact O-N 2.66Å |
| 606 | R | 86.5 | Confident | 80.4 | Confident | 57 Ų | 57 | 43.4 Ų | 43.4 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 129.1 | 172.2 | -178.5 | 178.9 | 174.9 | 159.1 | -3.6 | 109.2 | E309 S628 Y630 | E309-R606 IonicContact OE1-CZ 3.75Å; E309-R606 IonicContact OE1-NH1 3.36Å; E309-R606 PolarHBondContact OE1-NH1 3.02Å; E309-R606 IonicContact OE2-NH1 3.93Å; E309-R606 PolarHBondContact OE2-NH1 2.87Å; R606-S628 VanDerWaalsContact NE-CB 3.31Å; R606-S628 PolarHBondContact NE-OG 2.92Å; R606-S628 PolarHBondContact NH2-OG 3.19Å; R606-Y630 HydrophobicContact CB-CD1 3.86Å; R606-Y630 HydrophobicContact CB-CE1 3.57Å; R606-Y630 HydrophobicContact CG-CE1 4.1Å |
| 607 | N | 88.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 176.7 | 179.1 | 67.5 | 35.2 | 0 | 0 | 0 | 111.9 | I565 Y605 Y609 S628 Y629 Y630 T631 | I565-N607 PolarHBondContact O-ND2 3.43Å; Y605-N607 HydrophobicContact CE2-CB 4.3Å; N607-Y609 VanDerWaalsContact C-N 3.29Å; N607-Y609 HydrophobicContact CB-CD2 4.27Å; N607-Y609 PolarHBondContact O-N 3.11Å; N607-Y609 WeakPolarHBondContact OD1-CB 3.18Å; N607-Y609 PolarHBondContact OD1-N 3.32Å; N607-S628 WeakPolarHBondContact O-CB 3.27Å; N607-Y629 PolarHBondContact N-O 3.12Å; N607-Y629 VanDerWaalsContact OD1-C 3.23Å; N607-Y629 WeakPolarHBondContact OD1-CB 3.35Å; N607-Y629 PolarHBondContact OD1-O 3.27Å; N607-Y630 PolarHBondContact ND2-O 2.88Å; N607-T631 WeakPolarHBondContact CB-OG1 3.46Å; N607-T631 PolarHBondContact ND2-OG1 3.15Å |
| 608 | F | 85.5 | Confident | 75 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 7.9 | -178.5 | 54.3 | -98 | 0 | 0 | 0 | 113.2 | L272 M274 C275 L495 V499 | L272-F608 HydrophobicContact CB-CB 4.19Å; L272-F608 HydrophobicContact CD1-CD1 4.1Å; M274-F608 CarbonylContact C-O 3.54Å; M274-F608 VanDerWaalsContact CA-O 3.28Å; M274-F608 WeakPolarHBondContact CA-O 3.43Å; C275-F608 HydrophobicContact CB-CD2 4.08Å; C275-F608 HydrophobicContact CB-CE2 4.46Å; C275-F608 PolarHBondContact N-O 3.27Å; L495-F608 HydrophobicContact CD2-CE1 4.2Å; V499-F608 HydrophobicContact CG2-CD1 3.52Å; V499-F608 HydrophobicContact CG2-CD2 3.73Å; V499-F608 HydrophobicContact CG2-CE1 3.42Å; V499-F608 VanDerWaalsContact CG2-CE1 3.42Å; V499-F608 HydrophobicContact CG2-CE2 3.64Å; V499-F608 HydrophobicContact CG2-CG 3.68Å; V499-F608 HydrophobicContact CG2-CZ 3.48Å; V499-F608 VanDerWaalsContact CG2-CZ 3.48Å |
| 609 | Y | 88.1 | Confident | 72.4 | Confident | 20 Ų | 20 | 53 Ų | 53 | 8% | 0.078 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.3 | 178.1 | -60.2 | -65 | 0 | 0 | 0 | 111.1 | C275 R276 L277 I565 N607 S628 Y629 | C275-Y609 HydrophobicContact CB-CD1 4.39Å; C275-Y609 CarbonylContact O-C 3.58Å; C275-Y609 WeakPolarHBondContact O-CA 3.44Å; R276-Y609 WeakPolarHBondContact O-CD1 2.99Å; R276-Y609 WeakPolarHBondContact O-CE1 2.82Å; L277-Y609 HydrophobicContact CD2-CD1 4.2Å; L277-Y609 HydrophobicContact CD2-CD2 3.89Å; L277-Y609 HydrophobicContact CD2-CG 3.7Å; L277-Y609 HydrophobicContact CG-CG 4.39Å; I565-Y609 HydrophobicContact CB-CD2 4.09Å; I565-Y609 HydrophobicContact CB-CE2 3.89Å; I565-Y609 HydrophobicContact CD1-CD2 4.22Å; I565-Y609 HydrophobicContact CD1-CE2 3.68Å; I565-Y609 HydrophobicContact CG1-CE2 4.32Å; I565-Y609 HydrophobicContact CG2-CE2 4.1Å; N607-Y609 VanDerWaalsContact C-N 3.29Å; N607-Y609 HydrophobicContact CB-CD2 4.27Å; N607-Y609 PolarHBondContact O-N 3.11Å; N607-Y609 WeakPolarHBondContact OD1-CB 3.18Å; N607-Y609 PolarHBondContact OD1-N 3.32Å; Y609-S628 CarbonylContact O-C 3.6Å; Y609-S628 VanDerWaalsContact O-CA 3.3Å; Y609-S628 WeakPolarHBondContact O-CA 3.34Å; Y609-Y629 PolarHBondContact O-N 3.12Å |
| 610 | S | 85.6 | Confident | 69.7 | Low | 29 Ų | 29 | 55.3 Ų | 55.3 | 20% | 0.203 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 137.1 | 177.8 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | M274 C275 Y629 | M274-S610 VanDerWaalsContact CE-CA 3.4Å; C275-S610 WeakPolarHBondContact O-CB 3.29Å; C275-S610 PolarHBondContact O-N 3.36Å; C275-S610 PolarHBondContact O-OG 3.49Å; S610-Y629 WeakPolarHBondContact O-CE2 3.38Å |
| 611 | R | 78.8 | Confident | 67.1 | Low | 25 Ų | 25 | 58.8 Ų | 58.8 | 9% | 0.094 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 105 | 169.6 | -177 | 176 | 67 | 158.3 | -4.7 | 108 | D305 T627 Y629 | D305-R611 IonicContact OD2-NH2 3.12Å; D305-R611 PolarHBondContact OD2-NH2 3.07Å; R611-T627 PolarHBondContact N-O 3.13Å; R611-T627 PolarHBondContact NE-OG1 3.28Å; R611-T627 PolarHBondContact NH2-OG1 3.09Å; R611-T627 VanDerWaalsContact NH2-OG1 3.08Å; R611-T627 PolarHBondContact O-N 2.76Å; R611-Y629 HydrophobicContact CB-CD2 4.05Å; R611-Y629 HydrophobicContact CB-CE1 4.32Å; R611-Y629 HydrophobicContact CB-CE2 3.65Å; R611-Y629 HydrophobicContact CG-CE1 4.17Å; R611-Y629 HydrophobicContact CG-CE2 4.14Å |
| 612 | S | 67 | Low | 64.8 | Low | 84 Ų | 84 | 59.3 Ų | 59.3 | 59% | 0.587 | 32% | 0.318 | S | S | * | . | trans | -88.7 | 117.7 | 171.8 | 56.3 | 0 | 0 | 0 | 0 | 109.9 | A614 | S612-A614 PolarHBondContact O-N 2.94Š| ||
| 613 | H | 54.9 | Low | 62.2 | Low | 51 Ų | 51 | 64.6 Ų | 64.6 | 24% | 0.236 | 35% | 0.353 | C | S | . | . | trans | -78.8 | 70.2 | 168.3 | -79.9 | -86 | 0 | 0 | 0 | 109.7 | K615 V616 | H613-K615 PolarHBondContact O-N 2.64Å; H613-K615 VanDerWaalsContact O-N 3.17Å; H613-V616 HydrophobicContact CB-CB 4.39Å | ||
| 614 | A | 45.7 | Very low | 59.9 | Low | 70 Ų | 70 | 70.7 Ų | 70.7 | 58% | 0.579 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -57 | -31.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S612 | S612-A614 PolarHBondContact O-N 2.94Å |
| 615 | K | 41.9 | Very low | 57.9 | Low | 187 Ų | 187 | 74.8 Ų | 74.8 | 81% | 0.813 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -94.9 | -18.2 | -172.8 | -71.9 | -177.5 | 178.2 | 173.9 | 0 | 116.2 | H613 | H613-K615 PolarHBondContact O-N 2.64Å; H613-K615 VanDerWaalsContact O-N 3.17Å |
| 616 | V | 41.7 | Very low | 56.6 | Low | 49 Ų | 49 | 79.3 Ų | 79.3 | 30% | 0.297 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -89.8 | -31.6 | -178.3 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | P299 H613 | P299-V616 HydrophobicContact CB-CG2 4.4Å; P299-V616 HydrophobicContact CG-CG1 4.24Å; P299-V616 HydrophobicContact CG-CG2 4.2Å; H613-V616 HydrophobicContact CB-CB 4.39Å |
| 617 | V | 34.3 | Very low | 56.1 | Low | 29 Ų | 29 | 78 Ų | 78 | 18% | 0.176 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -86.4 | -20.5 | -175.3 | -173.8 | 0 | 0 | 0 | 0 | 112.9 | R619 S620 A622 Q624 | V617-R619 PolarHBondContact O-N 3.21Å; V617-S620 CarbonylContact O-C 3.57Å; V617-S620 PolarHBondContact O-N 3.43Å; V617-A622 WeakPolarHBondContact CG1-O 3.31Å; V617-Q624 HydrophobicContact CB-CG 4.24Å; V617-Q624 HydrophobicContact CG1-CG 3.95Å; V617-Q624 HydrophobicContact CG2-CG 4.43Å |
| 618 | A | 39.4 | Very low | 55.7 | Low | 91 Ų | 91 | 78.2 Ų | 78.2 | 75% | 0.752 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -17.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 619 | R | 39.6 | Very low | 55.9 | Low | 182 Ų | 182 | 79 Ų | 79 | 69% | 0.687 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -6.9 | 176.4 | -72.8 | -177.2 | 171.6 | 153.9 | 1.2 | 114.9 | V617 | V617-R619 PolarHBondContact O-N 3.21Š|
| 620 | S | 35.7 | Very low | 56.1 | Low | 53 Ų | 53 | 78.7 Ų | 78.7 | 37% | 0.371 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -124.7 | 128.1 | 177.9 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | V617 A622 | V617-S620 CarbonylContact O-C 3.57Å; V617-S620 PolarHBondContact O-N 3.43Å; S620-A622 PolarHBondContact O-N 2.85Å |
| 621 | K | 36.6 | Very low | 56.5 | Low | 226 Ų | 226 | 77.4 Ų | 77.4 | 98% | 0.983 | 42% | 0.424 | S | S | * | . | trans | -64.4 | 14.1 | 172.7 | -70.7 | -174.3 | 176.8 | -180 | 0 | 113.4 | ||||
| 622 | A | 44.4 | Very low | 57.2 | Low | 53 Ų | 53 | 76.5 Ų | 76.5 | 44% | 0.438 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -75.8 | 138.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | V617 S620 Q624 | V617-A622 WeakPolarHBondContact CG1-O 3.31Å; S620-A622 PolarHBondContact O-N 2.85Å; A622-Q624 PolarHBondContact O-N 2.89Å |
| 623 | P | 39.5 | Very low | 58.5 | Low | 113 Ų | 113 | 72.5 Ų | 72.5 | 73% | 0.734 | 39% | 0.394 | S | S | * | . | trans | -56 | 138.7 | 174.5 | 20.3 | -29.5 | 0 | 0 | 0 | 110.2 | T625 | P623-T625 PolarHBondContact O-N 3.28Š| ||
| 624 | Q | 42.5 | Very low | 60.5 | Low | 132 Ų | 132 | 70.7 Ų | 70.7 | 62% | 0.617 | 39% | 0.385 | S | S | * | . | trans | -55.4 | 105.2 | 175.8 | -72 | -178.6 | 6.9 | 0 | 0 | 109.4 | V617 A622 I626 | V617-Q624 HydrophobicContact CB-CG 4.24Å; V617-Q624 HydrophobicContact CG1-CG 3.95Å; V617-Q624 HydrophobicContact CG2-CG 4.43Å; A622-Q624 PolarHBondContact O-N 2.89Å; Q624-I626 PolarHBondContact O-N 3.46Å; Q624-I626 VanDerWaalsContact O-N 3.07Å | ||
| 625 | T | 51.3 | Low | 62.8 | Low | 98 Ų | 98 | 68.2 Ų | 68.2 | 60% | 0.601 | 36% | 0.363 | S | S | * | . | trans | -76.9 | 97.3 | 170.4 | 57.6 | 0 | 0 | 0 | 0 | 107.6 | P623 T627 | P623-T625 PolarHBondContact O-N 3.28Å; T625-T627 PolarHBondContact O-N 3.28Å | ||
| 626 | I | 61.4 | Low | 65.1 | Low | 108 Ų | 108 | 59.5 Ų | 59.5 | 55% | 0.554 | 33% | 0.325 | S | S | * | . | trans | -62.9 | 121.7 | 169.6 | -60.8 | 175.2 | 0 | 0 | 0 | 107.5 | M274 Q624 | M274-I626 HydrophobicContact CE-CG2 4.09Å; Q624-I626 PolarHBondContact O-N 3.46Å; Q624-I626 VanDerWaalsContact O-N 3.07Å | ||
| 627 | T | 75.5 | Confident | 67.4 | Low | 29 Ų | 29 | 60.7 Ų | 60.7 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 165.1 | 174.7 | 56.9 | 0 | 0 | 0 | 0 | 109.7 | R611 T625 | R611-T627 PolarHBondContact N-O 3.13Å; R611-T627 PolarHBondContact NE-OG1 3.28Å; R611-T627 PolarHBondContact NH2-OG1 3.09Å; R611-T627 VanDerWaalsContact NH2-OG1 3.08Å; R611-T627 PolarHBondContact O-N 2.76Å; T625-T627 PolarHBondContact O-N 3.28Å |
| 628 | S | 81.6 | Confident | 70 | Confident | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 153.3 | 177.6 | -56 | 0 | 0 | 0 | 0 | 111.3 | M274 R606 N607 Y609 | M274-S628 WeakPolarHBondContact CE-OG 3.35Å; M274-S628 PolarHBondContact SD-OG 3.46Å; R606-S628 VanDerWaalsContact NE-CB 3.31Å; R606-S628 PolarHBondContact NE-OG 2.92Å; R606-S628 PolarHBondContact NH2-OG 3.19Å; N607-S628 WeakPolarHBondContact O-CB 3.27Å; Y609-S628 CarbonylContact O-C 3.6Å; Y609-S628 VanDerWaalsContact O-CA 3.3Å; Y609-S628 WeakPolarHBondContact O-CA 3.34Å |
| 629 | Y | 88.9 | Confident | 72.2 | Confident | 24 Ų | 24 | 63.4 Ų | 63.4 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 175.9 | 160.7 | -69.6 | -77.2 | 0 | 0 | 0 | 111.2 | L277 M282 I565 V568 N607 Y609 S610 R611 | L277-Y629 HydrophobicContact CD1-CD2 3.99Å; L277-Y629 HydrophobicContact CD1-CE2 3.55Å; L277-Y629 HydrophobicContact CD2-CD2 4.39Å; L277-Y629 HydrophobicContact CG-CD2 4.13Å; L277-Y629 HydrophobicContact CG-CE2 4.04Å; M282-Y629 VanDerWaalsContact CE-OH 3.25Å; M282-Y629 WeakPolarHBondContact CE-OH 3.33Å; I565-Y629 WeakPolarHBondContact O-CB 3.18Å; V568-Y629 HydrophobicContact CG2-CD1 4.21Å; V568-Y629 HydrophobicContact CG2-CE1 4.13Å; N607-Y629 PolarHBondContact N-O 3.12Å; N607-Y629 VanDerWaalsContact OD1-C 3.23Å; N607-Y629 WeakPolarHBondContact OD1-CB 3.35Å; N607-Y629 PolarHBondContact OD1-O 3.27Å; Y609-Y629 PolarHBondContact O-N 3.12Å; S610-Y629 WeakPolarHBondContact O-CE2 3.38Å; R611-Y629 HydrophobicContact CB-CD2 4.05Å; R611-Y629 HydrophobicContact CB-CE1 4.32Å; R611-Y629 HydrophobicContact CB-CE2 3.65Å; R611-Y629 HydrophobicContact CG-CE1 4.17Å; R611-Y629 HydrophobicContact CG-CE2 4.14Å |
| 630 | Y | 91.7 | Very high | 74.5 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 153.5 | 176.5 | -64.4 | -101.4 | 0 | 0 | 0 | 109.7 | E309 I565 C567 K569 T570 Y604 Y605 R606 N607 | E309-Y630 PolarHBondContact OE1-OH 3.37Å; I565-Y630 CarbonylContact C-O 3.6Å; I565-Y630 VanDerWaalsContact C-O 3.27Å; C567-Y630 VanDerWaalsContact CB-O 3.25Å; C567-Y630 WeakPolarHBondContact CB-O 3.47Å; C567-Y630 PolarHBondContact N-O 2.91Å; C567-Y630 PolarHBondContact O-N 2.75Å; K569-Y630 WeakPolarHBondContact O-CD2 3.45Å; T570-Y630 HydrophobicContact CG2-CE2 4.3Å; T570-Y630 WeakPolarHBondContact CG2-OH 3.44Å; Y604-Y630 HydrophobicContact CD1-CD1 4.49Å; Y604-Y630 AromaticContact CE1-CD1 3.77Å; Y604-Y630 HydrophobicContact CE1-CD1 3.77Å; Y604-Y630 AromaticContact CE1-CG 3.92Å; Y604-Y630 HydrophobicContact CE1-CG 3.92Å; Y604-Y630 VanDerWaalsContact CZ-CB 3.41Å; Y604-Y630 VanDerWaalsContact OH-CB 3.22Å; Y604-Y630 WeakPolarHBondContact OH-CB 3.16Å; Y605-Y630 CarbonylContact O-C 3.36Å; Y605-Y630 WeakPolarHBondContact O-CA 3.23Å; Y605-Y630 WeakPolarHBondContact O-CB 3.38Å; R606-Y630 HydrophobicContact CB-CD1 3.86Å; R606-Y630 HydrophobicContact CB-CE1 3.57Å; R606-Y630 HydrophobicContact CG-CE1 4.1Å; N607-Y630 PolarHBondContact ND2-O 2.88Å |
| 631 | T | 93.5 | Very high | 76.7 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.5 | 176.6 | -61 | 0 | 0 | 0 | 0 | 109.9 | N563 I564 I565 Y604 Y605 N607 | N563-T631 HydrophobicContact CB-CG2 4Å; I564-T631 VanDerWaalsContact O-CA 3.25Å; I564-T631 WeakPolarHBondContact O-CA 3.47Å; I565-T631 HydrophobicContact CG2-CG2 4.1Å; Y604-T631 VanDerWaalsContact CA-O 3.27Å; Y604-T631 WeakPolarHBondContact CA-O 3.29Å; Y604-T631 WeakPolarHBondContact CD2-O 3.09Å; Y605-T631 HydrophobicContact CE1-CG2 3.85Å; Y605-T631 PolarHBondContact N-O 3.17Å; Y605-T631 PolarHBondContact O-N 2.66Å; N607-T631 WeakPolarHBondContact CB-OG1 3.46Å; N607-T631 PolarHBondContact ND2-OG1 3.15Å |
| 632 | A | 94.7 | Very high | 78.7 | Confident | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 122.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | I564 Y574 Y604 | I564-A632 HydrophobicContact CB-CB 4.36Å; I564-A632 WeakPolarHBondContact CD1-O 3.14Å; I564-A632 PolarHBondContact N-O 3.04Å; I564-A632 PolarHBondContact O-N 3.1Å; Y574-A632 HydrophobicContact CD2-CB 3.95Å; Y574-A632 HydrophobicContact CE2-CB 3.79Å; Y604-A632 HydrophobicContact CD2-CB 3.8Å; Y604-A632 HydrophobicContact CE2-CB 4.21Å |
| 633 | S | 94.9 | Very high | 80.5 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.6 | 179.1 | -178.9 | 0 | 0 | 0 | 0 | 111 | F562 N563 C602 V603 | F562-S633 VanDerWaalsContact O-CA 3.27Å; F562-S633 WeakPolarHBondContact O-CA 3.5Å; N563-S633 VanDerWaalsContact OD1-CB 3.31Å; N563-S633 WeakPolarHBondContact OD1-CB 3.4Å; N563-S633 PolarHBondContact OD1-OG 2.74Å; N563-S633 VanDerWaalsContact OD1-OG 3.08Å; C602-S633 CarbonylContact C-O 3.56Å; C602-S633 VanDerWaalsContact CA-O 3.32Å; C602-S633 WeakPolarHBondContact CA-O 3.01Å; V603-S633 PolarHBondContact N-O 3.1Å; V603-S633 PolarHBondContact O-N 3.08Å |
| 634 | F | 95.1 | Very high | 82.5 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 148 | 173.4 | 52.9 | -95 | 0 | 0 | 0 | 111 | F562 I564 P580 C602 L636 | F562-F634 HydrophobicContact CB-CD2 4.1Å; F562-F634 HydrophobicContact CB-CE1 4.4Å; F562-F634 HydrophobicContact CB-CE2 3.64Å; F562-F634 HydrophobicContact CB-CZ 3.81Å; F562-F634 HydrophobicContact CD2-CD2 4.12Å; F562-F634 AromaticContact CD2-CE2 3.75Å; F562-F634 HydrophobicContact CD2-CE2 3.75Å; F562-F634 HydrophobicContact CG-CD2 4.46Å; F562-F634 AromaticContact CG-CE2 3.83Å; F562-F634 HydrophobicContact CG-CE2 3.83Å; F562-F634 HydrophobicContact CG-CZ 4.31Å; F562-F634 PolarHBondContact N-O 2.74Å; F562-F634 PolarHBondContact O-N 3.5Å; F562-F634 VanDerWaalsContact O-N 3.17Å; I564-F634 HydrophobicContact CD1-CD1 4.3Å; I564-F634 HydrophobicContact CD1-CE1 3.43Å; I564-F634 VanDerWaalsContact CD1-CE1 3.43Å; I564-F634 HydrophobicContact CD1-CZ 3.89Å; P580-F634 HydrophobicContact CB-CE1 4.48Å; P580-F634 HydrophobicContact CB-CZ 4.44Å; P580-F634 HydrophobicContact CG-CD1 4.15Å; P580-F634 HydrophobicContact CG-CD2 3.88Å; P580-F634 HydrophobicContact CG-CE1 4.27Å; P580-F634 HydrophobicContact CG-CE2 4.02Å; P580-F634 HydrophobicContact CG-CG 3.95Å; P580-F634 HydrophobicContact CG-CZ 4.22Å; C602-F634 HydrophobicContact CB-CB 4.49Å; F634-L636 HydrophobicContact CD2-CD1 4.05Å; F634-L636 HydrophobicContact CD2-CG 4.08Å; F634-L636 HydrophobicContact CE2-CD1 3.8Å; F634-L636 HydrophobicContact CE2-CG 4.35Å |
| 635 | T | 94.1 | Very high | 84.5 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.3 | 179.9 | -54.3 | 0 | 0 | 0 | 0 | 111 | P559 Y560 T561 G599 R600 | P559-T635 HydrophobicContact CB-CG2 3.77Å; Y560-T635 CarbonylContact O-C 3.56Å; Y560-T635 WeakPolarHBondContact O-CA 3.36Å; T561-T635 PolarHBondContact OG1-OG1 3.42Å; G599-T635 CarbonylContact C-O 3.6Å; G599-T635 VanDerWaalsContact CA-O 3.3Å; G599-T635 WeakPolarHBondContact CA-O 3.46Å; R600-T635 PolarHBondContact N-O 2.96Å; R600-T635 PolarHBondContact O-N 3.2Å |
| 636 | L | 91.9 | Very high | 86.3 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 149.4 | 177.6 | -70.5 | 166 | 0 | 0 | 0 | 111.4 | P559 Y560 F562 V582 S598 F634 F638 F647 | P559-L636 WeakPolarHBondContact CA-O 3.43Å; Y560-L636 PolarHBondContact N-O 3.29Å; Y560-L636 PolarHBondContact O-N 3.33Å; F562-L636 HydrophobicContact CD2-CD1 4Å; F562-L636 HydrophobicContact CE2-CB 4.18Å; F562-L636 HydrophobicContact CE2-CD1 3.74Å; F562-L636 HydrophobicContact CE2-CG 4.37Å; V582-L636 HydrophobicContact CG2-CD1 4.3Å; V582-L636 HydrophobicContact CG2-CD2 4Å; S598-L636 WeakPolarHBondContact OG-CD2 3.3Å; F634-L636 HydrophobicContact CD2-CD1 4.05Å; F634-L636 HydrophobicContact CD2-CG 4.08Å; F634-L636 HydrophobicContact CE2-CD1 3.8Å; F634-L636 HydrophobicContact CE2-CG 4.35Å; L636-F638 HydrophobicContact CB-CZ 4.34Å; L636-F638 HydrophobicContact CD1-CZ 4.45Å; L636-F647 HydrophobicContact CD1-CD1 3.61Å; L636-F647 HydrophobicContact CD1-CE1 3.36Å; L636-F647 HydrophobicContact CD1-CZ 4.33Å |
| 637 | H | 89.9 | Confident | 87.6 | Confident | 75 Ų | 75 | 32.4 Ų | 32.4 | 35% | 0.347 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.2 | 167.2 | -63.5 | 61.9 | 0 | 0 | 0 | 106.5 | ||
| 638 | F | 87.7 | Confident | 88.4 | Confident | 13 Ų | 13 | 32.1 Ų | 32.1 | 6% | 0.057 | 15% | 0.152 | C | C | . | . | trans | -80.5 | 131.4 | 178.7 | -62.1 | -73.1 | 0 | 0 | 0 | 109.5 | M554 N557 Y560 F562 L636 C645 F647 | M554-F638 HydrophobicContact CG-CD2 4.04Å; M554-F638 HydrophobicContact CG-CE2 4.31Å; M554-F638 HydrophobicContact CG-CG 4.4Å; M554-F638 HydrophobicContact SD-CB 4.35Å; M554-F638 HydrophobicContact SD-CD1 3.66Å; M554-F638 HydrophobicContact SD-CD2 3.6Å; M554-F638 HydrophobicContact SD-CE1 3.76Å; M554-F638 HydrophobicContact SD-CE2 3.7Å; M554-F638 HydrophobicContact SD-CG 3.58Å; M554-F638 VanDerWaalsContact SD-CG 3.58Å; M554-F638 HydrophobicContact SD-CZ 3.79Å; N557-F638 PolarHBondContact N-O 3.2Å; Y560-F638 AromaticContact CD2-CD2 3.33Å; Y560-F638 HydrophobicContact CD2-CD2 3.33Å; Y560-F638 AromaticContact CD2-CE2 3.36Å; Y560-F638 HydrophobicContact CD2-CE2 3.36Å; Y560-F638 AromaticContact CE2-CD2 3.68Å; Y560-F638 HydrophobicContact CE2-CD2 3.68Å; Y560-F638 HydrophobicContact CE2-CE2 4.08Å; Y560-F638 HydrophobicContact CG-CD2 4.17Å; Y560-F638 AromaticContact CG-CE2 3.73Å; Y560-F638 HydrophobicContact CG-CE2 3.73Å; F562-F638 HydrophobicContact CE2-CZ 4.21Å; F562-F638 HydrophobicContact CZ-CE2 4.42Å; F562-F638 HydrophobicContact CZ-CZ 4.05Å; L636-F638 HydrophobicContact CB-CZ 4.34Å; L636-F638 HydrophobicContact CD1-CZ 4.45Å; F638-C645 HydrophobicContact CD1-CB 4.36Å; F638-C645 HydrophobicContact CE1-CB 3.92Å; F638-F647 AromaticContact CE1-CE1 3.77Å; F638-F647 HydrophobicContact CE1-CE1 3.77Å; F638-F647 AromaticContact CE1-CZ 3.57Å; F638-F647 HydrophobicContact CE1-CZ 3.57Å; F638-F647 HydrophobicContact CZ-CE1 4.01Å; F638-F647 AromaticContact CZ-CZ 3.63Å; F638-F647 HydrophobicContact CZ-CZ 3.63Å | ||
| 639 | R | 86 | Confident | 88.9 | Confident | 164 Ų | 164 | 35.2 Ų | 35.2 | 62% | 0.619 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -74 | -34.8 | -178.5 | -66.7 | -178.2 | -179 | 170.4 | -0.9 | 112.2 | S556 E587 | S556-R639 PolarHBondContact OG-O 3.19Å; E587-R639 IonicContact OE2-NH1 2.96Å; E587-R639 PolarHBondContact OE2-NH1 3.2Å |
| 640 | H | 87.3 | Confident | 89.1 | Confident | 44 Ų | 44 | 34.3 Ų | 34.3 | 20% | 0.204 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -113.8 | 137 | -173.2 | -54.8 | -60.5 | 0 | 0 | 0 | 109.9 | T586 E587 D643 | T586-H640 HydrophobicContact CG2-CB 4.01Å; E587-H640 IonicContact OE1-CD2 3.62Å; E587-H640 IonicContact OE1-CE1 3.77Å; E587-H640 PolarHBondContact OE1-CE1 3.27Å; E587-H640 IonicContact OE1-NE2 2.71Å; E587-H640 PolarHBondContact OE1-NE2 3.3Å; H640-D643 HydrophobicContact CB-CB 4.05Å; H640-D643 IonicContact CD2-OD2 2.63Å |
| 641 | A | 83.1 | Confident | 89.2 | Confident | 47 Ų | 47 | 34.4 Ų | 34.4 | 39% | 0.388 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 145.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | M554 D643 | M554-A641 VanDerWaalsContact O-CA 3.23Å; M554-A641 WeakPolarHBondContact O-CA 3.25Å; A641-D643 PolarHBondContact O-N 2.94Å; A641-D643 VanDerWaalsContact O-N 3.14Å |
| 642 | Y | 77.4 | Confident | 89.3 | Confident | 88 Ų | 88 | 35.6 Ų | 35.6 | 35% | 0.345 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.9 | 179.3 | -44.6 | -69.6 | 0 | 0 | 0 | 114.6 | G537 V539 N553 M554 | G537-Y642 PolarHBondContact N-O 2.85Å; V539-Y642 HydrophobicContact CG2-CD1 4.14Å; V539-Y642 HydrophobicContact CG2-CE1 3.52Å; V539-Y642 HydrophobicContact CG2-CE2 4.5Å; N553-Y642 HydrophobicContact CB-CE1 4.25Å; M554-Y642 PolarHBondContact O-N 3.29Å |
| 643 | D | 82.4 | Confident | 89.3 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.011 | 17% | 0.168 | C | C | . | . | trans | -68.8 | 169 | 173.4 | -158.5 | -4 | 0 | 0 | 0 | 110.9 | M554 S584 T586 H640 A641 C645 | M554-D643 HydrophobicContact CE-CB 4.29Å; M554-D643 WeakPolarHBondContact CE-O 3.42Å; S584-D643 WeakPolarHBondContact CB-OD2 3.45Å; S584-D643 PolarHBondContact OG-OD1 3.28Å; S584-D643 PolarHBondContact OG-OD2 3.38Å; T586-D643 VanDerWaalsContact CB-OD1 3.23Å; T586-D643 WeakPolarHBondContact CB-OD1 3.36Å; T586-D643 PolarHBondContact N-OD1 3.18Å; T586-D643 PolarHBondContact OG1-OD1 2.93Å; H640-D643 HydrophobicContact CB-CB 4.05Å; H640-D643 IonicContact CD2-OD2 2.63Å; A641-D643 PolarHBondContact O-N 2.94Å; A641-D643 VanDerWaalsContact O-N 3.14Å; D643-C645 PolarHBondContact OD2-SG 3.36Å | ||
| 644 | M | 81.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -116.5 | 120.5 | 159.7 | -71.9 | 176.5 | -77.4 | 0 | 0 | 108.5 | D532 L536 S550 V585 | D532-M644 VanDerWaalsContact C-CE 3.45Å; D532-M644 HydrophobicContact CB-CE 3.75Å; D532-M644 HydrophobicContact CB-SD 3.72Å; D532-M644 WeakPolarHBondContact O-CE 3.41Å; L536-M644 HydrophobicContact CB-CE 3.6Å; L536-M644 HydrophobicContact CD1-CE 3.52Å; L536-M644 HydrophobicContact CG-CE 4.14Å; S550-M644 WeakPolarHBondContact OG-CG 3.27Å; V585-M644 HydrophobicContact CB-CB 4.14Å; V585-M644 HydrophobicContact CG1-CE 4.24Å; V585-M644 HydrophobicContact CG2-CB 3.84Å; V585-M644 WeakPolarHBondContact CG2-O 3.34Å; V585-M644 PolarHBondContact N-O 3.04Å | ||
| 645 | C | 86 | Confident | 89.4 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139 | -178.6 | -75.4 | 0 | 0 | 0 | 0 | 111.2 | V582 F583 F638 D643 F647 | V582-C645 HydrophobicContact CG1-CB 4.26Å; F583-C645 CarbonylContact O-C 3.46Å; F583-C645 WeakPolarHBondContact O-CA 3.21Å; F638-C645 HydrophobicContact CD1-CB 4.36Å; F638-C645 HydrophobicContact CE1-CB 3.92Å; D643-C645 PolarHBondContact OD2-SG 3.36Å; C645-F647 HydrophobicContact CB-CE1 4.07Å; C645-F647 HydrophobicContact CB-CE2 4.32Å; C645-F647 HydrophobicContact CB-CZ 3.65Å |
| 646 | Y | 87.2 | Confident | 89.4 | Confident | 39 Ų | 39 | 36.1 Ų | 36.1 | 15% | 0.153 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 141.1 | 169.9 | -55.7 | -96.9 | 0 | 0 | 0 | 109.5 | A465 F466 P467 D532 V582 F583 V585 W595 | A465-Y646 HydrophobicContact CB-CD1 4.38Å; A465-Y646 HydrophobicContact CB-CE1 3.83Å; F466-Y646 HydrophobicContact CB-CE2 3.96Å; F466-Y646 VanDerWaalsContact CB-OH 3.24Å; F466-Y646 WeakPolarHBondContact CB-OH 3.34Å; F466-Y646 PolarHBondContact N-OH 3.36Å; F466-Y646 VanDerWaalsContact N-OH 3.12Å; P467-Y646 HydrophobicContact CG-CD2 3.68Å; P467-Y646 HydrophobicContact CG-CE2 3.89Å; P467-Y646 HydrophobicContact CG-CG 4.15Å; D532-Y646 PolarHBondContact OD2-OH 3.38Å; V582-Y646 CarbonylContact C-O 3.6Å; V582-Y646 VanDerWaalsContact CA-O 3.23Å; V582-Y646 WeakPolarHBondContact CA-O 3.2Å; F583-Y646 HydrophobicContact CB-CD2 4.33Å; F583-Y646 HydrophobicContact CD1-CD2 4.15Å; F583-Y646 PolarHBondContact N-O 3.2Å; F583-Y646 PolarHBondContact O-N 3.32Å; V585-Y646 HydrophobicContact CG2-CD2 4.46Å; V585-Y646 HydrophobicContact CG2-CE2 3.69Å; W595-Y646 VanDerWaalsContact CH2-CB 3.47Å; W595-Y646 HydrophobicContact CH2-CG 4.49Å; W595-Y646 WeakPolarHBondContact CZ3-O 3.37Å |
| 647 | F | 89.2 | Confident | 89.5 | Confident | 83 Ų | 83 | 36 Ų | 36 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.4 | 178.3 | -44.9 | -80.8 | 0 | 0 | 0 | 109.2 | F562 V581 V582 L636 F638 C645 | F562-F647 HydrophobicContact CZ-CZ 4.42Å; V581-F647 WeakPolarHBondContact O-CA 3.34Å; V582-F647 HydrophobicContact CB-CD1 4.35Å; V582-F647 HydrophobicContact CG1-CD1 3.89Å; V582-F647 HydrophobicContact CG1-CE1 3.72Å; V582-F647 HydrophobicContact CG2-CD1 3.73Å; V582-F647 HydrophobicContact CG2-CE1 4.17Å; L636-F647 HydrophobicContact CD1-CD1 3.61Å; L636-F647 HydrophobicContact CD1-CE1 3.36Å; L636-F647 HydrophobicContact CD1-CZ 4.33Å; F638-F647 AromaticContact CE1-CE1 3.77Å; F638-F647 HydrophobicContact CE1-CE1 3.77Å; F638-F647 AromaticContact CE1-CZ 3.57Å; F638-F647 HydrophobicContact CE1-CZ 3.57Å; F638-F647 HydrophobicContact CZ-CE1 4.01Å; F638-F647 AromaticContact CZ-CZ 3.63Å; F638-F647 HydrophobicContact CZ-CZ 3.63Å; C645-F647 HydrophobicContact CB-CE1 4.07Å; C645-F647 HydrophobicContact CB-CE2 4.32Å; C645-F647 HydrophobicContact CB-CZ 3.65Å |
| 648 | A | 92.1 | Very high | 89.8 | Confident | 24 Ų | 24 | 32.6 Ų | 32.6 | 20% | 0.198 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | V581 W595 H650 P652 | V581-A648 HydrophobicContact CG2-CB 3.73Å; V581-A648 WeakPolarHBondContact CG2-O 3.42Å; V581-A648 PolarHBondContact N-O 3.12Å; V581-A648 PolarHBondContact O-N 2.68Å; W595-A648 HydrophobicContact CH2-CB 4.33Å; W595-A648 HydrophobicContact CZ3-CB 4Å; A648-H650 VanDerWaalsContact CB-O 3.25Å; A648-H650 WeakPolarHBondContact CB-O 3.28Å; A648-H650 PolarHBondContact O-N 3.24Å; A648-P652 HydrophobicContact CB-CG 3.75Å |
| 649 | Y | 92.4 | Very high | 90.3 | Very high | 70 Ų | 70 | 32.8 Ų | 32.8 | 28% | 0.275 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -60.6 | -34.1 | 173.7 | 179.4 | -112.1 | 0 | 0 | 0 | 111.5 | Y574 M578 Y898 | Y574-Y649 HydrophobicContact CE2-CD2 4.13Å; Y574-Y649 AromaticContact CE2-CE2 3.86Å; Y574-Y649 HydrophobicContact CE2-CE2 3.86Å; M578-Y649 HydrophobicContact CE-CD2 3.91Å; M578-Y649 HydrophobicContact CE-CE1 4.23Å; M578-Y649 HydrophobicContact CE-CE2 3.57Å; M578-Y649 HydrophobicContact CE-CG 4.37Å; M578-Y649 WeakPolarHBondContact CE-O 2.87Å; M578-Y649 HydrophobicContact SD-CE2 4.44Å; Y649-Y898 AromaticContact CD1-CD1 3.93Å; Y649-Y898 HydrophobicContact CD1-CD1 3.93Å; Y649-Y898 AromaticContact CD1-CE1 3.85Å; Y649-Y898 HydrophobicContact CD1-CE1 3.85Å; Y649-Y898 HydrophobicContact CD1-CG 4.49Å; Y649-Y898 AromaticContact CE1-CD1 3.51Å; Y649-Y898 HydrophobicContact CE1-CD1 3.51Å; Y649-Y898 AromaticContact CE1-CD2 3.93Å; Y649-Y898 HydrophobicContact CE1-CD2 3.93Å; Y649-Y898 AromaticContact CE1-CE1 3.58Å; Y649-Y898 HydrophobicContact CE1-CE1 3.58Å; Y649-Y898 HydrophobicContact CE1-CE2 4.03Å; Y649-Y898 AromaticContact CE1-CG 3.65Å; Y649-Y898 HydrophobicContact CE1-CG 3.65Å; Y649-Y898 AromaticContact CE1-CZ 3.82Å |
| 650 | H | 94.1 | Very high | 90.7 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.028 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -155.5 | 172.3 | 175.2 | -163.1 | 36.8 | 0 | 0 | 0 | 110.5 | R597 A648 P652 Y898 | R597-H650 PolarHBondContact NH2-CE1 3.24Å; R597-H650 PolarHBondContact NH2-ND1 2.85Å; A648-H650 VanDerWaalsContact CB-O 3.25Å; A648-H650 WeakPolarHBondContact CB-O 3.28Å; A648-H650 PolarHBondContact O-N 3.24Å; H650-P652 VanDerWaalsContact O-CD 3.25Å; H650-P652 WeakPolarHBondContact O-CD 3.48Å; H650-P652 VanDerWaalsContact O-N 3.11Å; H650-Y898 HydrophobicContact CB-CD1 3.65Å; H650-Y898 HydrophobicContact CB-CE1 4.05Å; H650-Y898 AromaticContact CD2-CD1 3.64Å; H650-Y898 AromaticContact CG-CD1 3.7Å |
| 651 | Y | 94.3 | Very high | 91 | Very high | 16 Ų | 16 | 23.5 Ų | 23.5 | 6% | 0.063 | 12% | 0.119 | C | C | . | . | trans | -54.8 | 115.8 | -176.4 | -53.5 | -75.2 | 0 | 0 | 0 | 111.1 | V581 W595 R597 S722 W726 M911 T913 | V581-Y651 HydrophobicContact CB-CD1 4.47Å; V581-Y651 HydrophobicContact CG1-CD1 3.79Å; V581-Y651 HydrophobicContact CG1-CE1 3.56Å; V581-Y651 HydrophobicContact CG1-CG 4.37Å; W595-Y651 HydrophobicContact CB-CD1 3.8Å; W595-Y651 HydrophobicContact CB-CE1 4.22Å; W595-Y651 WeakPolarHBondContact O-CE1 3.22Å; R597-Y651 PolarHBondContact NE-OH 3.11Å; Y651-S722 VanDerWaalsContact O-CB 3.24Å; Y651-S722 WeakPolarHBondContact O-CB 3.05Å; Y651-S722 PolarHBondContact O-OG 2.95Å; Y651-W726 PolarHBondContact O-NE1 3.1Å; Y651-W726 VanDerWaalsContact O-NE1 3.11Å; Y651-M911 WeakPolarHBondContact CE2-O 3.34Å; Y651-M911 PolarHBondContact OH-O 2.97Å; Y651-T913 HydrophobicContact CD1-CG2 4.03Å; Y651-T913 HydrophobicContact CD2-CG2 3.87Å; Y651-T913 HydrophobicContact CG-CG2 3.61Å | ||
| 652 | P | 94.1 | Very high | 91.7 | Very high | 27 Ų | 27 | 21.6 Ų | 21.6 | 18% | 0.175 | 10% | 0.102 | C | C | . | . | trans | -62.6 | 143.6 | -177 | -25.5 | 36.6 | 0 | 0 | 0 | 112.1 | Y473 W595 A648 H650 W726 | Y473-P652 WeakPolarHBondContact CE1-O 3.32Å; Y473-P652 PolarHBondContact OH-O 3.24Å; W595-P652 HydrophobicContact CD2-CG 4.4Å; W595-P652 HydrophobicContact CH2-CG 3.83Å; W595-P652 HydrophobicContact CZ2-CG 3.61Å; W595-P652 HydrophobicContact CZ3-CG 4.34Å; A648-P652 HydrophobicContact CB-CG 3.75Å; H650-P652 VanDerWaalsContact O-CD 3.25Å; H650-P652 WeakPolarHBondContact O-CD 3.48Å; H650-P652 VanDerWaalsContact O-N 3.11Å; P652-W726 VanDerWaalsContact O-CZ2 3.3Å; P652-W726 WeakPolarHBondContact O-CZ2 3.45Å | ||
| 653 | Y | 95 | Very high | 92.5 | Very high | 8 Ų | 8 | 19.4 Ų | 19.4 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | trans | -144.4 | 105.6 | 170.5 | -167.4 | -74.7 | 0 | 0 | 0 | 107.5 | M657 M658 R716 W726 H729 | Y653-M657 HydrophobicContact CD2-CE 4.11Å; Y653-M657 HydrophobicContact CD2-SD 3.75Å; Y653-M657 HydrophobicContact CE2-CE 3.9Å; Y653-M657 HydrophobicContact CE2-CG 4.28Å; Y653-M657 HydrophobicContact CE2-SD 3.92Å; Y653-M657 HydrophobicContact CG-SD 4.19Å; Y653-M658 HydrophobicContact CE1-CB 3.87Å; Y653-M658 HydrophobicContact CE1-CG 4.45Å; Y653-R716 PolarHBondContact O-NH1 3.24Å; Y653-R716 PolarHBondContact O-NH2 3.38Å; Y653-R716 VanDerWaalsContact O-NH2 3.07Å; Y653-W726 AromaticContact CD2-CD2 3.82Å; Y653-W726 HydrophobicContact CD2-CD2 3.82Å; Y653-W726 AromaticContact CD2-CE2 3.77Å; Y653-W726 HydrophobicContact CD2-CE3 4.05Å; Y653-W726 HydrophobicContact CD2-CG 4.34Å; Y653-W726 HydrophobicContact CD2-CH2 4.2Å; Y653-W726 AromaticContact CD2-CZ2 3.98Å; Y653-W726 HydrophobicContact CD2-CZ2 3.98Å; Y653-W726 HydrophobicContact CD2-CZ3 4.23Å; Y653-W726 HydrophobicContact CE2-CD2 4.45Å; Y653-W726 HydrophobicContact CE2-CE3 4.29Å; Y653-W726 HydrophobicContact CE2-CZ3 4.42Å; Y653-H729 HydrophobicContact CE2-CB 3.92Å; Y653-H729 AromaticContact CE2-ND1 3.62Å; Y653-H729 AromaticContact CZ-ND1 3.75Å; Y653-H729 PolarHBondContact OH-ND1 2.87Å | ||
| 654 | T | 94.9 | Very high | 93 | Very high | 33 Ų | 33 | 23.1 Ų | 23.1 | 20% | 0.202 | 11% | 0.111 | C | C | . | . | trans | -86.9 | 162.7 | -171.6 | 68.2 | 0 | 0 | 0 | 0 | 111.8 | Y448 D468 T656 M657 M658 | Y448-T654 PolarHBondContact OH-OG1 3.42Å; D468-T654 WeakPolarHBondContact OD1-CG2 3.21Å; T654-T656 VanDerWaalsContact C-N 3.27Å; T654-T656 PolarHBondContact O-N 2.66Å; T654-M657 PolarHBondContact O-N 3.1Å; T654-M657 WeakPolarHBondContact OG1-CB 3.23Å; T654-M657 PolarHBondContact OG1-N 3.38Å; T654-M658 PolarHBondContact O-N 3.22Å; T654-M658 VanDerWaalsContact O-N 3.16Å | ||
| 655 | Y | 96.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 170 | 175.7 | -114.9 | 0 | 0 | 0 | 111.5 | T455 M657 M658 K659 N689 P690 M756 V759 V763 | T455-Y655 HydrophobicContact CG2-CD1 3.71Å; T455-Y655 HydrophobicContact CG2-CE1 4.02Å; Y655-M657 PolarHBondContact O-N 2.98Å; Y655-M658 HydrophobicContact CD2-CE 3.42Å; Y655-M658 VanDerWaalsContact CD2-CE 3.42Å; Y655-M658 HydrophobicContact CE2-CE 3.35Å; Y655-M658 WeakPolarHBondContact O-CB 3.18Å; Y655-M658 PolarHBondContact O-N 3.01Å; Y655-K659 HydrophobicContact CD1-CD 4.28Å; Y655-K659 HydrophobicContact CD1-CG 4.49Å; Y655-K659 HydrophobicContact CE1-CD 3.57Å; Y655-K659 VanDerWaalsContact CE1-CE 3.43Å; Y655-K659 HydrophobicContact CE1-CG 4.07Å; Y655-K659 HydrophobicContact CE2-CD 4.44Å; Y655-K659 HydrophobicContact CE2-CG 4.18Å; Y655-K659 PolarHBondContact O-N 3.26Å; Y655-N689 HydrophobicContact CE1-CB 4.41Å; Y655-P690 VanDerWaalsContact OH-CD 3.29Å; Y655-P690 WeakPolarHBondContact OH-CD 3.09Å; Y655-P690 WeakPolarHBondContact OH-CG 3.26Å; Y655-P690 PolarHBondContact OH-O 2.97Å; Y655-M756 HydrophobicContact CD2-SD 3.74Å; Y655-M756 HydrophobicContact CG-SD 4.31Å; Y655-V759 HydrophobicContact CD2-CB 4.02Å; Y655-V759 HydrophobicContact CD2-CG1 3.74Å; Y655-V759 HydrophobicContact CE2-CB 3.96Å; Y655-V759 HydrophobicContact CE2-CG1 3.5Å; Y655-V759 VanDerWaalsContact CE2-CG1 3.5Å; Y655-V763 HydrophobicContact CD1-CG2 3.83Å; Y655-V763 HydrophobicContact CG-CG2 4.03Å |
| 656 | T | 94.3 | Very high | 94 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 176 | -53.1 | 0 | 0 | 0 | 0 | 112.2 | Y448 Q451 A452 T654 M658 K659 T660 | Y448-T656 HydrophobicContact CD1-CG2 3.58Å; Y448-T656 HydrophobicContact CD2-CG2 3.81Å; Y448-T656 HydrophobicContact CE1-CG2 3.44Å; Y448-T656 VanDerWaalsContact CE1-CG2 3.44Å; Y448-T656 HydrophobicContact CE2-CG2 3.75Å; Y448-T656 HydrophobicContact CG-CG2 3.77Å; Y448-T656 VanDerWaalsContact O-CG2 3.22Å; Y448-T656 WeakPolarHBondContact O-CG2 3.25Å; Q451-T656 HydrophobicContact CB-CG2 3.68Å; A452-T656 HydrophobicContact CB-CG2 3.94Å; T654-T656 VanDerWaalsContact C-N 3.27Å; T654-T656 PolarHBondContact O-N 2.66Å; T656-M658 VanDerWaalsContact C-N 3.32Å; T656-M658 PolarHBondContact O-N 2.93Å; T656-K659 PolarHBondContact O-N 3.22Å; T656-T660 WeakPolarHBondContact O-CB 3.43Å; T656-T660 PolarHBondContact O-N 2.76Å; T656-T660 PolarHBondContact O-OG1 2.58Å |
| 657 | M | 94.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.1 | -44.3 | 174 | -178 | 172.4 | -176.9 | 0 | 0 | 111.2 | W442 Y443 Y448 Y473 Y653 T654 Y655 T660 H661 W726 | W442-M657 HydrophobicContact CD2-CE 4.45Å; W442-M657 HydrophobicContact CE3-CE 3.61Å; W442-M657 HydrophobicContact CZ3-CE 3.93Å; Y443-M657 HydrophobicContact CE1-CE 4.33Å; Y443-M657 HydrophobicContact CE1-CG 3.95Å; Y443-M657 HydrophobicContact CE1-SD 4.49Å; Y448-M657 HydrophobicContact CE2-CB 3.99Å; Y473-M657 HydrophobicContact CD2-CE 3.91Å; Y473-M657 HydrophobicContact CD2-SD 4.33Å; Y473-M657 HydrophobicContact CE2-CE 4Å; Y473-M657 HydrophobicContact CE2-SD 3.79Å; Y473-M657 HydrophobicContact CG-CE 4.34Å; Y653-M657 HydrophobicContact CD2-CE 4.11Å; Y653-M657 HydrophobicContact CD2-SD 3.75Å; Y653-M657 HydrophobicContact CE2-CE 3.9Å; Y653-M657 HydrophobicContact CE2-CG 4.28Å; Y653-M657 HydrophobicContact CE2-SD 3.92Å; Y653-M657 HydrophobicContact CG-SD 4.19Å; T654-M657 PolarHBondContact O-N 3.1Å; T654-M657 WeakPolarHBondContact OG1-CB 3.23Å; T654-M657 PolarHBondContact OG1-N 3.38Å; Y655-M657 PolarHBondContact O-N 2.98Å; M657-T660 PolarHBondContact O-N 2.98Å; M657-H661 VanDerWaalsContact O-CB 3.28Å; M657-H661 WeakPolarHBondContact O-CB 3.13Å; M657-H661 PolarHBondContact O-N 2.84Å; M657-W726 HydrophobicContact CE-CH2 3.65Å; M657-W726 HydrophobicContact CE-CZ2 4.48Å; M657-W726 HydrophobicContact CE-CZ3 3.99Å; M657-W726 HydrophobicContact SD-CH2 4.37Å |
| 658 | M | 96.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -49.4 | 175.1 | -170.5 | -93.8 | -63 | 0 | 0 | 111.8 | Y653 T654 Y655 T656 T660 H661 L662 P755 M756 | Y653-M658 HydrophobicContact CE1-CB 3.87Å; Y653-M658 HydrophobicContact CE1-CG 4.45Å; T654-M658 PolarHBondContact O-N 3.22Å; T654-M658 VanDerWaalsContact O-N 3.16Å; Y655-M658 HydrophobicContact CD2-CE 3.42Å; Y655-M658 VanDerWaalsContact CD2-CE 3.42Å; Y655-M658 HydrophobicContact CE2-CE 3.35Å; Y655-M658 WeakPolarHBondContact O-CB 3.18Å; Y655-M658 PolarHBondContact O-N 3.01Å; T656-M658 VanDerWaalsContact C-N 3.32Å; T656-M658 PolarHBondContact O-N 2.93Å; M658-T660 VanDerWaalsContact C-N 3.33Å; M658-T660 PolarHBondContact O-N 3.02Å; M658-H661 PolarHBondContact O-N 2.81Å; M658-L662 WeakPolarHBondContact O-CG 3.49Å; M658-L662 PolarHBondContact O-N 3.1Å; M658-L662 HydrophobicContact SD-CD1 3.38Å; M658-L662 WeakPolarHBondContact SD-CD1 3.45Å; M658-L662 HydrophobicContact SD-CG 3.94Å; M658-P755 HydrophobicContact CG-CB 4.12Å; M658-P755 HydrophobicContact SD-CB 4.17Å; M658-M756 HydrophobicContact CB-CE 4.36Å; M658-M756 HydrophobicContact CE-CB 4.04Å |
| 659 | K | 96.6 | Very high | 94.3 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 178.5 | -71.1 | -164 | -68.6 | 174.3 | 0 | 112.3 | Q451 S454 T455 Y655 T656 L662 M663 | Q451-K659 HydrophobicContact CB-CB 4.16Å; Q451-K659 HydrophobicContact CG-CB 3.98Å; Q451-K659 WeakPolarHBondContact O-CE 3.21Å; Q451-K659 PolarHBondContact O-NZ 3.23Å; S454-K659 PolarHBondContact OG-NZ 3.46Å; S454-K659 VanDerWaalsContact OG-NZ 3.09Å; T455-K659 WeakPolarHBondContact OG1-CE 3.25Å; T455-K659 PolarHBondContact OG1-NZ 2.8Å; Y655-K659 HydrophobicContact CD1-CD 4.28Å; Y655-K659 HydrophobicContact CD1-CG 4.49Å; Y655-K659 HydrophobicContact CE1-CD 3.57Å; Y655-K659 VanDerWaalsContact CE1-CE 3.43Å; Y655-K659 HydrophobicContact CE1-CG 4.07Å; Y655-K659 HydrophobicContact CE2-CD 4.44Å; Y655-K659 HydrophobicContact CE2-CG 4.18Å; Y655-K659 PolarHBondContact O-N 3.26Å; T656-K659 PolarHBondContact O-N 3.22Å; K659-L662 PolarHBondContact O-N 3.03Å; K659-M663 WeakPolarHBondContact O-CB 3.48Å; K659-M663 PolarHBondContact O-N 3.14Å |
| 660 | T | 94.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 179.7 | -50.4 | 0 | 0 | 0 | 0 | 111 | Y443 D447 T656 M657 M658 M663 K664 | Y443-T660 HydrophobicContact CD1-CG2 4.37Å; Y443-T660 HydrophobicContact CD2-CG2 4.11Å; Y443-T660 HydrophobicContact CG-CG2 3.75Å; D447-T660 HydrophobicContact CB-CG2 3.93Å; T656-T660 WeakPolarHBondContact O-CB 3.43Å; T656-T660 PolarHBondContact O-N 2.76Å; T656-T660 PolarHBondContact O-OG1 2.58Å; M657-T660 PolarHBondContact O-N 2.98Å; M658-T660 VanDerWaalsContact C-N 3.33Å; M658-T660 PolarHBondContact O-N 3.02Å; T660-M663 PolarHBondContact O-N 2.78Å; T660-K664 PolarHBondContact O-N 3.3Å |
| 661 | H | 94.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -48.3 | 174.4 | 174.5 | -140.3 | 0 | 0 | 0 | 112.2 | M657 M658 M663 K664 L665 H729 N733 | M657-H661 VanDerWaalsContact O-CB 3.28Å; M657-H661 WeakPolarHBondContact O-CB 3.13Å; M657-H661 PolarHBondContact O-N 2.84Å; M658-H661 PolarHBondContact O-N 2.81Å; H661-M663 VanDerWaalsContact C-N 3.32Å; H661-M663 PolarHBondContact O-N 3.27Å; H661-K664 WeakPolarHBondContact O-CB 3.3Å; H661-K664 PolarHBondContact O-N 2.76Å; H661-L665 WeakPolarHBondContact O-CG 3.45Å; H661-L665 PolarHBondContact O-N 3.38Å; H661-H729 AromaticContact CD2-CE1 3.31Å; H661-H729 PolarHBondContact CD2-CE1 3.45Å; H661-H729 AromaticContact CD2-ND1 4Å; H661-H729 AromaticContact CD2-NE2 3.86Å; H661-H729 AromaticContact CE1-CE1 3.34Å; H661-H729 PolarHBondContact CE1-CE1 2.97Å; H661-H729 AromaticContact CE1-CG 3.78Å; H661-H729 AromaticContact CE1-ND1 3.35Å; H661-H729 PolarHBondContact CE1-ND1 2.86Å; H661-H729 AromaticContact CE1-NE2 3.75Å; H661-H729 AromaticContact CG-CE1 3.33Å; H661-H729 AromaticContact CG-ND1 3.63Å; H661-H729 AromaticContact ND1-CE1 3.37Å; H661-H729 PolarHBondContact ND1-CE1 3.37Å; H661-H729 AromaticContact ND1-ND1 3.22Å; H661-H729 PolarHBondContact ND1-ND1 3.46Å; H661-H729 AromaticContact NE2-CE1 3.31Å; H661-H729 PolarHBondContact NE2-CE1 3.11Å; H661-H729 VanDerWaalsContact NE2-CE1 3.31Å; H661-H729 AromaticContact NE2-ND1 3.82Å; H661-H729 AromaticContact NE2-NE2 3.52Å; H661-N733 PolarHBondContact NE2-OD1 3.46Å |
| 662 | L | 97 | Very high | 93.5 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -38.9 | 177.9 | -66.6 | -175.1 | 0 | 0 | 0 | 112.7 | M658 K659 L665 S666 F677 I679 K692 L694 L732 | M658-L662 WeakPolarHBondContact O-CG 3.49Å; M658-L662 PolarHBondContact O-N 3.1Å; M658-L662 HydrophobicContact SD-CD1 3.38Å; M658-L662 WeakPolarHBondContact SD-CD1 3.45Å; M658-L662 HydrophobicContact SD-CG 3.94Å; K659-L662 PolarHBondContact O-N 3.03Å; L662-L665 PolarHBondContact O-N 2.8Å; L662-S666 PolarHBondContact O-N 2.8Å; L662-F677 HydrophobicContact CD2-CZ 4.49Å; L662-I679 HydrophobicContact CB-CD1 3.92Å; L662-K692 HydrophobicContact CD1-CB 4.22Å; L662-K692 HydrophobicContact CD1-CG 4.19Å; L662-L694 HydrophobicContact CD1-CD2 3.88Å; L662-L694 HydrophobicContact CD2-CD1 3.67Å; L662-L694 HydrophobicContact CD2-CD2 3.87Å; L662-L694 HydrophobicContact CD2-CG 4.41Å; L662-L694 HydrophobicContact CG-CD2 4.48Å; L662-L732 HydrophobicContact CD2-CD1 4.06Å |
| 663 | M | 94.8 | Very high | 93 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 21% | 0.212 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 175 | -172.4 | 178.1 | 81.4 | 0 | 0 | 111.2 | D447 K659 T660 H661 L665 S666 Q667 | D447-M663 HydrophobicContact CB-CE 3.37Å; D447-M663 WeakPolarHBondContact OD1-CE 3.46Å; K659-M663 WeakPolarHBondContact O-CB 3.48Å; K659-M663 PolarHBondContact O-N 3.14Å; T660-M663 PolarHBondContact O-N 2.78Å; H661-M663 VanDerWaalsContact C-N 3.32Å; H661-M663 PolarHBondContact O-N 3.27Å; M663-L665 PolarHBondContact O-N 3.49Å; M663-S666 WeakPolarHBondContact O-CB 3.12Å; M663-S666 PolarHBondContact O-N 3.22Å; M663-Q667 WeakPolarHBondContact O-CG 3.27Å; M663-Q667 PolarHBondContact O-N 3.36Å |
| 664 | K | 92.7 | Very high | 92.7 | Very high | 80 Ų | 80 | 44.2 Ų | 44.2 | 35% | 0.348 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 176 | -173.2 | -178.3 | -174.9 | -177.9 | 0 | 111.8 | W442 T660 H661 S666 Q667 L668 | W442-K664 PolarHBondContact O-NZ 3.49Å; T660-K664 PolarHBondContact O-N 3.3Å; H661-K664 WeakPolarHBondContact O-CB 3.3Å; H661-K664 PolarHBondContact O-N 2.76Å; K664-S666 VanDerWaalsContact C-N 3.34Å; K664-S666 PolarHBondContact O-N 3.27Å; K664-Q667 PolarHBondContact O-N 3.22Å; K664-L668 HydrophobicContact CG-CD1 4.08Å; K664-L668 HydrophobicContact CG-CG 4.47Å; K664-L668 WeakPolarHBondContact O-CB 3.25Å; K664-L668 VanDerWaalsContact O-CG 3.31Å; K664-L668 WeakPolarHBondContact O-CG 3.45Å; K664-L668 PolarHBondContact O-N 3.17Å |
| 665 | L | 94.4 | Very high | 92.6 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 175.5 | -69.5 | -173.8 | 0 | 0 | 0 | 111.7 | H661 L662 M663 Q667 L668 L669 F677 L732 V736 | H661-L665 WeakPolarHBondContact O-CG 3.45Å; H661-L665 PolarHBondContact O-N 3.38Å; L662-L665 PolarHBondContact O-N 2.8Å; M663-L665 PolarHBondContact O-N 3.49Å; L665-Q667 VanDerWaalsContact C-N 3.31Å; L665-Q667 PolarHBondContact O-N 3.47Å; L665-L668 PolarHBondContact O-N 3.04Å; L665-L669 WeakPolarHBondContact O-CB 3.44Å; L665-L669 VanDerWaalsContact O-CG 3.28Å; L665-L669 WeakPolarHBondContact O-CG 3.39Å; L665-L669 PolarHBondContact O-N 2.86Å; L665-F677 HydrophobicContact CB-CE1 4.12Å; L665-F677 HydrophobicContact CB-CE2 4.49Å; L665-F677 HydrophobicContact CB-CZ 3.86Å; L665-F677 HydrophobicContact CD1-CE2 4.29Å; L665-F677 HydrophobicContact CD1-CZ 4.19Å; L665-L732 HydrophobicContact CD1-CB 4.15Å; L665-V736 HydrophobicContact CD2-CG2 4.03Å |
| 666 | S | 94.2 | Very high | 92.5 | Very high | 60 Ų | 60 | 46.9 Ų | 46.9 | 42% | 0.42 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 176.7 | -169.6 | 0 | 0 | 0 | 0 | 112.7 | L662 M663 K664 S670 | L662-S666 PolarHBondContact O-N 2.8Å; M663-S666 WeakPolarHBondContact O-CB 3.12Å; M663-S666 PolarHBondContact O-N 3.22Å; K664-S666 VanDerWaalsContact C-N 3.34Å; K664-S666 PolarHBondContact O-N 3.27Å; S666-S670 PolarHBondContact O-N 2.8Å |
| 667 | Q | 92.1 | Very high | 92.6 | Very high | 102 Ų | 102 | 48.1 Ų | 48.1 | 48% | 0.477 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.2 | -46.7 | 176.3 | -71.8 | 170.4 | -6 | 0 | 0 | 111.4 | M663 K664 L665 L669 S670 | M663-Q667 WeakPolarHBondContact O-CG 3.27Å; M663-Q667 PolarHBondContact O-N 3.36Å; K664-Q667 PolarHBondContact O-N 3.22Å; L665-Q667 VanDerWaalsContact C-N 3.31Å; L665-Q667 PolarHBondContact O-N 3.47Å; Q667-L669 PolarHBondContact O-N 3.25Å; Q667-S670 WeakPolarHBondContact O-CB 3.35Å; Q667-S670 PolarHBondContact O-N 2.98Å; Q667-S670 VanDerWaalsContact O-N 3.16Å; Q667-S670 PolarHBondContact O-OG 3.23Å |
| 668 | L | 90.2 | Very high | 92.6 | Very high | 113 Ų | 113 | 49.9 Ų | 49.9 | 59% | 0.592 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.8 | -33.7 | 178.2 | -73.5 | 170.7 | 0 | 0 | 0 | 112.6 | K664 L665 | K664-L668 HydrophobicContact CG-CD1 4.08Å; K664-L668 HydrophobicContact CG-CG 4.47Å; K664-L668 WeakPolarHBondContact O-CB 3.25Å; K664-L668 VanDerWaalsContact O-CG 3.31Å; K664-L668 WeakPolarHBondContact O-CG 3.45Å; K664-L668 PolarHBondContact O-N 3.17Å; L665-L668 PolarHBondContact O-N 3.04Å |
| 669 | L | 93 | Very high | 92.7 | Very high | 24 Ų | 24 | 52.4 Ų | 52.4 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -1.7 | -178.9 | -64 | 170.9 | 0 | 0 | 0 | 114 | L665 Q667 G671 V672 V675 F677 V736 | L665-L669 WeakPolarHBondContact O-CB 3.44Å; L665-L669 VanDerWaalsContact O-CG 3.28Å; L665-L669 WeakPolarHBondContact O-CG 3.39Å; L665-L669 PolarHBondContact O-N 2.86Å; Q667-L669 PolarHBondContact O-N 3.25Å; L669-G671 PolarHBondContact O-N 3.11Å; L669-G671 VanDerWaalsContact O-N 3.13Å; L669-V672 HydrophobicContact CD2-CB 4.04Å; L669-V672 HydrophobicContact CD2-CG1 4.13Å; L669-V672 HydrophobicContact CD2-CG2 4.16Å; L669-V672 PolarHBondContact O-N 3.31Å; L669-V675 HydrophobicContact CD1-CG1 4.36Å; L669-V675 HydrophobicContact CD2-CB 4.24Å; L669-V675 HydrophobicContact CD2-CG1 4.34Å; L669-V675 HydrophobicContact CD2-CG2 4.49Å; L669-F677 HydrophobicContact CD1-CB 3.45Å; L669-F677 VanDerWaalsContact CD1-CB 3.45Å; L669-F677 HydrophobicContact CD1-CD1 3.87Å; L669-F677 HydrophobicContact CD1-CD2 3.92Å; L669-F677 HydrophobicContact CD1-CG 3.49Å; L669-F677 VanDerWaalsContact CD1-CG 3.49Å; L669-V736 HydrophobicContact CD1-CB 3.99Å; L669-V736 HydrophobicContact CD1-CG1 3.92Å; L669-V736 HydrophobicContact CD1-CG2 4.49Å; L669-V736 HydrophobicContact CD2-CB 4.35Å |
| 670 | S | 88.4 | Confident | 92.8 | Very high | 108 Ų | 108 | 52.3 Ų | 52.3 | 76% | 0.755 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25 | -176.5 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | S666 Q667 | S666-S670 PolarHBondContact O-N 2.8Å; Q667-S670 WeakPolarHBondContact O-CB 3.35Å; Q667-S670 PolarHBondContact O-N 2.98Å; Q667-S670 VanDerWaalsContact O-N 3.16Å; Q667-S670 PolarHBondContact O-OG 3.23Å |
| 671 | G | 86.1 | Confident | 93 | Very high | 73 Ų | 73 | 55 Ų | 55 | 75% | 0.753 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 5.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L669 | L669-G671 PolarHBondContact O-N 3.11Å; L669-G671 VanDerWaalsContact O-N 3.13Å |
| 672 | V | 88.3 | Confident | 93.1 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 34% | 0.339 | 32% | 0.315 | S | S | . | . | trans | -98.7 | 110.8 | -174.4 | 178.1 | 0 | 0 | 0 | 0 | 109 | L669 D674 V675 | L669-V672 HydrophobicContact CD2-CB 4.04Å; L669-V672 HydrophobicContact CD2-CG1 4.13Å; L669-V672 HydrophobicContact CD2-CG2 4.16Å; L669-V672 PolarHBondContact O-N 3.31Å; V672-D674 WeakPolarHBondContact CG1-OD1 3.29Å; V672-V675 HydrophobicContact CG1-CB 4.12Å; V672-V675 HydrophobicContact CG1-CG2 3.83Å | ||
| 673 | S | 84.3 | Confident | 93.2 | Very high | 109 Ų | 109 | 54.9 Ų | 54.9 | 76% | 0.762 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -86.4 | -18.9 | -172.1 | 57.7 | 0 | 0 | 0 | 0 | 114.8 | A699 | S673-A699 WeakPolarHBondContact O-CB 3.24Š|
| 674 | D | 88.2 | Confident | 93.3 | Very high | 73 Ų | 73 | 60.6 Ų | 60.6 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -86.5 | -10.3 | -178.5 | 67 | -51 | 0 | 0 | 0 | 113.2 | V672 D698 A699 R746 | V672-D674 WeakPolarHBondContact CG1-OD1 3.29Å; D674-D698 WeakPolarHBondContact O-CA 3.37Å; D674-A699 PolarHBondContact O-N 2.85Å; D674-R746 IonicContact OD2-NH2 3.65Å |
| 675 | V | 93.7 | Very high | 93.6 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 112.9 | -178.7 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | L669 V672 F677 | L669-V675 HydrophobicContact CD1-CG1 4.36Å; L669-V675 HydrophobicContact CD2-CB 4.24Å; L669-V675 HydrophobicContact CD2-CG1 4.34Å; L669-V675 HydrophobicContact CD2-CG2 4.49Å; V672-V675 HydrophobicContact CG1-CB 4.12Å; V672-V675 HydrophobicContact CG1-CG2 3.83Å; V675-F677 HydrophobicContact CG1-CB 4.31Å; V675-F677 PolarHBondContact O-N 2.91Å |
| 676 | R | 94 | Very high | 93.6 | Very high | 79 Ų | 79 | 59.2 Ų | 59.2 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 99.6 | 167.2 | -179 | 175.1 | -77.8 | 112.3 | -10.4 | 109 | I696 T697 D698 A700 | R676-I696 WeakPolarHBondContact O-CA 3.13Å; R676-T697 WeakPolarHBondContact CA-O 3.2Å; R676-T697 HydrophobicContact CB-CG2 4Å; R676-T697 WeakPolarHBondContact CB-O 3.47Å; R676-T697 HydrophobicContact CG-CG2 4.33Å; R676-T697 PolarHBondContact N-O 3.26Å; R676-T697 PolarHBondContact O-N 3.15Å; R676-T697 VanDerWaalsContact O-N 3.08Å; R676-D698 PolarHBondContact NH1-O 3.11Å; R676-A700 PolarHBondContact NH1-O 3.25Å; R676-A700 PolarHBondContact NH2-O 3.15Å; R676-A700 VanDerWaalsContact NH2-O 3.09Å |
| 677 | F | 95.8 | Very high | 93.5 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 13% | 0.127 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 114.5 | 175.4 | 179.8 | -95.6 | 0 | 0 | 0 | 110.5 | L662 L665 L669 V675 I679 I696 V736 | L662-F677 HydrophobicContact CD2-CZ 4.49Å; L665-F677 HydrophobicContact CB-CE1 4.12Å; L665-F677 HydrophobicContact CB-CE2 4.49Å; L665-F677 HydrophobicContact CB-CZ 3.86Å; L665-F677 HydrophobicContact CD1-CE2 4.29Å; L665-F677 HydrophobicContact CD1-CZ 4.19Å; L669-F677 HydrophobicContact CD1-CB 3.45Å; L669-F677 VanDerWaalsContact CD1-CB 3.45Å; L669-F677 HydrophobicContact CD1-CD1 3.87Å; L669-F677 HydrophobicContact CD1-CD2 3.92Å; L669-F677 HydrophobicContact CD1-CG 3.49Å; L669-F677 VanDerWaalsContact CD1-CG 3.49Å; V675-F677 HydrophobicContact CG1-CB 4.31Å; V675-F677 PolarHBondContact O-N 2.91Å; F677-I679 HydrophobicContact CD1-CG1 4.41Å; F677-I679 HydrophobicContact CE1-CD1 3.72Å; F677-I679 HydrophobicContact CE1-CG1 3.7Å; F677-I679 HydrophobicContact CZ-CD1 4.18Å; F677-I679 HydrophobicContact CZ-CG1 4.11Å; F677-I696 HydrophobicContact CD2-CD1 3.65Å; F677-I696 HydrophobicContact CD2-CG1 3.67Å; F677-I696 HydrophobicContact CE2-CD1 3.63Å; F677-I696 HydrophobicContact CE2-CG1 4.06Å; F677-V736 HydrophobicContact CD2-CG1 3.82Å; F677-V736 HydrophobicContact CE2-CG1 4.2Å |
| 678 | R | 95.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.8 | -174.5 | -167 | 175.4 | 85.6 | -150.6 | -5.4 | 111.1 | L356 R358 E359 D680 L694 T695 | L356-R678 PolarHBondContact O-NH2 3.31Å; R358-R678 VanDerWaalsContact CZ-CZ 3.46Å; E359-R678 IonicContact OE2-CZ 2.62Å; E359-R678 VanDerWaalsContact OE2-CZ 3.26Å; E359-R678 IonicContact OE2-NH1 2.78Å; E359-R678 PolarHBondContact OE2-NH1 2.7Å; E359-R678 IonicContact OE2-NH2 2.78Å; E359-R678 PolarHBondContact OE2-NH2 3.45Å; R678-D680 IonicContact CZ-OD2 3.6Å; R678-D680 IonicContact NE-OD1 3.22Å; R678-D680 IonicContact NE-OD2 2.75Å; R678-D680 PolarHBondContact NE-OD2 3.1Å; R678-D680 IonicContact NH2-OD2 2.8Å; R678-D680 PolarHBondContact NH2-OD2 3.15Å; R678-L694 CarbonylContact O-C 3.59Å; R678-L694 VanDerWaalsContact O-CA 3.31Å; R678-L694 WeakPolarHBondContact O-CA 3.48Å; R678-T695 PolarHBondContact N-O 3.1Å; R678-T695 PolarHBondContact NH2-OG1 3.31Å; R678-T695 PolarHBondContact O-N 2.59Å |
| 679 | I | 98.1 | Very high | 94 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 29% | 0.292 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 109.7 | 176.6 | -51.9 | 176.2 | 0 | 0 | 0 | 108.5 | L662 F677 K692 L694 | L662-I679 HydrophobicContact CB-CD1 3.92Å; F677-I679 HydrophobicContact CD1-CG1 4.41Å; F677-I679 HydrophobicContact CE1-CD1 3.72Å; F677-I679 HydrophobicContact CE1-CG1 3.7Å; F677-I679 HydrophobicContact CZ-CD1 4.18Å; F677-I679 HydrophobicContact CZ-CG1 4.11Å; I679-K692 HydrophobicContact CG2-CB 4.46Å; I679-K692 HydrophobicContact CG2-CD 3.98Å; I679-K692 HydrophobicContact CG2-CG 4.44Å; I679-L694 HydrophobicContact CB-CD2 4.25Å; I679-L694 HydrophobicContact CG1-CD2 3.8Å; I679-L694 HydrophobicContact CG2-CD2 4Å |
| 680 | D | 98.4 | Very high | 94.2 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 8% | 0.08 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 166.7 | 170.5 | -61.4 | -75 | 0 | 0 | 0 | 110 | L356 R358 R678 L693 | L356-D680 HydrophobicContact CD2-CB 3.5Å; L356-D680 VanDerWaalsContact CD2-CB 3.5Å; R358-D680 IonicContact CZ-OD1 3.97Å; R358-D680 IonicContact NH1-OD1 3.79Å; R358-D680 PolarHBondContact NH1-OD1 3.06Å; R358-D680 VanDerWaalsContact NH1-OD1 3.14Å; R358-D680 IonicContact NH1-OD2 3.3Å; R358-D680 PolarHBondContact NH1-OD2 2.95Å; R358-D680 IonicContact NH2-OD1 3.78Å; R358-D680 PolarHBondContact NH2-OD1 2.93Å; R358-D680 IonicContact NH2-OD2 3.69Å; R678-D680 IonicContact CZ-OD2 3.6Å; R678-D680 IonicContact NE-OD1 3.22Å; R678-D680 IonicContact NE-OD2 2.75Å; R678-D680 PolarHBondContact NE-OD2 3.1Å; R678-D680 IonicContact NH2-OD2 2.8Å; R678-D680 PolarHBondContact NH2-OD2 3.15Å; D680-L693 PolarHBondContact N-O 3.13Å; D680-L693 PolarHBondContact O-N 2.87Å |
| 681 | T | 98.4 | Very high | 94.7 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 35% | 0.35 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 114 | 169.1 | -60.3 | 0 | 0 | 0 | 0 | 107.9 | C683 P690 V691 K692 | T681-C683 WeakPolarHBondContact CG2-O 3.4Å; T681-P690 HydrophobicContact CG2-CB 3.69Å; T681-V691 CarbonylContact C-O 3.42Å; T681-K692 PolarHBondContact OG1-NZ 3.1Å |
| 682 | L | 98.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | -47.7 | 178 | 177.9 | 63.4 | 0 | 0 | 0 | 110.8 | L356 V691 L693 I754 H793 A794 L797 | L356-L682 HydrophobicContact CD1-CD1 3.82Å; L682-V691 WeakPolarHBondContact CB-O 3.49Å; L682-V691 HydrophobicContact CD2-CG1 4.38Å; L682-V691 PolarHBondContact N-O 3.24Å; L682-L693 HydrophobicContact CB-CB 4.17Å; L682-I754 HydrophobicContact CD2-CD1 3.7Å; L682-I754 HydrophobicContact CD2-CG1 4.21Å; L682-H793 HydrophobicContact CD1-CB 3.89Å; L682-H793 HydrophobicContact CD2-CB 4.23Å; L682-H793 HydrophobicContact CG-CB 3.76Å; L682-A794 HydrophobicContact CD2-CB 4.27Å; L682-L797 HydrophobicContact CD1-CD2 4.38Å |
| 683 | C | 98.1 | Very high | 95.8 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 9% | 0.088 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 179.8 | 177.9 | 73.6 | 0 | 0 | 0 | 0 | 110.2 | T681 V691 H793 | T681-C683 WeakPolarHBondContact CG2-O 3.4Å; C683-V691 PolarHBondContact O-N 2.88Å; C683-H793 HydrophobicContact CB-CB 4.19Å; C683-H793 WeakPolarHBondContact CB-CD2 3.39Å |
| 684 | R | 97.9 | Very high | 96.5 | Very high | 163 Ų | 163 | 34 Ų | 34 | 62% | 0.615 | 17% | 0.171 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 146.7 | 164.3 | -66.2 | -177 | -179.1 | -82.9 | 1.2 | 110.1 | G688 N689 P789 | R684-G688 PolarHBondContact NH1-O 2.88Å; R684-N689 CarbonylContact C-O 3.33Å; R684-N689 WeakPolarHBondContact CA-O 3.11Å; R684-P789 WeakPolarHBondContact O-CB 3.38Å; R684-P789 WeakPolarHBondContact O-CG 3.2Å |
| 685 | S | 97.3 | Very high | 97 | Very high | 15 Ų | 15 | 30.6 Ų | 30.6 | 11% | 0.105 | 15% | 0.152 | C | C | . | . | trans | -75.6 | 179.5 | 171.9 | 70.7 | 0 | 0 | 0 | 0 | 111.5 | A687 G688 N689 V759 D760 | S685-A687 VanDerWaalsContact C-N 3.29Å; S685-A687 PolarHBondContact O-N 3.28Å; S685-G688 PolarHBondContact O-N 3.36Å; S685-G688 PolarHBondContact OG-N 2.94Å; S685-N689 PolarHBondContact N-O 2.82Å; S685-N689 WeakPolarHBondContact OG-CB 3.38Å; S685-N689 PolarHBondContact OG-N 2.8Å; S685-N689 PolarHBondContact OG-O 2.86Å; S685-V759 VanDerWaalsContact CB-CG2 3.44Å; S685-D760 VanDerWaalsContact CB-CG 3.43Å; S685-D760 VanDerWaalsContact CB-OD1 3.25Å; S685-D760 WeakPolarHBondContact CB-OD1 3.27Å; S685-D760 WeakPolarHBondContact CB-OD2 3.06Å; S685-D760 PolarHBondContact OG-OD1 3.49Å; S685-D760 PolarHBondContact OG-OD2 2.87Å | ||
| 686 | I | 94.8 | Very high | 97.2 | Very high | 45 Ų | 45 | 30 Ų | 30 | 23% | 0.231 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -41.9 | 177.7 | -67 | 169 | 0 | 0 | 0 | 110.4 | G688 D760 L771 A772 L787 | I686-G688 PolarHBondContact O-N 3.47Å; I686-D760 PolarHBondContact N-OD2 2.86Å; I686-L771 HydrophobicContact CB-CB 4.49Å; I686-L771 HydrophobicContact CD1-CB 4.2Å; I686-L771 HydrophobicContact CG2-CB 4.45Å; I686-A772 HydrophobicContact CD1-CB 3.92Å; I686-L787 WeakPolarHBondContact CD1-O 3.33Å |
| 687 | A | 92.7 | Very high | 97.3 | Very high | 26 Ų | 26 | 26.2 Ų | 26.2 | 22% | 0.215 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 3.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | H456 S685 D760 L771 | H456-A687 HydrophobicContact CB-CB 4.36Å; H456-A687 WeakPolarHBondContact CB-O 3.24Å; S685-A687 VanDerWaalsContact C-N 3.29Å; S685-A687 PolarHBondContact O-N 3.28Å; A687-D760 WeakPolarHBondContact CB-OD1 3.11Å; A687-D760 PolarHBondContact N-OD2 3.37Å; A687-L771 HydrophobicContact CB-CD1 3.87Å |
| 688 | G | 94.8 | Very high | 97.2 | Very high | 21 Ų | 21 | 27.1 Ų | 27.1 | 22% | 0.216 | 14% | 0.141 | C | C | . | . | trans | 86.6 | 2.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R684 S685 I686 | R684-G688 PolarHBondContact NH1-O 2.88Å; S685-G688 PolarHBondContact O-N 3.36Å; S685-G688 PolarHBondContact OG-N 2.94Å; I686-G688 PolarHBondContact O-N 3.47Å | ||
| 689 | N | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 139.6 | 177.8 | -67.1 | -60.9 | 0 | 0 | 0 | 111.4 | H456 Y655 R684 S685 V691 V759 D760 | H456-N689 PolarHBondContact N-OD1 2.89Å; H456-N689 PolarHBondContact O-ND2 3Å; H456-N689 PolarHBondContact O-OD1 3.35Å; Y655-N689 HydrophobicContact CE1-CB 4.41Å; R684-N689 CarbonylContact C-O 3.33Å; R684-N689 WeakPolarHBondContact CA-O 3.11Å; S685-N689 PolarHBondContact N-O 2.82Å; S685-N689 WeakPolarHBondContact OG-CB 3.38Å; S685-N689 PolarHBondContact OG-N 2.8Å; S685-N689 PolarHBondContact OG-O 2.86Å; N689-V691 PolarHBondContact O-N 3.05Å; N689-V759 HydrophobicContact CB-CG2 3.82Å; N689-D760 PolarHBondContact ND2-OD1 2.79Å |
| 690 | P | 98.3 | Very high | 96.1 | Very high | 23 Ų | 23 | 25.3 Ų | 25.3 | 15% | 0.149 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 125.3 | 177.4 | 27.9 | -32.1 | 0 | 0 | 0 | 111.4 | Y655 T681 K692 | Y655-P690 VanDerWaalsContact OH-CD 3.29Å; Y655-P690 WeakPolarHBondContact OH-CD 3.09Å; Y655-P690 WeakPolarHBondContact OH-CG 3.26Å; Y655-P690 PolarHBondContact OH-O 2.97Å; T681-P690 HydrophobicContact CG2-CB 3.69Å; P690-K692 HydrophobicContact CB-CD 4.33Å |
| 691 | V | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 116.2 | 168.2 | -178.6 | 0 | 0 | 0 | 0 | 107.4 | T681 L682 C683 N689 I754 V759 | T681-V691 CarbonylContact C-O 3.42Å; L682-V691 WeakPolarHBondContact CB-O 3.49Å; L682-V691 HydrophobicContact CD2-CG1 4.38Å; L682-V691 PolarHBondContact N-O 3.24Å; C683-V691 PolarHBondContact O-N 2.88Å; N689-V691 PolarHBondContact O-N 3.05Å; V691-I754 HydrophobicContact CG1-CG2 4Å; V691-V759 HydrophobicContact CG2-CG1 4.29Å; V691-V759 HydrophobicContact CG2-CG2 4Å |
| 692 | K | 98.7 | Very high | 94.5 | Very high | 46 Ų | 46 | 27.8 Ų | 27.8 | 20% | 0.2 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 139.4 | -170.9 | -60.6 | -57.4 | -174.9 | 178.5 | 0 | 112 | L662 I679 T681 P690 P755 | L662-K692 HydrophobicContact CD1-CB 4.22Å; L662-K692 HydrophobicContact CD1-CG 4.19Å; I679-K692 HydrophobicContact CG2-CB 4.46Å; I679-K692 HydrophobicContact CG2-CD 3.98Å; I679-K692 HydrophobicContact CG2-CG 4.44Å; T681-K692 PolarHBondContact OG1-NZ 3.1Å; P690-K692 HydrophobicContact CB-CD 4.33Å; K692-P755 WeakPolarHBondContact O-CD 3.27Å |
| 693 | L | 98.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.1 | 166.9 | 176 | 67.5 | 0 | 0 | 0 | 108.3 | L356 D680 L682 K752 I753 I754 L797 | L356-L693 HydrophobicContact CB-CD2 4.03Å; L356-L693 HydrophobicContact CD1-CD2 4.14Å; L356-L693 HydrophobicContact CD2-CD2 4.19Å; L356-L693 HydrophobicContact CG-CD2 4.35Å; D680-L693 PolarHBondContact N-O 3.13Å; D680-L693 PolarHBondContact O-N 2.87Å; L682-L693 HydrophobicContact CB-CB 4.17Å; L693-K752 HydrophobicContact CD1-CB 4.25Å; L693-K752 HydrophobicContact CD1-CD 4.43Å; L693-K752 HydrophobicContact CD2-CD 4.5Å; L693-I753 CarbonylContact C-O 3.32Å; L693-I753 WeakPolarHBondContact CA-O 3.41Å; L693-I754 HydrophobicContact CD1-CG1 3.9Å; L693-L797 HydrophobicContact CD1-CD2 3.79Å; L693-L797 HydrophobicContact CD2-CD1 4.44Å; L693-L797 HydrophobicContact CD2-CD2 3.77Å; L693-L797 HydrophobicContact CG-CD2 4.45Å |
| 694 | L | 98.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135.3 | 174.5 | -43.5 | 176.7 | 0 | 0 | 0 | 109 | L662 R678 I679 I696 L732 K752 I753 P755 | L662-L694 HydrophobicContact CD1-CD2 3.88Å; L662-L694 HydrophobicContact CD2-CD1 3.67Å; L662-L694 HydrophobicContact CD2-CD2 3.87Å; L662-L694 HydrophobicContact CD2-CG 4.41Å; L662-L694 HydrophobicContact CG-CD2 4.48Å; R678-L694 CarbonylContact O-C 3.59Å; R678-L694 VanDerWaalsContact O-CA 3.31Å; R678-L694 WeakPolarHBondContact O-CA 3.48Å; I679-L694 HydrophobicContact CB-CD2 4.25Å; I679-L694 HydrophobicContact CG1-CD2 3.8Å; I679-L694 HydrophobicContact CG2-CD2 4Å; L694-I696 HydrophobicContact CB-CD1 4.46Å; L694-I696 HydrophobicContact CB-CG1 4.34Å; L694-L732 HydrophobicContact CD1-CD1 3.79Å; L694-L732 HydrophobicContact CD1-CD2 3.5Å; L694-L732 VanDerWaalsContact CD1-CD2 3.5Å; L694-L732 HydrophobicContact CD1-CG 4.31Å; L694-K752 WeakPolarHBondContact O-CA 3.44Å; L694-I753 HydrophobicContact CB-CB 4.18Å; L694-I753 HydrophobicContact CD1-CB 4.42Å; L694-I753 HydrophobicContact CD1-CG2 4.39Å; L694-I753 PolarHBondContact N-O 3.32Å; L694-I753 PolarHBondContact O-N 3.36Å; L694-P755 HydrophobicContact CD1-CG 3.55Å; L694-P755 HydrophobicContact CG-CG 3.89Å |
| 695 | T | 98.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117.7 | 166.2 | -53.6 | 0 | 0 | 0 | 0 | 108.3 | E359 R678 I750 F751 K752 | E359-T695 HydrophobicContact CG-CG2 4.49Å; R678-T695 PolarHBondContact N-O 3.1Å; R678-T695 PolarHBondContact NH2-OG1 3.31Å; R678-T695 PolarHBondContact O-N 2.59Å; T695-I750 HydrophobicContact CG2-CG2 3.99Å; T695-F751 VanDerWaalsContact CA-O 3.27Å; T695-F751 WeakPolarHBondContact CA-O 3.47Å; T695-K752 HydrophobicContact CG2-CD 4.37Å; T695-K752 PolarHBondContact OG1-NZ 2.7Å |
| 696 | I | 98 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.2 | -178.1 | -47.7 | -178.7 | 0 | 0 | 0 | 108.8 | R676 F677 L694 L732 L735 V736 F751 I753 | R676-I696 WeakPolarHBondContact O-CA 3.13Å; F677-I696 HydrophobicContact CD2-CD1 3.65Å; F677-I696 HydrophobicContact CD2-CG1 3.67Å; F677-I696 HydrophobicContact CE2-CD1 3.63Å; F677-I696 HydrophobicContact CE2-CG1 4.06Å; L694-I696 HydrophobicContact CB-CD1 4.46Å; L694-I696 HydrophobicContact CB-CG1 4.34Å; I696-L732 HydrophobicContact CD1-CD2 3.73Å; I696-L735 HydrophobicContact CB-CD2 3.87Å; I696-L735 HydrophobicContact CB-CG 4.49Å; I696-L735 HydrophobicContact CD1-CD2 3.99Å; I696-L735 HydrophobicContact CG1-CD2 4.47Å; I696-L735 HydrophobicContact CG2-CD2 3.81Å; I696-L735 HydrophobicContact CG2-CG 3.87Å; I696-V736 HydrophobicContact CD1-CG1 4.27Å; I696-V736 HydrophobicContact CG2-CG1 4.18Å; I696-F751 HydrophobicContact CB-CB 4.29Å; I696-F751 PolarHBondContact N-O 3.28Å; I696-F751 WeakPolarHBondContact O-CB 3.48Å; I696-F751 WeakPolarHBondContact O-CD2 3.34Å; I696-F751 PolarHBondContact O-N 3.24Å; I696-I753 HydrophobicContact CD1-CD1 4.21Å |
| 697 | T | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 173.6 | 176.2 | -167.3 | 0 | 0 | 0 | 0 | 108.9 | R676 L705 R708 R746 F749 I750 | R676-T697 WeakPolarHBondContact CA-O 3.2Å; R676-T697 HydrophobicContact CB-CG2 4Å; R676-T697 WeakPolarHBondContact CB-O 3.47Å; R676-T697 HydrophobicContact CG-CG2 4.33Å; R676-T697 PolarHBondContact N-O 3.26Å; R676-T697 PolarHBondContact O-N 3.15Å; R676-T697 VanDerWaalsContact O-N 3.08Å; T697-L705 HydrophobicContact CG2-CD2 3.86Å; T697-R708 PolarHBondContact OG1-NH1 3.15Å; T697-R746 PolarHBondContact OG1-O 3.39Å; T697-F749 WeakPolarHBondContact CB-O 3.49Å; T697-F749 PolarHBondContact OG1-O 2.78Å; T697-I750 HydrophobicContact CG2-CG1 4.35Å |
| 698 | D | 92.8 | Very high | 92 | Very high | 47 Ų | 47 | 34 Ų | 34 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 152.1 | 173.1 | 160.7 | 55.8 | 0 | 0 | 0 | 111.2 | D674 R676 A700 R708 R746 | D674-D698 WeakPolarHBondContact O-CA 3.37Å; R676-D698 PolarHBondContact NH1-O 3.11Å; D698-A700 PolarHBondContact O-N 3.22Å; D698-R708 PolarHBondContact O-NH1 3.26Å; D698-R708 VanDerWaalsContact O-NH1 3.09Å; D698-R708 IonicContact OD2-CZ 3.87Å; D698-R708 IonicContact OD2-NH1 3.79Å; D698-R708 IonicContact OD2-NH2 3.04Å; D698-R708 PolarHBondContact OD2-NH2 2.77Å; D698-R746 HydrophobicContact CB-CB 3.92Å; D698-R746 WeakPolarHBondContact CB-O 3.48Å; D698-R746 PolarHBondContact N-O 3.1Å; D698-R746 VanDerWaalsContact N-O 3.13Å |
| 699 | A | 85.3 | Confident | 92.1 | Very high | 43 Ų | 43 | 35 Ų | 35 | 36% | 0.355 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -76.2 | 63 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | S673 D674 | S673-A699 WeakPolarHBondContact O-CB 3.24Å; D674-A699 PolarHBondContact O-N 2.85Å |
| 700 | A | 85.1 | Confident | 92.2 | Very high | 16 Ų | 16 | 35.1 Ų | 35.1 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | trans | -95.8 | 168.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R676 D698 V704 L705 | R676-A700 PolarHBondContact NH1-O 3.25Å; R676-A700 PolarHBondContact NH2-O 3.15Å; R676-A700 VanDerWaalsContact NH2-O 3.09Å; D698-A700 PolarHBondContact O-N 3.22Å; A700-V704 HydrophobicContact CB-CB 3.85Å; A700-V704 HydrophobicContact CB-CG1 3.75Å; A700-L705 HydrophobicContact CB-CD2 4.07Å; A700-L705 HydrophobicContact CB-CG 4.38Å | ||
| 701 | S | 82 | Confident | 92.2 | Very high | 71 Ų | 71 | 34 Ų | 34 | 50% | 0.497 | 19% | 0.191 | S | C | . | . | trans | -69.1 | 156.2 | 171.1 | 64.8 | 0 | 0 | 0 | 0 | 111.4 | N703 V704 L705 | S701-N703 PolarHBondContact O-N 3.4Å; S701-N703 VanDerWaalsContact O-N 3.13Å; S701-V704 PolarHBondContact O-N 3.28Å; S701-V704 VanDerWaalsContact O-N 3.08Å; S701-L705 WeakPolarHBondContact O-CG 3.35Å; S701-L705 PolarHBondContact O-N 2.98Å | ||
| 702 | C | 80.6 | Confident | 92.2 | Very high | 52 Ų | 52 | 34.1 Ų | 34.1 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55.2 | -35 | -177.3 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | V704 L705 Q706 | C702-V704 PolarHBondContact O-N 3.18Å; C702-L705 PolarHBondContact O-N 2.87Å; C702-Q706 WeakPolarHBondContact O-CG 3.47Å; C702-Q706 PolarHBondContact O-N 3.18Å |
| 703 | N | 82.8 | Confident | 92.2 | Very high | 88 Ų | 88 | 32 Ų | 32 | 47% | 0.471 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 179 | -59.7 | 1.8 | 0 | 0 | 0 | 111.4 | F362 S701 Q706 | F362-N703 WeakPolarHBondContact CD2-OD1 3.46Å; F362-N703 WeakPolarHBondContact CE2-OD1 3.47Å; S701-N703 PolarHBondContact O-N 3.4Å; S701-N703 VanDerWaalsContact O-N 3.13Å; N703-Q706 PolarHBondContact O-N 2.85Å |
| 704 | V | 86.6 | Confident | 92.2 | Very high | 66 Ų | 66 | 32 Ų | 32 | 40% | 0.4 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.2 | -38 | 177.2 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | A700 S701 C702 Q706 E707 | A700-V704 HydrophobicContact CB-CB 3.85Å; A700-V704 HydrophobicContact CB-CG1 3.75Å; S701-V704 PolarHBondContact O-N 3.28Å; S701-V704 VanDerWaalsContact O-N 3.08Å; C702-V704 PolarHBondContact O-N 3.18Å; V704-Q706 VanDerWaalsContact C-N 3.31Å; V704-Q706 PolarHBondContact O-N 3Å; V704-E707 PolarHBondContact O-N 3.32Å |
| 705 | L | 86.9 | Confident | 92.2 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.3 | -35.6 | 178 | -65.8 | -178.6 | 0 | 0 | 0 | 112.4 | E359 T697 A700 S701 C702 E707 R708 I750 | E359-L705 HydrophobicContact CB-CD1 3.89Å; T697-L705 HydrophobicContact CG2-CD2 3.86Å; A700-L705 HydrophobicContact CB-CD2 4.07Å; A700-L705 HydrophobicContact CB-CG 4.38Å; S701-L705 WeakPolarHBondContact O-CG 3.35Å; S701-L705 PolarHBondContact O-N 2.98Å; C702-L705 PolarHBondContact O-N 2.87Å; L705-E707 PolarHBondContact O-N 3.21Å; L705-R708 WeakPolarHBondContact O-CB 3.14Å; L705-R708 PolarHBondContact O-N 3.11Å; L705-R708 VanDerWaalsContact O-N 3.17Å; L705-I750 HydrophobicContact CB-CD1 4.08Å; L705-I750 WeakPolarHBondContact O-CD1 3.42Å |
| 706 | Q | 86 | Confident | 92.2 | Very high | 53 Ų | 53 | 32.6 Ų | 32.6 | 25% | 0.248 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -29.2 | 176.9 | -77.3 | 179.6 | -4.5 | 0 | 0 | 112.3 | L360 C702 N703 V704 R708 K806 | L360-Q706 PolarHBondContact O-NE2 2.9Å; C702-Q706 WeakPolarHBondContact O-CG 3.47Å; C702-Q706 PolarHBondContact O-N 3.18Å; N703-Q706 PolarHBondContact O-N 2.85Å; V704-Q706 VanDerWaalsContact C-N 3.31Å; V704-Q706 PolarHBondContact O-N 3Å; Q706-R708 VanDerWaalsContact C-N 3.28Å; Q706-R708 PolarHBondContact O-N 3.32Å; Q706-K806 WeakPolarHBondContact O-CE 3.32Å; Q706-K806 PolarHBondContact O-NZ 3.45Å |
| 707 | E | 90.4 | Very high | 92.2 | Very high | 171 Ų | 171 | 32.6 Ų | 32.6 | 80% | 0.799 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -11 | 178.5 | -64.7 | -178.7 | 175.4 | 0 | 0 | 113.5 | V704 L705 | V704-E707 PolarHBondContact O-N 3.32Å; L705-E707 PolarHBondContact O-N 3.21Å |
| 708 | R | 94.7 | Very high | 92.3 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 6% | 0.064 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -78.8 | 145.1 | -178.5 | -66 | -179.1 | 178.9 | 169.8 | 0.4 | 111.9 | T697 D698 L705 Q706 R746 S747 L748 I750 | T697-R708 PolarHBondContact OG1-NH1 3.15Å; D698-R708 PolarHBondContact O-NH1 3.26Å; D698-R708 VanDerWaalsContact O-NH1 3.09Å; D698-R708 IonicContact OD2-CZ 3.87Å; D698-R708 IonicContact OD2-NH1 3.79Å; D698-R708 IonicContact OD2-NH2 3.04Å; D698-R708 PolarHBondContact OD2-NH2 2.77Å; L705-R708 WeakPolarHBondContact O-CB 3.14Å; L705-R708 PolarHBondContact O-N 3.11Å; L705-R708 VanDerWaalsContact O-N 3.17Å; Q706-R708 VanDerWaalsContact C-N 3.28Å; Q706-R708 PolarHBondContact O-N 3.32Å; R708-R746 PolarHBondContact NH1-O 2.95Å; R708-S747 PolarHBondContact NE-O 3.24Å; R708-L748 WeakPolarHBondContact CB-O 3.04Å; R708-I750 HydrophobicContact CB-CD1 4.32Å; R708-I750 HydrophobicContact CB-CG1 4.11Å |
| 709 | D | 97.3 | Very high | 92.5 | Very high | 42 Ų | 42 | 30.8 Ų | 30.8 | 23% | 0.225 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 146.7 | 172.4 | -75.9 | -39.5 | 0 | 0 | 0 | 110.7 | L748 F749 I750 L809 K931 | D709-L748 PolarHBondContact N-O 2.87Å; D709-F749 HydrophobicContact CB-CD1 3.75Å; D709-F749 HydrophobicContact CB-CE1 4.02Å; D709-F749 CarbonylContact O-C 3.54Å; D709-F749 VanDerWaalsContact O-CA 3.25Å; D709-F749 WeakPolarHBondContact O-CA 3.2Å; D709-I750 PolarHBondContact O-N 2.93Å; D709-L809 HydrophobicContact CB-CB 4.01Å; D709-L809 HydrophobicContact CB-CD2 4.17Å; D709-K931 WeakPolarHBondContact OD2-CD 3.27Å; D709-K931 VanDerWaalsContact OD2-CE 3.23Å; D709-K931 WeakPolarHBondContact OD2-CE 3.49Å; D709-K931 IonicContact OD2-NZ 3.26Å; D709-K931 PolarHBondContact OD2-NZ 3.46Å |
| 710 | I | 98.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.2 | 177 | -49.2 | -57.8 | 0 | 0 | 0 | 110.3 | L360 V712 I750 K752 L801 K806 P808 L809 | L360-I710 HydrophobicContact CD1-CD1 4.26Å; L360-I710 HydrophobicContact CD2-CD1 4.19Å; I710-V712 HydrophobicContact CG2-CG2 4.14Å; I710-I750 WeakPolarHBondContact CA-O 3.5Å; I710-I750 HydrophobicContact CD1-CB 3.68Å; I710-I750 HydrophobicContact CD1-CD1 3.87Å; I710-I750 HydrophobicContact CD1-CG1 4.27Å; I710-I750 HydrophobicContact CD1-CG2 4.19Å; I710-K752 HydrophobicContact CG2-CG 4.17Å; I710-L801 HydrophobicContact CG1-CD2 4.44Å; I710-L801 HydrophobicContact CG2-CD1 4.01Å; I710-K806 HydrophobicContact CG1-CB 4.25Å; I710-P808 CarbonylContact O-C 3.57Å; I710-P808 VanDerWaalsContact O-CA 3.26Å; I710-P808 WeakPolarHBondContact O-CA 3.29Å; I710-L809 PolarHBondContact O-N 3.49Å |
| 711 | I | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.2 | 170.9 | -55.6 | -63.3 | 0 | 0 | 0 | 108.3 | I713 F749 I750 F751 K752 L809 V810 L927 | I711-I713 HydrophobicContact CG2-CD1 4Å; I711-I713 HydrophobicContact CG2-CG1 3.8Å; I711-F749 HydrophobicContact CD1-CD1 3.97Å; I711-F749 HydrophobicContact CD1-CE1 4.14Å; I711-F749 HydrophobicContact CD1-CG 4.46Å; I711-F749 HydrophobicContact CG1-CB 3.97Å; I711-F749 HydrophobicContact CG1-CD1 3.76Å; I711-F749 HydrophobicContact CG1-CD2 4.46Å; I711-F749 HydrophobicContact CG1-CE1 4.38Å; I711-F749 HydrophobicContact CG1-CG 3.82Å; I711-I750 PolarHBondContact N-O 3.14Å; I711-F751 HydrophobicContact CB-CD1 3.77Å; I711-F751 HydrophobicContact CB-CE1 3.97Å; I711-F751 HydrophobicContact CB-CG 4.49Å; I711-F751 HydrophobicContact CG1-CD1 4.31Å; I711-F751 HydrophobicContact CG1-CE1 4.06Å; I711-F751 HydrophobicContact CG2-CD1 3.91Å; I711-F751 HydrophobicContact CG2-CE1 4.02Å; I711-F751 WeakPolarHBondContact O-CA 3.44Å; I711-K752 PolarHBondContact O-N 3.39Å; I711-L809 HydrophobicContact CD1-CB 4.06Å; I711-L809 HydrophobicContact CD1-CD2 4.32Å; I711-V810 HydrophobicContact CD1-CB 3.98Å; I711-V810 HydrophobicContact CD1-CG2 4.21Å; I711-L927 HydrophobicContact CD1-CD1 4.42Å; I711-L927 HydrophobicContact CD1-CD2 4.13Å; I711-L927 HydrophobicContact CG1-CD1 4.28Å; I711-L927 HydrophobicContact CG2-CD1 3.81Å |
| 712 | V | 98.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.3 | 176.3 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | I710 K752 I798 L801 P808 V810 Y811 C812 | I710-V712 HydrophobicContact CG2-CG2 4.14Å; V712-K752 VanDerWaalsContact CA-O 3.31Å; V712-K752 WeakPolarHBondContact CA-O 3.27Å; V712-K752 HydrophobicContact CG2-CB 4.13Å; V712-I798 HydrophobicContact CG1-CD1 4.08Å; V712-I798 HydrophobicContact CG1-CG1 4.03Å; V712-I798 HydrophobicContact CG2-CG1 4.37Å; V712-L801 HydrophobicContact CG2-CD1 4.1Å; V712-P808 HydrophobicContact CB-CG 4.43Å; V712-P808 HydrophobicContact CG2-CB 3.87Å; V712-P808 HydrophobicContact CG2-CG 3.49Å; V712-P808 VanDerWaalsContact CG2-CG 3.49Å; V712-V810 PolarHBondContact N-O 3.12Å; V712-Y811 HydrophobicContact CB-CD2 4Å; V712-Y811 HydrophobicContact CG1-CD2 3.78Å; V712-Y811 HydrophobicContact CG1-CE2 4.12Å; V712-Y811 VanDerWaalsContact O-CA 3.29Å; V712-Y811 WeakPolarHBondContact O-CA 3.48Å; V712-C812 PolarHBondContact O-N 3.48Å |
| 713 | I | 98.9 | Very high | 95 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 131.9 | -179.8 | -44 | 177.6 | 0 | 0 | 0 | 109 | I711 M728 L731 F751 K752 I753 I754 C812 F814 F923 | I711-I713 HydrophobicContact CG2-CD1 4Å; I711-I713 HydrophobicContact CG2-CG1 3.8Å; I713-M728 HydrophobicContact CB-CE 4.33Å; I713-M728 HydrophobicContact CG2-CE 3.62Å; I713-L731 HydrophobicContact CD1-CD1 3.62Å; I713-L731 HydrophobicContact CD1-CD2 4.32Å; I713-F751 HydrophobicContact CD1-CD1 4.39Å; I713-K752 PolarHBondContact N-O 2.67Å; I713-I753 HydrophobicContact CB-CG1 4.35Å; I713-I753 CarbonylContact O-C 3.52Å; I713-I753 VanDerWaalsContact O-CA 3.29Å; I713-I753 WeakPolarHBondContact O-CA 3.03Å; I713-I754 PolarHBondContact O-N 3.36Å; I713-C812 WeakPolarHBondContact CA-O 3.48Å; I713-C812 WeakPolarHBondContact CG2-O 3.28Å; I713-F814 HydrophobicContact CG2-CD1 4.33Å; I713-F814 HydrophobicContact CG2-CE1 3.98Å; I713-F814 HydrophobicContact CG2-CE2 4.2Å; I713-F814 HydrophobicContact CG2-CZ 3.92Å; I713-F923 HydrophobicContact CD1-CD1 4.2Å; I713-F923 HydrophobicContact CD1-CE1 3.68Å; I713-F923 HydrophobicContact CG1-CE1 4.34Å |
| 714 | S | 98.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 161.3 | 169.9 | 61 | 0 | 0 | 0 | 0 | 111.2 | I754 Y811 C812 D813 F814 | S714-I754 CarbonylContact C-O 3.58Å; S714-I754 WeakPolarHBondContact CA-O 3.09Å; S714-Y811 PolarHBondContact OG-OH 3.2Å; S714-Y811 VanDerWaalsContact OG-OH 3.12Å; S714-C812 PolarHBondContact N-O 3.36Å; S714-D813 WeakPolarHBondContact O-CA 3.3Å; S714-D813 WeakPolarHBondContact OG-CB 3.29Å; S714-D813 PolarHBondContact OG-OD1 3.07Å; S714-F814 PolarHBondContact O-N 3.34Å |
| 715 | S | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 168.7 | 169 | 92.4 | 0 | 0 | 0 | 0 | 112.9 | V717 I754 P755 M756 L757 | S715-V717 VanDerWaalsContact C-N 3.28Å; S715-V717 PolarHBondContact O-N 2.89Å; S715-I754 PolarHBondContact N-O 3.17Å; S715-P755 PolarHBondContact OG-O 3.29Å; S715-M756 WeakPolarHBondContact O-CA 3.23Å; S715-L757 PolarHBondContact O-N 3.29Å |
| 716 | R | 98.3 | Very high | 96.9 | Very high | 13 Ų | 13 | 16.4 Ų | 16.4 | 5% | 0.049 | 8% | 0.084 | C | C | . | . | trans | 57.8 | 39.2 | 169.3 | -155 | 70.4 | 172.5 | -80.5 | -5.9 | 113.3 | Y653 P719 E721 S724 S725 M756 N758 V762 F814 | Y653-R716 PolarHBondContact O-NH1 3.24Å; Y653-R716 PolarHBondContact O-NH2 3.38Å; Y653-R716 VanDerWaalsContact O-NH2 3.07Å; R716-P719 VanDerWaalsContact CZ-O 3.25Å; R716-P719 PolarHBondContact NE-O 3.07Å; R716-P719 PolarHBondContact NH2-O 3.3Å; R716-E721 WeakPolarHBondContact CD-O 3.39Å; R716-S724 WeakPolarHBondContact CD-OG 3.32Å; R716-S724 PolarHBondContact N-OG 3.37Å; R716-S725 WeakPolarHBondContact CD-OG 3.36Å; R716-S725 PolarHBondContact NH1-OG 3.45Å; R716-M756 HydrophobicContact CB-CB 4.42Å; R716-M756 HydrophobicContact CB-CG 4Å; R716-M756 HydrophobicContact CG-CE 4.21Å; R716-M756 HydrophobicContact CG-CG 4.04Å; R716-N758 PolarHBondContact O-N 3.18Å; R716-V762 HydrophobicContact CG-CG2 3.85Å; R716-F814 PolarHBondContact N-O 3.48Å | ||
| 717 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -66.6 | -28.3 | 166.1 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | S715 L757 N758 L776 N777 D813 H815 | S715-V717 VanDerWaalsContact C-N 3.28Å; S715-V717 PolarHBondContact O-N 2.89Å; V717-L757 HydrophobicContact CB-CB 4.01Å; V717-L757 HydrophobicContact CB-CD1 3.91Å; V717-L757 HydrophobicContact CG2-CB 4.35Å; V717-L757 HydrophobicContact CG2-CD1 4.27Å; V717-N758 WeakPolarHBondContact O-CB 3.44Å; V717-N758 PolarHBondContact O-ND2 3.06Å; V717-L776 HydrophobicContact CG2-CB 3.54Å; V717-L776 HydrophobicContact CG2-CD1 4.42Å; V717-N777 HydrophobicContact CG1-CB 4.21Å; V717-N777 HydrophobicContact CG2-CB 4.18Å; V717-D813 WeakPolarHBondContact CG1-OD2 2.98Å; V717-H815 WeakPolarHBondContact CG1-CE1 3.48Å |
| 718 | H | 97.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 6 Ų | 6 | 2% | 0.019 | 4% | 0.035 | C | C | . | . | S | Bend | trans | -103.4 | 118.8 | 167.1 | -45.4 | 132.1 | 0 | 0 | 0 | 110.1 | G720 E721 R768 D775 N777 H815 | H718-G720 VanDerWaalsContact C-N 3.34Å; H718-G720 PolarHBondContact O-N 2.96Å; H718-E721 HydrophobicContact CB-CB 4.47Å; H718-E721 VanDerWaalsContact CB-CD 3.47Å; H718-E721 HydrophobicContact CB-CG 4.08Å; H718-E721 WeakPolarHBondContact CB-OE1 3.44Å; H718-E721 IonicContact CE1-OE1 3.77Å; H718-E721 IonicContact CE1-OE2 3.47Å; H718-E721 IonicContact CG-OE1 3.46Å; H718-E721 IonicContact CG-OE2 2.65Å; H718-E721 IonicContact ND1-OE1 2.81Å; H718-E721 PolarHBondContact ND1-OE1 3.33Å; H718-E721 IonicContact ND1-OE2 3.58Å; H718-E721 PolarHBondContact ND1-OE2 3.08Å; H718-E721 PolarHBondContact O-N 3.1Å; H718-R768 PolarHBondContact CD2-NH1 3.39Å; H718-R768 VanDerWaalsContact CD2-NH1 3.3Å; H718-R768 PolarHBondContact CE1-NH1 3.07Å; H718-R768 PolarHBondContact CE1-NH2 2.93Å; H718-R768 PolarHBondContact ND1-NH1 3.33Å; H718-R768 PolarHBondContact NE2-NH1 3.04Å; H718-R768 VanDerWaalsContact NE2-NH1 3.12Å; H718-R768 PolarHBondContact NE2-NH2 3.35Å; H718-D775 IonicContact CD2-OD1 3.58Å; H718-D775 IonicContact NE2-OD1 3.64Å; H718-D775 PolarHBondContact NE2-OD1 2.61Å; H718-N777 VanDerWaalsContact NE2-CB 3.34Å; H718-N777 WeakPolarHBondContact NE2-CB 3.41Å; H718-H815 AromaticContact CE1-CE1 3.01Å; H718-H815 PolarHBondContact CE1-CE1 3.23Å; H718-H815 AromaticContact CE1-ND1 3.2Å; H718-H815 PolarHBondContact CE1-ND1 3.25Å; H718-H815 AromaticContact ND1-CE1 3.36Å; H718-H815 PolarHBondContact ND1-CE1 2.77Å; H718-H815 AromaticContact ND1-ND1 3.1Å; H718-H815 PolarHBondContact ND1-ND1 3.47Å; H718-H815 AromaticContact NE2-CE1 3.84Å |
| 719 | P | 97.3 | Very high | 98 | Very high | 4 Ų | 4 | 5.5 Ų | 5.5 | 3% | 0.026 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -34 | -173.6 | -33.1 | 39.6 | 0 | 0 | 0 | 116.4 | R716 E721 N758 G761 V762 N766 R768 | R716-P719 VanDerWaalsContact CZ-O 3.25Å; R716-P719 PolarHBondContact NE-O 3.07Å; R716-P719 PolarHBondContact NH2-O 3.3Å; P719-E721 PolarHBondContact O-N 3.44Å; P719-N758 WeakPolarHBondContact CD-ND2 3.39Å; P719-N758 HydrophobicContact CG-CB 4.17Å; P719-N758 WeakPolarHBondContact CG-ND2 3.34Å; P719-G761 VanDerWaalsContact CB-C 3.48Å; P719-G761 VanDerWaalsContact CG-CA 3.47Å; P719-V762 HydrophobicContact CB-CG2 3.81Å; P719-V762 HydrophobicContact CG-CG2 4.4Å; P719-N766 WeakPolarHBondContact CB-O 3.47Å; P719-N766 HydrophobicContact CG-CB 4.28Å; P719-R768 WeakPolarHBondContact CD-O 3.37Å |
| 720 | G | 94.9 | Very high | 98 | Very high | 21 Ų | 21 | 3.5 Ų | 3.5 | 22% | 0.216 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H718 S722 H767 Y898 | H718-G720 VanDerWaalsContact C-N 3.34Å; H718-G720 PolarHBondContact O-N 2.96Å; G720-S722 VanDerWaalsContact C-N 3.32Å; G720-S722 PolarHBondContact O-N 2.97Å; G720-S722 VanDerWaalsContact O-N 3.08Å; G720-H767 PolarHBondContact N-O 3.41Å; G720-Y898 PolarHBondContact O-OH 3.16Å; G720-Y898 VanDerWaalsContact O-OH 3.07Å |
| 721 | E | 97.1 | Very high | 98 | Very high | 7 Ų | 7 | 3.4 Ų | 3.4 | 3% | 0.033 | 2% | 0.023 | C | C | . | . | trans | -88.3 | 60.2 | -173 | -69.4 | 167.8 | -158.3 | 0 | 0 | 111.9 | R716 H718 P719 N723 S724 R768 H815 G816 Y898 | R716-E721 WeakPolarHBondContact CD-O 3.39Å; H718-E721 HydrophobicContact CB-CB 4.47Å; H718-E721 VanDerWaalsContact CB-CD 3.47Å; H718-E721 HydrophobicContact CB-CG 4.08Å; H718-E721 WeakPolarHBondContact CB-OE1 3.44Å; H718-E721 IonicContact CE1-OE1 3.77Å; H718-E721 IonicContact CE1-OE2 3.47Å; H718-E721 IonicContact CG-OE1 3.46Å; H718-E721 IonicContact CG-OE2 2.65Å; H718-E721 IonicContact ND1-OE1 2.81Å; H718-E721 PolarHBondContact ND1-OE1 3.33Å; H718-E721 IonicContact ND1-OE2 3.58Å; H718-E721 PolarHBondContact ND1-OE2 3.08Å; H718-E721 PolarHBondContact O-N 3.1Å; P719-E721 PolarHBondContact O-N 3.44Å; E721-N723 WeakPolarHBondContact CA-OD1 3.43Å; E721-N723 PolarHBondContact O-N 3.22Å; E721-N723 PolarHBondContact O-OD1 2.67Å; E721-S724 WeakPolarHBondContact O-CB 3.39Å; E721-S724 PolarHBondContact O-N 2.98Å; E721-S724 VanDerWaalsContact O-N 3.08Å; E721-S724 PolarHBondContact O-OG 3.1Å; E721-R768 IonicContact OE1-NH1 3.42Å; E721-H815 WeakPolarHBondContact OE2-CA 3.35Å; E721-H815 WeakPolarHBondContact OE2-CB 3.48Å; E721-H815 IonicContact OE2-CE1 2.79Å; E721-H815 IonicContact OE2-CG 3.73Å; E721-H815 IonicContact OE2-ND1 3.23Å; E721-H815 PolarHBondContact OE2-ND1 3.35Å; E721-G816 PolarHBondContact OE2-N 3.37Å; E721-G816 VanDerWaalsContact OE2-N 3.15Å; E721-Y898 WeakPolarHBondContact CA-OH 3.46Å; E721-Y898 WeakPolarHBondContact CG-OH 3.36Å; E721-Y898 PolarHBondContact N-OH 2.8Å | ||
| 722 | S | 97.3 | Very high | 98 | Very high | 6 Ų | 6 | 3.5 Ų | 3.5 | 4% | 0.042 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63 | -25.2 | -175.7 | 63.7 | 0 | 0 | 0 | 0 | 115.2 | Y651 G720 S724 S725 W726 | Y651-S722 VanDerWaalsContact O-CB 3.24Å; Y651-S722 WeakPolarHBondContact O-CB 3.05Å; Y651-S722 PolarHBondContact O-OG 2.95Å; G720-S722 VanDerWaalsContact C-N 3.32Å; G720-S722 PolarHBondContact O-N 2.97Å; G720-S722 VanDerWaalsContact O-N 3.08Å; S722-S724 PolarHBondContact O-N 3.14Å; S722-S725 WeakPolarHBondContact O-CB 3.31Å; S722-S725 PolarHBondContact O-N 3.46Å; S722-W726 PolarHBondContact O-N 2.91Å |
| 723 | N | 97.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -54.4 | -36.6 | 170.1 | 46 | -6.7 | 0 | 0 | 0 | 113.5 | E721 S725 W726 M727 G816 A896 L916 | E721-N723 WeakPolarHBondContact CA-OD1 3.43Å; E721-N723 PolarHBondContact O-N 3.22Å; E721-N723 PolarHBondContact O-OD1 2.67Å; N723-S725 PolarHBondContact O-N 3.2Å; N723-W726 PolarHBondContact O-N 2.86Å; N723-M727 PolarHBondContact O-N 2.88Å; N723-G816 WeakPolarHBondContact ND2-CA 3.29Å; N723-G816 WeakPolarHBondContact OD1-CA 3.42Å; N723-A896 HydrophobicContact CB-CB 4.29Å; N723-A896 PolarHBondContact ND2-O 3.16Å; N723-L916 HydrophobicContact CB-CD1 3.86Å; N723-L916 HydrophobicContact CB-CD2 3.72Å; N723-L916 HydrophobicContact CB-CG 4.47Å |
| 724 | S | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -58.5 | -38.4 | 174 | 66.6 | 0 | 0 | 0 | 0 | 112.6 | R716 E721 S722 M727 M728 F814 | R716-S724 WeakPolarHBondContact CD-OG 3.32Å; R716-S724 PolarHBondContact N-OG 3.37Å; E721-S724 WeakPolarHBondContact O-CB 3.39Å; E721-S724 PolarHBondContact O-N 2.98Å; E721-S724 VanDerWaalsContact O-N 3.08Å; E721-S724 PolarHBondContact O-OG 3.1Å; S722-S724 PolarHBondContact O-N 3.14Å; S724-M727 PolarHBondContact O-N 2.84Å; S724-M728 WeakPolarHBondContact O-CB 3.31Å; S724-M728 PolarHBondContact O-N 3.47Å; S724-F814 WeakPolarHBondContact CB-O 3.43Å |
| 725 | S | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 6.5 Ų | 6.5 | 1% | 0.014 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -75.4 | -29.3 | 179.1 | -58.4 | 0 | 0 | 0 | 0 | 113 | R716 S722 N723 M728 H729 | R716-S725 WeakPolarHBondContact CD-OG 3.36Å; R716-S725 PolarHBondContact NH1-OG 3.45Å; S722-S725 WeakPolarHBondContact O-CB 3.31Å; S722-S725 PolarHBondContact O-N 3.46Å; N723-S725 PolarHBondContact O-N 3.2Å; S725-M728 PolarHBondContact O-N 3.46Å; S725-H729 WeakPolarHBondContact O-CB 3.3Å; S725-H729 PolarHBondContact O-N 3.08Å |
| 726 | W | 97.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -68.8 | -40.4 | 171.7 | -70.8 | 109.2 | 0 | 0 | 0 | 112.2 | W442 Y473 Y651 P652 Y653 M657 S722 N723 M728 H729 G730 T913 L916 I917 | W442-W726 HydrophobicContact CE3-CZ3 4.5Å; W442-W726 HydrophobicContact CH2-CE3 4.36Å; W442-W726 HydrophobicContact CH2-CH2 4.5Å; W442-W726 AromaticContact CH2-CZ3 3.57Å; W442-W726 HydrophobicContact CH2-CZ3 3.57Å; W442-W726 HydrophobicContact CZ2-CZ3 4.34Å; W442-W726 HydrophobicContact CZ3-CE3 4.49Å; W442-W726 HydrophobicContact CZ3-CH2 4.42Å; W442-W726 AromaticContact CZ3-CZ3 3.61Å; W442-W726 HydrophobicContact CZ3-CZ3 3.61Å; Y473-W726 AromaticContact CD1-CH2 3.35Å; Y473-W726 HydrophobicContact CD1-CH2 3.35Å; Y473-W726 AromaticContact CD1-CZ2 3.56Å; Y473-W726 HydrophobicContact CD1-CZ2 3.56Å; Y473-W726 HydrophobicContact CD2-CH2 4.49Å; Y473-W726 AromaticContact CE1-CH2 3.83Å; Y473-W726 HydrophobicContact CE1-CH2 3.83Å; Y473-W726 AromaticContact CE1-CZ2 3.64Å; Y473-W726 HydrophobicContact CE1-CZ2 3.64Å; Y473-W726 AromaticContact CG-CH2 3.71Å; Y473-W726 HydrophobicContact CG-CH2 3.71Å; Y473-W726 HydrophobicContact CG-CZ2 4.36Å; Y651-W726 PolarHBondContact O-NE1 3.1Å; Y651-W726 VanDerWaalsContact O-NE1 3.11Å; P652-W726 VanDerWaalsContact O-CZ2 3.3Å; P652-W726 WeakPolarHBondContact O-CZ2 3.45Å; Y653-W726 AromaticContact CD2-CD2 3.82Å; Y653-W726 HydrophobicContact CD2-CD2 3.82Å; Y653-W726 AromaticContact CD2-CE2 3.77Å; Y653-W726 HydrophobicContact CD2-CE3 4.05Å; Y653-W726 HydrophobicContact CD2-CG 4.34Å; Y653-W726 HydrophobicContact CD2-CH2 4.2Å; Y653-W726 AromaticContact CD2-CZ2 3.98Å; Y653-W726 HydrophobicContact CD2-CZ2 3.98Å; Y653-W726 HydrophobicContact CD2-CZ3 4.23Å; Y653-W726 HydrophobicContact CE2-CD2 4.45Å; Y653-W726 HydrophobicContact CE2-CE3 4.29Å; Y653-W726 HydrophobicContact CE2-CZ3 4.42Å; M657-W726 HydrophobicContact CE-CH2 3.65Å; M657-W726 HydrophobicContact CE-CZ2 4.48Å; M657-W726 HydrophobicContact CE-CZ3 3.99Å; M657-W726 HydrophobicContact SD-CH2 4.37Å; S722-W726 PolarHBondContact O-N 2.91Å; N723-W726 PolarHBondContact O-N 2.86Å; W726-M728 VanDerWaalsContact C-N 3.34Å; W726-H729 WeakPolarHBondContact O-CB 3.22Å; W726-H729 PolarHBondContact O-N 3.02Å; W726-G730 PolarHBondContact O-N 3.35Å; W726-G730 VanDerWaalsContact O-N 3.1Å; W726-T913 HydrophobicContact CD2-CG2 3.65Å; W726-T913 HydrophobicContact CE3-CG2 3.92Å; W726-T913 HydrophobicContact CG-CG2 4.23Å; W726-T913 HydrophobicContact CH2-CG2 3.95Å; W726-T913 HydrophobicContact CZ2-CG2 3.68Å; W726-T913 HydrophobicContact CZ3-CG2 4.06Å; W726-L916 HydrophobicContact CB-CB 3.55Å; W726-L916 HydrophobicContact CB-CD1 3.82Å; W726-L916 HydrophobicContact CB-CG 4.27Å; W726-L916 HydrophobicContact CG-CD1 4.18Å; W726-I917 HydrophobicContact CE3-CD1 4.36Å |
| 727 | M | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 170.4 | -66.4 | -172.3 | -67 | 0 | 0 | 111.3 | N723 S724 H729 G730 L731 F814 I823 M894 A896 L916 M919 G920 | N723-M727 PolarHBondContact O-N 2.88Å; S724-M727 PolarHBondContact O-N 2.84Å; M727-H729 VanDerWaalsContact C-N 3.31Å; M727-H729 PolarHBondContact O-N 2.97Å; M727-G730 PolarHBondContact O-N 3.19Å; M727-L731 WeakPolarHBondContact O-CB 3.11Å; M727-L731 PolarHBondContact O-N 2.97Å; M727-F814 HydrophobicContact CB-CD2 3.88Å; M727-F814 HydrophobicContact CB-CE2 4.09Å; M727-F814 HydrophobicContact CE-CB 4.12Å; M727-F814 HydrophobicContact CE-CD2 4.44Å; M727-F814 HydrophobicContact CE-CG 4.29Å; M727-I823 HydrophobicContact SD-CD1 4.27Å; M727-I823 HydrophobicContact SD-CG2 4.36Å; M727-M894 HydrophobicContact CE-CE 4.27Å; M727-M894 HydrophobicContact SD-CE 3.79Å; M727-A896 HydrophobicContact CE-CB 3.75Å; M727-A896 HydrophobicContact SD-CB 3.86Å; M727-L916 VanDerWaalsContact CA-O 3.28Å; M727-L916 WeakPolarHBondContact CA-O 3.24Å; M727-L916 HydrophobicContact CG-CB 4.17Å; M727-L916 HydrophobicContact CG-CD2 3.84Å; M727-L916 WeakPolarHBondContact CG-O 3.39Å; M727-L916 HydrophobicContact SD-CD2 4.38Å; M727-M919 HydrophobicContact CG-CB 4.3Å; M727-M919 HydrophobicContact CG-CG 4.5Å; M727-M919 HydrophobicContact SD-CB 4.33Å; M727-M919 HydrophobicContact SD-CG 3.92Å; M727-G920 WeakPolarHBondContact O-CA 3.31Å |
| 728 | M | 98.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 13.4 Ų | 13.4 | 2% | 0.02 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.2 | -39.9 | 174.9 | -173.8 | 59.1 | 70 | 0 | 0 | 112 | I713 S724 S725 W726 L731 L732 I753 P755 F814 | I713-M728 HydrophobicContact CB-CE 4.33Å; I713-M728 HydrophobicContact CG2-CE 3.62Å; S724-M728 WeakPolarHBondContact O-CB 3.31Å; S724-M728 PolarHBondContact O-N 3.47Å; S725-M728 PolarHBondContact O-N 3.46Å; W726-M728 VanDerWaalsContact C-N 3.34Å; M728-L731 PolarHBondContact O-N 3.19Å; M728-L731 HydrophobicContact SD-CD2 4.39Å; M728-L732 HydrophobicContact CG-CD1 4.21Å; M728-L732 HydrophobicContact CG-CG 4.43Å; M728-L732 VanDerWaalsContact O-CG 3.26Å; M728-L732 WeakPolarHBondContact O-CG 3.2Å; M728-L732 PolarHBondContact O-N 3.33Å; M728-L732 HydrophobicContact SD-CG 4.28Å; M728-I753 HydrophobicContact CE-CG2 3.74Å; M728-I753 HydrophobicContact SD-CG2 3.34Å; M728-I753 WeakPolarHBondContact SD-CG2 3.23Å; M728-P755 HydrophobicContact CG-CB 4.07Å; M728-F814 HydrophobicContact CE-CD2 4.17Å; M728-F814 HydrophobicContact CE-CE2 4.4Å |
| 729 | H | 97.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 17.5 Ų | 17.5 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 178.9 | -169.6 | 101.3 | 0 | 0 | 0 | 111.8 | W442 Y653 H661 S725 W726 M727 L732 N733 | W442-H729 AromaticContact CE3-CE1 3.75Å; W442-H729 AromaticContact CE3-NE2 3.71Å; W442-H729 AromaticContact CH2-NE2 3.95Å; W442-H729 AromaticContact CZ3-CD2 3.54Å; W442-H729 AromaticContact CZ3-CE1 3.41Å; W442-H729 VanDerWaalsContact CZ3-CE1 3.41Å; W442-H729 WeakPolarHBondContact CZ3-CE1 3.13Å; W442-H729 AromaticContact CZ3-ND1 3.95Å; W442-H729 AromaticContact CZ3-NE2 3.12Å; W442-H729 WeakPolarHBondContact CZ3-NE2 3.47Å; Y653-H729 HydrophobicContact CE2-CB 3.92Å; Y653-H729 AromaticContact CE2-ND1 3.62Å; Y653-H729 AromaticContact CZ-ND1 3.75Å; Y653-H729 PolarHBondContact OH-ND1 2.87Å; H661-H729 AromaticContact CD2-CE1 3.31Å; H661-H729 PolarHBondContact CD2-CE1 3.45Å; H661-H729 AromaticContact CD2-ND1 4Å; H661-H729 AromaticContact CD2-NE2 3.86Å; H661-H729 AromaticContact CE1-CE1 3.34Å; H661-H729 PolarHBondContact CE1-CE1 2.97Å; H661-H729 AromaticContact CE1-CG 3.78Å; H661-H729 AromaticContact CE1-ND1 3.35Å; H661-H729 PolarHBondContact CE1-ND1 2.86Å; H661-H729 AromaticContact CE1-NE2 3.75Å; H661-H729 AromaticContact CG-CE1 3.33Å; H661-H729 AromaticContact CG-ND1 3.63Å; H661-H729 AromaticContact ND1-CE1 3.37Å; H661-H729 PolarHBondContact ND1-CE1 3.37Å; H661-H729 AromaticContact ND1-ND1 3.22Å; H661-H729 PolarHBondContact ND1-ND1 3.46Å; H661-H729 AromaticContact NE2-CE1 3.31Å; H661-H729 PolarHBondContact NE2-CE1 3.11Å; H661-H729 VanDerWaalsContact NE2-CE1 3.31Å; H661-H729 AromaticContact NE2-ND1 3.82Å; H661-H729 AromaticContact NE2-NE2 3.52Å; S725-H729 WeakPolarHBondContact O-CB 3.3Å; S725-H729 PolarHBondContact O-N 3.08Å; W726-H729 WeakPolarHBondContact O-CB 3.22Å; W726-H729 PolarHBondContact O-N 3.02Å; M727-H729 VanDerWaalsContact C-N 3.31Å; M727-H729 PolarHBondContact O-N 2.97Å; H729-L732 PolarHBondContact O-N 3.44Å; H729-N733 PolarHBondContact CD2-ND2 3.33Å; H729-N733 PolarHBondContact NE2-ND2 2.77Å; H729-N733 PolarHBondContact O-N 3.18Å; H729-N733 VanDerWaalsContact O-N 3.1Å |
| 730 | G | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W726 M727 L732 N733 Y734 | W726-G730 PolarHBondContact O-N 3.35Å; W726-G730 VanDerWaalsContact O-N 3.1Å; M727-G730 PolarHBondContact O-N 3.19Å; G730-L732 VanDerWaalsContact C-N 3.34Å; G730-L732 PolarHBondContact O-N 3.14Å; G730-N733 PolarHBondContact O-N 3.16Å; G730-Y734 VanDerWaalsContact O-CB 3.3Å; G730-Y734 WeakPolarHBondContact O-CB 2.88Å; G730-Y734 PolarHBondContact O-N 2.94Å |
| 731 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.1 | -48.1 | 175.1 | -176.7 | 152.5 | 0 | 0 | 0 | 111.8 | I713 M727 M728 Y734 L735 I753 F814 F923 I924 | I713-L731 HydrophobicContact CD1-CD1 3.62Å; I713-L731 HydrophobicContact CD1-CD2 4.32Å; M727-L731 WeakPolarHBondContact O-CB 3.11Å; M727-L731 PolarHBondContact O-N 2.97Å; M728-L731 PolarHBondContact O-N 3.19Å; M728-L731 HydrophobicContact SD-CD2 4.39Å; L731-Y734 PolarHBondContact O-N 2.89Å; L731-L735 HydrophobicContact CD2-CD2 4.49Å; L731-L735 WeakPolarHBondContact O-CB 3.1Å; L731-L735 PolarHBondContact O-N 2.92Å; L731-I753 HydrophobicContact CD2-CD1 3.67Å; L731-F814 HydrophobicContact CD1-CE2 3.93Å; L731-F814 HydrophobicContact CD1-CZ 3.91Å; L731-F923 HydrophobicContact CD1-CD1 3.73Å; L731-F923 HydrophobicContact CD1-CE1 4.43Å; L731-F923 HydrophobicContact CD1-CG 4.45Å; L731-I924 HydrophobicContact CD1-CD1 3.89Å; L731-I924 HydrophobicContact CD1-CG1 4.32Å; L731-I924 HydrophobicContact CD2-CD1 4.09Å; L731-I924 HydrophobicContact CG-CD1 3.72Å; L731-I924 HydrophobicContact CG-CG1 3.86Å |
| 732 | L | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.3 | -46.1 | -178.9 | -69.1 | 176.3 | 0 | 0 | 0 | 112.1 | L662 L665 L694 I696 M728 H729 G730 Y734 L735 V736 I753 | L662-L732 HydrophobicContact CD2-CD1 4.06Å; L665-L732 HydrophobicContact CD1-CB 4.15Å; L694-L732 HydrophobicContact CD1-CD1 3.79Å; L694-L732 HydrophobicContact CD1-CD2 3.5Å; L694-L732 VanDerWaalsContact CD1-CD2 3.5Å; L694-L732 HydrophobicContact CD1-CG 4.31Å; I696-L732 HydrophobicContact CD1-CD2 3.73Å; M728-L732 HydrophobicContact CG-CD1 4.21Å; M728-L732 HydrophobicContact CG-CG 4.43Å; M728-L732 VanDerWaalsContact O-CG 3.26Å; M728-L732 WeakPolarHBondContact O-CG 3.2Å; M728-L732 PolarHBondContact O-N 3.33Å; M728-L732 HydrophobicContact SD-CG 4.28Å; H729-L732 PolarHBondContact O-N 3.44Å; G730-L732 VanDerWaalsContact C-N 3.34Å; G730-L732 PolarHBondContact O-N 3.14Å; L732-Y734 VanDerWaalsContact C-N 3.35Å; L732-Y734 PolarHBondContact O-N 3.34Å; L732-L735 PolarHBondContact O-N 2.9Å; L732-V736 WeakPolarHBondContact O-CG2 3.41Å; L732-V736 PolarHBondContact O-N 3.1Å; L732-I753 HydrophobicContact CD2-CD1 3.7Å; L732-I753 HydrophobicContact CD2-CG2 4.31Å |
| 733 | N | 96.7 | Very high | 97.5 | Very high | 57 Ų | 57 | 27.9 Ų | 27.9 | 31% | 0.305 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 178 | -73.2 | -12.4 | 0 | 0 | 0 | 111.6 | H661 H729 G730 S737 | H661-N733 PolarHBondContact NE2-OD1 3.46Å; H729-N733 PolarHBondContact CD2-ND2 3.33Å; H729-N733 PolarHBondContact NE2-ND2 2.77Å; H729-N733 PolarHBondContact O-N 3.18Å; H729-N733 VanDerWaalsContact O-N 3.1Å; G730-N733 PolarHBondContact O-N 3.16Å; N733-S737 WeakPolarHBondContact O-CB 3.3Å; N733-S737 PolarHBondContact O-N 3.35Å |
| 734 | Y | 98.2 | Very high | 97.5 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.2 | -47.6 | 178.4 | -177.3 | -116.5 | 0 | 0 | 0 | 111.4 | G730 L731 L732 V736 S737 Q739 R741 A742 E921 I924 D925 | G730-Y734 VanDerWaalsContact O-CB 3.3Å; G730-Y734 WeakPolarHBondContact O-CB 2.88Å; G730-Y734 PolarHBondContact O-N 2.94Å; L731-Y734 PolarHBondContact O-N 2.89Å; L732-Y734 VanDerWaalsContact C-N 3.35Å; L732-Y734 PolarHBondContact O-N 3.34Å; Y734-V736 VanDerWaalsContact C-N 3.25Å; Y734-V736 PolarHBondContact O-N 2.8Å; Y734-S737 VanDerWaalsContact O-CB 3.26Å; Y734-S737 WeakPolarHBondContact O-CB 3.45Å; Y734-S737 PolarHBondContact O-N 2.87Å; Y734-S737 PolarHBondContact O-OG 3.44Å; Y734-Q739 HydrophobicContact CE2-CB 4.09Å; Y734-Q739 HydrophobicContact CE2-CG 4.36Å; Y734-R741 WeakPolarHBondContact OH-CB 3.29Å; Y734-A742 HydrophobicContact CD1-CB 4.42Å; Y734-A742 HydrophobicContact CE1-CB 4.3Å; Y734-A742 HydrophobicContact CE2-CB 4.44Å; Y734-A742 WeakPolarHBondContact O-CB 3.5Å; Y734-E921 HydrophobicContact CD1-CB 3.94Å; Y734-E921 HydrophobicContact CD2-CB 3.99Å; Y734-E921 HydrophobicContact CD2-CG 4.21Å; Y734-E921 HydrophobicContact CE1-CB 4.34Å; Y734-E921 HydrophobicContact CE2-CB 4.41Å; Y734-E921 HydrophobicContact CG-CB 3.74Å; Y734-E921 HydrophobicContact CG-CG 4Å; Y734-I924 HydrophobicContact CD1-CB 3.71Å; Y734-I924 HydrophobicContact CD1-CG1 4.01Å; Y734-I924 HydrophobicContact CD1-CG2 3.94Å; Y734-I924 HydrophobicContact CE1-CB 3.75Å; Y734-I924 HydrophobicContact CE1-CG2 3.76Å; Y734-D925 PolarHBondContact OH-OD1 2.97Å |
| 735 | L | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -28.7 | -176.2 | -174.8 | 62.2 | 0 | 0 | 0 | 113.4 | I696 L731 L732 A745 R746 F751 I753 I924 | I696-L735 HydrophobicContact CB-CD2 3.87Å; I696-L735 HydrophobicContact CB-CG 4.49Å; I696-L735 HydrophobicContact CD1-CD2 3.99Å; I696-L735 HydrophobicContact CG1-CD2 4.47Å; I696-L735 HydrophobicContact CG2-CD2 3.81Å; I696-L735 HydrophobicContact CG2-CG 3.87Å; L731-L735 HydrophobicContact CD2-CD2 4.49Å; L731-L735 WeakPolarHBondContact O-CB 3.1Å; L731-L735 PolarHBondContact O-N 2.92Å; L732-L735 PolarHBondContact O-N 2.9Å; L735-A745 HydrophobicContact CD1-CB 4.21Å; L735-R746 HydrophobicContact CD1-CG 3.95Å; L735-R746 HydrophobicContact CG-CG 4.47Å; L735-R746 VanDerWaalsContact O-CD 3.29Å; L735-R746 WeakPolarHBondContact O-CD 3.24Å; L735-R746 PolarHBondContact O-NH1 3.36Å; L735-F751 HydrophobicContact CD1-CD2 3.86Å; L735-F751 HydrophobicContact CD1-CE1 4.41Å; L735-F751 HydrophobicContact CD1-CE2 3.43Å; L735-F751 VanDerWaalsContact CD1-CE2 3.43Å; L735-F751 HydrophobicContact CD1-CG 4.5Å; L735-F751 HydrophobicContact CD1-CZ 3.75Å; L735-F751 HydrophobicContact CD2-CB 3.98Å; L735-F751 HydrophobicContact CD2-CD1 3.95Å; L735-F751 HydrophobicContact CD2-CD2 3.63Å; L735-F751 HydrophobicContact CD2-CE1 4.34Å; L735-F751 HydrophobicContact CD2-CE2 4.04Å; L735-F751 HydrophobicContact CD2-CG 3.57Å; L735-F751 HydrophobicContact CD2-CZ 4.38Å; L735-F751 HydrophobicContact CG-CD2 4.31Å; L735-F751 HydrophobicContact CG-CE2 4.36Å; L735-I753 HydrophobicContact CD2-CD1 4.14Å; L735-I924 HydrophobicContact CD1-CD1 4.37Å; L735-I924 HydrophobicContact CD1-CG2 4.33Å |
| 736 | V | 96.4 | Very high | 97.4 | Very high | 20 Ų | 20 | 30.8 Ų | 30.8 | 12% | 0.121 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -1.5 | 175.2 | -54.4 | 0 | 0 | 0 | 0 | 113.6 | L665 L669 F677 I696 L732 Y734 | L665-V736 HydrophobicContact CD2-CG2 4.03Å; L669-V736 HydrophobicContact CD1-CB 3.99Å; L669-V736 HydrophobicContact CD1-CG1 3.92Å; L669-V736 HydrophobicContact CD1-CG2 4.49Å; L669-V736 HydrophobicContact CD2-CB 4.35Å; F677-V736 HydrophobicContact CD2-CG1 3.82Å; F677-V736 HydrophobicContact CE2-CG1 4.2Å; I696-V736 HydrophobicContact CD1-CG1 4.27Å; I696-V736 HydrophobicContact CG2-CG1 4.18Å; L732-V736 WeakPolarHBondContact O-CG2 3.41Å; L732-V736 PolarHBondContact O-N 3.1Å; Y734-V736 VanDerWaalsContact C-N 3.25Å; Y734-V736 PolarHBondContact O-N 2.8Å |
| 737 | S | 95.6 | Very high | 97.4 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -74.8 | 161.7 | 179.4 | 79.3 | 0 | 0 | 0 | 0 | 112.2 | N733 Y734 Q739 R746 | N733-S737 WeakPolarHBondContact O-CB 3.3Å; N733-S737 PolarHBondContact O-N 3.35Å; Y734-S737 VanDerWaalsContact O-CB 3.26Å; Y734-S737 WeakPolarHBondContact O-CB 3.45Å; Y734-S737 PolarHBondContact O-N 2.87Å; Y734-S737 PolarHBondContact O-OG 3.44Å; S737-Q739 PolarHBondContact O-N 3.02Å; S737-Q739 WeakPolarHBondContact OG-CG 3.47Å; S737-Q739 PolarHBondContact OG-N 3.19Å; S737-R746 PolarHBondContact O-NH1 3.38Å; S737-R746 PolarHBondContact O-NH2 2.96Å |
| 738 | P | 94.5 | Very high | 97.3 | Very high | 118 Ų | 118 | 35.2 Ų | 35.2 | 77% | 0.766 | 20% | 0.197 | S | C | * | . | trans | -79.7 | 10.1 | 174.9 | 34.3 | -37.1 | 0 | 0 | 0 | 113.4 | ||||
| 739 | Q | 96.8 | Very high | 97.2 | Very high | 91 Ų | 91 | 35 Ų | 35 | 43% | 0.425 | 20% | 0.196 | S | C | . | . | trans | -64.9 | 137.9 | -178.8 | -66.9 | -164.8 | 41 | 0 | 0 | 111.1 | Y734 S737 R741 A742 C743 | Y734-Q739 HydrophobicContact CE2-CB 4.09Å; Y734-Q739 HydrophobicContact CE2-CG 4.36Å; S737-Q739 PolarHBondContact O-N 3.02Å; S737-Q739 WeakPolarHBondContact OG-CG 3.47Å; S737-Q739 PolarHBondContact OG-N 3.19Å; Q739-R741 VanDerWaalsContact C-N 3.32Å; Q739-R741 PolarHBondContact O-N 3.18Å; Q739-R741 VanDerWaalsContact O-N 3.17Å; Q739-A742 HydrophobicContact CB-CB 4.32Å; Q739-A742 WeakPolarHBondContact O-CA 3.21Å; Q739-A742 WeakPolarHBondContact O-CB 3.34Å; Q739-A742 PolarHBondContact O-N 3.47Å; Q739-C743 PolarHBondContact O-N 3.46Å; Q739-C743 PolarHBondContact O-SG 3.41Å; Q739-C743 VanDerWaalsContact O-SG 3.33Å | ||
| 740 | P | 97.4 | Very high | 97.3 | Very high | 112 Ų | 112 | 34.6 Ų | 34.6 | 73% | 0.727 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -53.9 | -42.2 | -172.9 | -29.7 | 35.2 | 0 | 0 | 0 | 114.8 | C743 L744 | P740-C743 PolarHBondContact O-N 2.77Å; P740-L744 WeakPolarHBondContact O-CB 3.31Å; P740-L744 PolarHBondContact O-N 3.24Å |
| 741 | R | 97.4 | Very high | 97.3 | Very high | 101 Ų | 101 | 34.6 Ų | 34.6 | 38% | 0.381 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.9 | -34.3 | 177.9 | -82.2 | -77 | 179.5 | 161.3 | -8.1 | 112.7 | Y734 Q739 L744 A745 D925 V928 E932 | Y734-R741 WeakPolarHBondContact OH-CB 3.29Å; Q739-R741 VanDerWaalsContact C-N 3.32Å; Q739-R741 PolarHBondContact O-N 3.18Å; Q739-R741 VanDerWaalsContact O-N 3.17Å; R741-L744 PolarHBondContact O-N 3.19Å; R741-A745 WeakPolarHBondContact O-CB 3.44Å; R741-A745 PolarHBondContact O-N 2.82Å; R741-D925 WeakPolarHBondContact CB-OD1 3.49Å; R741-V928 VanDerWaalsContact NH1-CG1 3.34Å; R741-E932 IonicContact CZ-OE2 3.89Å; R741-E932 IonicContact NH1-OE1 2.76Å; R741-E932 IonicContact NH1-OE2 3.86Å; R741-E932 PolarHBondContact NH1-OE2 3.29Å; R741-E932 IonicContact NH2-OE1 2.72Å; R741-E932 IonicContact NH2-OE2 3.71Å |
| 742 | A | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.6 | -41.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y734 Q739 L744 A745 R746 | Y734-A742 HydrophobicContact CD1-CB 4.42Å; Y734-A742 HydrophobicContact CE1-CB 4.3Å; Y734-A742 HydrophobicContact CE2-CB 4.44Å; Y734-A742 WeakPolarHBondContact O-CB 3.5Å; Q739-A742 HydrophobicContact CB-CB 4.32Å; Q739-A742 WeakPolarHBondContact O-CA 3.21Å; Q739-A742 WeakPolarHBondContact O-CB 3.34Å; Q739-A742 PolarHBondContact O-N 3.47Å; A742-L744 VanDerWaalsContact C-N 3.34Å; A742-L744 PolarHBondContact O-N 3.16Å; A742-A745 WeakPolarHBondContact O-CB 3.12Å; A742-A745 PolarHBondContact O-N 3.22Å; A742-R746 WeakPolarHBondContact O-CG 3.38Å; A742-R746 PolarHBondContact O-N 3.05Å |
| 743 | C | 97.2 | Very high | 97.4 | Very high | 43 Ų | 43 | 34.5 Ų | 34.5 | 29% | 0.291 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59 | -46.1 | 172.8 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | Q739 P740 A745 R746 S747 | Q739-C743 PolarHBondContact O-N 3.46Å; Q739-C743 PolarHBondContact O-SG 3.41Å; Q739-C743 VanDerWaalsContact O-SG 3.33Å; P740-C743 PolarHBondContact O-N 2.77Å; C743-A745 PolarHBondContact O-N 3.01Å; C743-R746 PolarHBondContact O-N 3Å; C743-R746 PolarHBondContact SG-NH2 3.03Å; C743-S747 PolarHBondContact O-N 3.42Å |
| 744 | L | 97.5 | Very high | 97.5 | Very high | 59 Ų | 59 | 32 Ų | 32 | 31% | 0.309 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.6 | -41 | 175.1 | 179.4 | 57.5 | 0 | 0 | 0 | 112 | P740 R741 A742 R746 S747 L748 V928 | P740-L744 WeakPolarHBondContact O-CB 3.31Å; P740-L744 PolarHBondContact O-N 3.24Å; R741-L744 PolarHBondContact O-N 3.19Å; A742-L744 VanDerWaalsContact C-N 3.34Å; A742-L744 PolarHBondContact O-N 3.16Å; L744-R746 VanDerWaalsContact C-N 3.34Å; L744-R746 PolarHBondContact O-N 3.27Å; L744-S747 WeakPolarHBondContact CA-OG 3.5Å; L744-S747 PolarHBondContact O-N 3.28Å; L744-S747 PolarHBondContact O-OG 2.96Å; L744-L748 HydrophobicContact CD1-CD1 3.9Å; L744-L748 HydrophobicContact CD1-CG 4.03Å; L744-L748 HydrophobicContact CG-CD1 3.92Å; L744-L748 HydrophobicContact CG-CG 4.47Å; L744-L748 WeakPolarHBondContact O-CB 3.4Å; L744-L748 VanDerWaalsContact O-CG 3.23Å; L744-L748 WeakPolarHBondContact O-CG 3.38Å; L744-L748 PolarHBondContact O-N 3.28Å; L744-V928 HydrophobicContact CD2-CG1 3.58Å; L744-V928 HydrophobicContact CG-CG1 3.94Å |
| 745 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L735 R741 A742 C743 S747 L748 F749 F751 I924 V928 | L735-A745 HydrophobicContact CD1-CB 4.21Å; R741-A745 WeakPolarHBondContact O-CB 3.44Å; R741-A745 PolarHBondContact O-N 2.82Å; A742-A745 WeakPolarHBondContact O-CB 3.12Å; A742-A745 PolarHBondContact O-N 3.22Å; C743-A745 PolarHBondContact O-N 3.01Å; A745-S747 VanDerWaalsContact C-N 3.3Å; A745-S747 PolarHBondContact O-N 3.18Å; A745-L748 PolarHBondContact O-N 3.29Å; A745-F749 HydrophobicContact CB-CD2 4.42Å; A745-F749 WeakPolarHBondContact O-CB 3.26Å; A745-F749 VanDerWaalsContact O-CD2 3.26Å; A745-F749 WeakPolarHBondContact O-CD2 3.37Å; A745-F749 PolarHBondContact O-N 3.05Å; A745-F751 HydrophobicContact CB-CE2 4.35Å; A745-F751 HydrophobicContact CB-CZ 4.16Å; A745-I924 HydrophobicContact CB-CG2 3.47Å; A745-I924 VanDerWaalsContact CB-CG2 3.47Å; A745-V928 HydrophobicContact CB-CG2 3.65Å |
| 746 | R | 97.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.011 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.3 | -31.6 | 176.4 | -71 | -165.3 | -56.9 | -83.7 | 8.6 | 113.1 | D674 T697 D698 R708 L735 S737 A742 C743 L744 | D674-R746 IonicContact OD2-NH2 3.65Å; T697-R746 PolarHBondContact OG1-O 3.39Å; D698-R746 HydrophobicContact CB-CB 3.92Å; D698-R746 WeakPolarHBondContact CB-O 3.48Å; D698-R746 PolarHBondContact N-O 3.1Å; D698-R746 VanDerWaalsContact N-O 3.13Å; R708-R746 PolarHBondContact NH1-O 2.95Å; L735-R746 HydrophobicContact CD1-CG 3.95Å; L735-R746 HydrophobicContact CG-CG 4.47Å; L735-R746 VanDerWaalsContact O-CD 3.29Å; L735-R746 WeakPolarHBondContact O-CD 3.24Å; L735-R746 PolarHBondContact O-NH1 3.36Å; S737-R746 PolarHBondContact O-NH1 3.38Å; S737-R746 PolarHBondContact O-NH2 2.96Å; A742-R746 WeakPolarHBondContact O-CG 3.38Å; A742-R746 PolarHBondContact O-N 3.05Å; C743-R746 PolarHBondContact O-N 3Å; C743-R746 PolarHBondContact SG-NH2 3.03Å; L744-R746 VanDerWaalsContact C-N 3.34Å; L744-R746 PolarHBondContact O-N 3.27Å |
| 747 | S | 95.7 | Very high | 97.6 | Very high | 49 Ų | 49 | 30.9 Ų | 30.9 | 34% | 0.343 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -76.7 | -25.2 | 176.8 | 73.9 | 0 | 0 | 0 | 0 | 113.2 | R708 C743 L744 A745 | R708-S747 PolarHBondContact NE-O 3.24Å; C743-S747 PolarHBondContact O-N 3.42Å; L744-S747 WeakPolarHBondContact CA-OG 3.5Å; L744-S747 PolarHBondContact O-N 3.28Å; L744-S747 PolarHBondContact O-OG 2.96Å; A745-S747 VanDerWaalsContact C-N 3.3Å; A745-S747 PolarHBondContact O-N 3.18Å |
| 748 | L | 96.8 | Very high | 97.8 | Very high | 44 Ų | 44 | 30.2 Ų | 30.2 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -90.4 | -31.2 | 179.9 | -68.2 | 172.6 | 0 | 0 | 0 | 113.5 | R708 D709 L744 A745 V928 K931 | R708-L748 WeakPolarHBondContact CB-O 3.04Å; D709-L748 PolarHBondContact N-O 2.87Å; L744-L748 HydrophobicContact CD1-CD1 3.9Å; L744-L748 HydrophobicContact CD1-CG 4.03Å; L744-L748 HydrophobicContact CG-CD1 3.92Å; L744-L748 HydrophobicContact CG-CG 4.47Å; L744-L748 WeakPolarHBondContact O-CB 3.4Å; L744-L748 VanDerWaalsContact O-CG 3.23Å; L744-L748 WeakPolarHBondContact O-CG 3.38Å; L744-L748 PolarHBondContact O-N 3.28Å; A745-L748 PolarHBondContact O-N 3.29Å; L748-V928 HydrophobicContact CD1-CG1 4.14Å; L748-K931 HydrophobicContact CD1-CG 4.24Å; L748-K931 HydrophobicContact CD2-CG 4.32Å |
| 749 | F | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 155.5 | -166.1 | -54.2 | -63.8 | 0 | 0 | 0 | 114 | T697 D709 I711 A745 F751 L809 L927 V928 K931 | T697-F749 WeakPolarHBondContact CB-O 3.49Å; T697-F749 PolarHBondContact OG1-O 2.78Å; D709-F749 HydrophobicContact CB-CD1 3.75Å; D709-F749 HydrophobicContact CB-CE1 4.02Å; D709-F749 CarbonylContact O-C 3.54Å; D709-F749 VanDerWaalsContact O-CA 3.25Å; D709-F749 WeakPolarHBondContact O-CA 3.2Å; I711-F749 HydrophobicContact CD1-CD1 3.97Å; I711-F749 HydrophobicContact CD1-CE1 4.14Å; I711-F749 HydrophobicContact CD1-CG 4.46Å; I711-F749 HydrophobicContact CG1-CB 3.97Å; I711-F749 HydrophobicContact CG1-CD1 3.76Å; I711-F749 HydrophobicContact CG1-CD2 4.46Å; I711-F749 HydrophobicContact CG1-CE1 4.38Å; I711-F749 HydrophobicContact CG1-CG 3.82Å; A745-F749 HydrophobicContact CB-CD2 4.42Å; A745-F749 WeakPolarHBondContact O-CB 3.26Å; A745-F749 VanDerWaalsContact O-CD2 3.26Å; A745-F749 WeakPolarHBondContact O-CD2 3.37Å; A745-F749 PolarHBondContact O-N 3.05Å; F749-F751 HydrophobicContact CB-CD2 4.06Å; F749-F751 HydrophobicContact CB-CE2 3.54Å; F749-F751 HydrophobicContact CB-CZ 3.82Å; F749-F751 HydrophobicContact CD2-CE2 4.14Å; F749-F751 AromaticContact CD2-CZ 3.75Å; F749-F751 HydrophobicContact CD2-CZ 3.75Å; F749-F751 HydrophobicContact CG-CE2 4.3Å; F749-F751 HydrophobicContact CG-CZ 4.14Å; F749-L809 HydrophobicContact CE1-CD2 3.83Å; F749-L927 HydrophobicContact CE2-CB 4.05Å; F749-L927 HydrophobicContact CZ-CB 4.35Å; F749-L927 WeakPolarHBondContact CZ-O 3.19Å; F749-V928 HydrophobicContact CE2-CG2 4.37Å; F749-K931 HydrophobicContact CE1-CB 4.14Å; F749-K931 HydrophobicContact CE1-CD 4.49Å; F749-K931 HydrophobicContact CE1-CG 4.32Å; F749-K931 HydrophobicContact CZ-CB 3.63Å; F749-K931 HydrophobicContact CZ-CG 4.16Å |
| 750 | I | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.5 | 158.8 | -60.9 | 165.9 | 0 | 0 | 0 | 108 | E359 L360 T695 T697 L705 R708 D709 I710 I711 | E359-I750 HydrophobicContact CG-CD1 4.3Å; L360-I750 HydrophobicContact CD2-CD1 3.61Å; T695-I750 HydrophobicContact CG2-CG2 3.99Å; T697-I750 HydrophobicContact CG2-CG1 4.35Å; L705-I750 HydrophobicContact CB-CD1 4.08Å; L705-I750 WeakPolarHBondContact O-CD1 3.42Å; R708-I750 HydrophobicContact CB-CD1 4.32Å; R708-I750 HydrophobicContact CB-CG1 4.11Å; D709-I750 PolarHBondContact O-N 2.93Å; I710-I750 WeakPolarHBondContact CA-O 3.5Å; I710-I750 HydrophobicContact CD1-CB 3.68Å; I710-I750 HydrophobicContact CD1-CD1 3.87Å; I710-I750 HydrophobicContact CD1-CG1 4.27Å; I710-I750 HydrophobicContact CD1-CG2 4.19Å; I711-I750 PolarHBondContact N-O 3.14Å |
| 751 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.3 | 179.3 | -65.1 | -93.8 | 0 | 0 | 0 | 110.5 | T695 I696 I711 I713 L735 A745 F749 I753 I924 L927 | T695-F751 VanDerWaalsContact CA-O 3.27Å; T695-F751 WeakPolarHBondContact CA-O 3.47Å; I696-F751 HydrophobicContact CB-CB 4.29Å; I696-F751 PolarHBondContact N-O 3.28Å; I696-F751 WeakPolarHBondContact O-CB 3.48Å; I696-F751 WeakPolarHBondContact O-CD2 3.34Å; I696-F751 PolarHBondContact O-N 3.24Å; I711-F751 HydrophobicContact CB-CD1 3.77Å; I711-F751 HydrophobicContact CB-CE1 3.97Å; I711-F751 HydrophobicContact CB-CG 4.49Å; I711-F751 HydrophobicContact CG1-CD1 4.31Å; I711-F751 HydrophobicContact CG1-CE1 4.06Å; I711-F751 HydrophobicContact CG2-CD1 3.91Å; I711-F751 HydrophobicContact CG2-CE1 4.02Å; I711-F751 WeakPolarHBondContact O-CA 3.44Å; I713-F751 HydrophobicContact CD1-CD1 4.39Å; L735-F751 HydrophobicContact CD1-CD2 3.86Å; L735-F751 HydrophobicContact CD1-CE1 4.41Å; L735-F751 HydrophobicContact CD1-CE2 3.43Å; L735-F751 VanDerWaalsContact CD1-CE2 3.43Å; L735-F751 HydrophobicContact CD1-CG 4.5Å; L735-F751 HydrophobicContact CD1-CZ 3.75Å; L735-F751 HydrophobicContact CD2-CB 3.98Å; L735-F751 HydrophobicContact CD2-CD1 3.95Å; L735-F751 HydrophobicContact CD2-CD2 3.63Å; L735-F751 HydrophobicContact CD2-CE1 4.34Å; L735-F751 HydrophobicContact CD2-CE2 4.04Å; L735-F751 HydrophobicContact CD2-CG 3.57Å; L735-F751 HydrophobicContact CD2-CZ 4.38Å; L735-F751 HydrophobicContact CG-CD2 4.31Å; L735-F751 HydrophobicContact CG-CE2 4.36Å; A745-F751 HydrophobicContact CB-CE2 4.35Å; A745-F751 HydrophobicContact CB-CZ 4.16Å; F749-F751 HydrophobicContact CB-CD2 4.06Å; F749-F751 HydrophobicContact CB-CE2 3.54Å; F749-F751 HydrophobicContact CB-CZ 3.82Å; F749-F751 HydrophobicContact CD2-CE2 4.14Å; F749-F751 AromaticContact CD2-CZ 3.75Å; F749-F751 HydrophobicContact CD2-CZ 3.75Å; F749-F751 HydrophobicContact CG-CE2 4.3Å; F749-F751 HydrophobicContact CG-CZ 4.14Å; F751-I753 HydrophobicContact CB-CD1 4.04Å; F751-I753 HydrophobicContact CB-CG1 4.11Å; F751-I924 HydrophobicContact CD1-CD1 4.42Å; F751-I924 HydrophobicContact CE1-CD1 3.65Å; F751-I924 HydrophobicContact CZ-CD1 4.08Å; F751-L927 HydrophobicContact CE1-CD1 3.8Å; F751-L927 HydrophobicContact CZ-CD1 4.47Å |
| 752 | K | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 104.3 | 169.8 | -67.8 | -64.7 | -177 | -177.3 | 0 | 108.7 | L356 E359 L693 L694 T695 I710 I711 V712 I713 | L356-K752 PolarHBondContact O-NZ 3.35Å; E359-K752 WeakPolarHBondContact OE1-CE 3.35Å; E359-K752 IonicContact OE1-NZ 3.44Å; E359-K752 PolarHBondContact OE1-NZ 3.39Å; E359-K752 IonicContact OE2-NZ 2.82Å; E359-K752 PolarHBondContact OE2-NZ 3.19Å; L693-K752 HydrophobicContact CD1-CB 4.25Å; L693-K752 HydrophobicContact CD1-CD 4.43Å; L693-K752 HydrophobicContact CD2-CD 4.5Å; L694-K752 WeakPolarHBondContact O-CA 3.44Å; T695-K752 HydrophobicContact CG2-CD 4.37Å; T695-K752 PolarHBondContact OG1-NZ 2.7Å; I710-K752 HydrophobicContact CG2-CG 4.17Å; I711-K752 PolarHBondContact O-N 3.39Å; V712-K752 VanDerWaalsContact CA-O 3.31Å; V712-K752 WeakPolarHBondContact CA-O 3.27Å; V712-K752 HydrophobicContact CG2-CB 4.13Å; I713-K752 PolarHBondContact N-O 2.67Å |
| 753 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.3 | -169.7 | -57.1 | 174.3 | 0 | 0 | 0 | 110.3 | L693 L694 I696 I713 M728 L731 L732 L735 F751 P755 | L693-I753 CarbonylContact C-O 3.32Å; L693-I753 WeakPolarHBondContact CA-O 3.41Å; L694-I753 HydrophobicContact CB-CB 4.18Å; L694-I753 HydrophobicContact CD1-CB 4.42Å; L694-I753 HydrophobicContact CD1-CG2 4.39Å; L694-I753 PolarHBondContact N-O 3.32Å; L694-I753 PolarHBondContact O-N 3.36Å; I696-I753 HydrophobicContact CD1-CD1 4.21Å; I713-I753 HydrophobicContact CB-CG1 4.35Å; I713-I753 CarbonylContact O-C 3.52Å; I713-I753 VanDerWaalsContact O-CA 3.29Å; I713-I753 WeakPolarHBondContact O-CA 3.03Å; M728-I753 HydrophobicContact CE-CG2 3.74Å; M728-I753 HydrophobicContact SD-CG2 3.34Å; M728-I753 WeakPolarHBondContact SD-CG2 3.23Å; L731-I753 HydrophobicContact CD2-CD1 3.67Å; L732-I753 HydrophobicContact CD2-CD1 3.7Å; L732-I753 HydrophobicContact CD2-CG2 4.31Å; L735-I753 HydrophobicContact CD2-CD1 4.14Å; F751-I753 HydrophobicContact CB-CD1 4.04Å; F751-I753 HydrophobicContact CB-CG1 4.11Å; I753-P755 HydrophobicContact CG2-CG 4.24Å; I753-P755 WeakPolarHBondContact O-CD 3.34Å |
| 754 | I | 98.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 11.9 Ų | 11.9 | 2% | 0.021 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 93.6 | 171.9 | -54.7 | 166.1 | 0 | 0 | 0 | 107.7 | L682 V691 L693 I713 S714 S715 M756 L757 A794 | L682-I754 HydrophobicContact CD2-CD1 3.7Å; L682-I754 HydrophobicContact CD2-CG1 4.21Å; V691-I754 HydrophobicContact CG1-CG2 4Å; L693-I754 HydrophobicContact CD1-CG1 3.9Å; I713-I754 PolarHBondContact O-N 3.36Å; S714-I754 CarbonylContact C-O 3.58Å; S714-I754 WeakPolarHBondContact CA-O 3.09Å; S715-I754 PolarHBondContact N-O 3.17Å; I754-M756 PolarHBondContact O-N 3.11Å; I754-L757 HydrophobicContact CD1-CD2 4.35Å; I754-L757 HydrophobicContact CG2-CD2 3.77Å; I754-L757 HydrophobicContact CG2-CG 4.01Å; I754-A794 HydrophobicContact CD1-CB 3.6Å |
| 755 | P | 98.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 12.2 Ų | 12.2 | 2% | 0.019 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -66.5 | -23.3 | -169.2 | -22.2 | 33.9 | 0 | 0 | 0 | 114 | M658 K692 L694 S715 M728 I753 | M658-P755 HydrophobicContact CG-CB 4.12Å; M658-P755 HydrophobicContact SD-CB 4.17Å; K692-P755 WeakPolarHBondContact O-CD 3.27Å; L694-P755 HydrophobicContact CD1-CG 3.55Å; L694-P755 HydrophobicContact CG-CG 3.89Å; S715-P755 PolarHBondContact OG-O 3.29Å; M728-P755 HydrophobicContact CG-CB 4.07Å; I753-P755 HydrophobicContact CG2-CG 4.24Å; I753-P755 WeakPolarHBondContact O-CD 3.34Å |
| 756 | M | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | trans | -152.4 | 105.9 | -179.9 | -172.8 | 172.8 | -62.9 | 0 | 0 | 110.7 | Y655 M658 S715 R716 I754 V759 V762 | Y655-M756 HydrophobicContact CD2-SD 3.74Å; Y655-M756 HydrophobicContact CG-SD 4.31Å; M658-M756 HydrophobicContact CB-CE 4.36Å; M658-M756 HydrophobicContact CE-CB 4.04Å; S715-M756 WeakPolarHBondContact O-CA 3.23Å; R716-M756 HydrophobicContact CB-CB 4.42Å; R716-M756 HydrophobicContact CB-CG 4Å; R716-M756 HydrophobicContact CG-CE 4.21Å; R716-M756 HydrophobicContact CG-CG 4.04Å; I754-M756 PolarHBondContact O-N 3.11Å; M756-V759 HydrophobicContact CB-CG1 4.2Å; M756-V759 HydrophobicContact CG-CG1 3.94Å; M756-V759 WeakPolarHBondContact O-CG1 3.45Å; M756-V759 HydrophobicContact SD-CG1 4.21Å; M756-V762 HydrophobicContact CE-CG1 4.29Å; M756-V762 HydrophobicContact CE-CG2 4.35Å; M756-V762 HydrophobicContact CG-CG2 4.39Å; M756-V762 HydrophobicContact SD-CB 3.9Å; M756-V762 HydrophobicContact SD-CG1 4.02Å; M756-V762 HydrophobicContact SD-CG2 3.76Å | ||
| 757 | L | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -75.2 | -38.9 | 179.4 | -83.1 | 169.7 | 0 | 0 | 0 | 113.1 | S715 V717 I754 W780 S790 A794 | S715-L757 PolarHBondContact O-N 3.29Å; V717-L757 HydrophobicContact CB-CB 4.01Å; V717-L757 HydrophobicContact CB-CD1 3.91Å; V717-L757 HydrophobicContact CG2-CB 4.35Å; V717-L757 HydrophobicContact CG2-CD1 4.27Å; I754-L757 HydrophobicContact CD1-CD2 4.35Å; I754-L757 HydrophobicContact CG2-CD2 3.77Å; I754-L757 HydrophobicContact CG2-CG 4.01Å; L757-W780 HydrophobicContact CD1-CZ2 4.2Å; L757-S790 WeakPolarHBondContact O-CB 3.12Å; L757-S790 PolarHBondContact O-OG 3.18Å; L757-A794 HydrophobicContact CD2-CB 4.05Å |
| 758 | N | 98.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | trans | -107.8 | 64.6 | -176.4 | -165.3 | -6.5 | 0 | 0 | 0 | 112 | R716 V717 P719 D760 G761 V762 C769 S770 L776 | R716-N758 PolarHBondContact O-N 3.18Å; V717-N758 WeakPolarHBondContact O-CB 3.44Å; V717-N758 PolarHBondContact O-ND2 3.06Å; P719-N758 WeakPolarHBondContact CD-ND2 3.39Å; P719-N758 HydrophobicContact CG-CB 4.17Å; P719-N758 WeakPolarHBondContact CG-ND2 3.34Å; N758-D760 VanDerWaalsContact C-N 3.34Å; N758-D760 PolarHBondContact O-N 3.24Å; N758-G761 PolarHBondContact O-N 3.38Å; N758-G761 WeakPolarHBondContact OD1-CA 2.91Å; N758-G761 PolarHBondContact OD1-N 2.92Å; N758-V762 WeakPolarHBondContact O-CG2 3.49Å; N758-V762 PolarHBondContact O-N 3.4Å; N758-V762 VanDerWaalsContact O-N 3.13Å; N758-C769 PolarHBondContact ND2-O 2.85Å; N758-S770 PolarHBondContact ND2-N 3.38Å; N758-L776 HydrophobicContact CB-CD1 3.78Å | ||
| 759 | V | 98.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.5 | -45.3 | -179 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | Y655 S685 N689 V691 M756 G761 V762 V763 | Y655-V759 HydrophobicContact CD2-CB 4.02Å; Y655-V759 HydrophobicContact CD2-CG1 3.74Å; Y655-V759 HydrophobicContact CE2-CB 3.96Å; Y655-V759 HydrophobicContact CE2-CG1 3.5Å; Y655-V759 VanDerWaalsContact CE2-CG1 3.5Å; S685-V759 VanDerWaalsContact CB-CG2 3.44Å; N689-V759 HydrophobicContact CB-CG2 3.82Å; V691-V759 HydrophobicContact CG2-CG1 4.29Å; V691-V759 HydrophobicContact CG2-CG2 4Å; M756-V759 HydrophobicContact CB-CG1 4.2Å; M756-V759 HydrophobicContact CG-CG1 3.94Å; M756-V759 WeakPolarHBondContact O-CG1 3.45Å; M756-V759 HydrophobicContact SD-CG1 4.21Å; V759-G761 PolarHBondContact O-N 3.03Å; V759-V762 PolarHBondContact O-N 3.05Å; V759-V763 WeakPolarHBondContact O-CB 3.46Å; V759-V763 VanDerWaalsContact O-CG2 3.3Å; V759-V763 WeakPolarHBondContact O-CG2 3.41Å; V759-V763 PolarHBondContact O-N 3.04Å |
| 760 | D | 96.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.4 | -39.1 | -176.8 | -64.1 | -17.3 | 0 | 0 | 0 | 111.8 | S685 I686 A687 N689 N758 V762 V763 N764 L771 | S685-D760 VanDerWaalsContact CB-CG 3.43Å; S685-D760 VanDerWaalsContact CB-OD1 3.25Å; S685-D760 WeakPolarHBondContact CB-OD1 3.27Å; S685-D760 WeakPolarHBondContact CB-OD2 3.06Å; S685-D760 PolarHBondContact OG-OD1 3.49Å; S685-D760 PolarHBondContact OG-OD2 2.87Å; I686-D760 PolarHBondContact N-OD2 2.86Å; A687-D760 WeakPolarHBondContact CB-OD1 3.11Å; A687-D760 PolarHBondContact N-OD2 3.37Å; N689-D760 PolarHBondContact ND2-OD1 2.79Å; N758-D760 VanDerWaalsContact C-N 3.34Å; N758-D760 PolarHBondContact O-N 3.24Å; D760-V762 VanDerWaalsContact C-N 3.29Å; D760-V762 PolarHBondContact O-N 3.27Å; D760-V763 PolarHBondContact O-N 3.39Å; D760-N764 WeakPolarHBondContact O-CB 3.36Å; D760-N764 PolarHBondContact O-N 3.29Å; D760-N764 PolarHBondContact O-ND2 3.37Å; D760-L771 HydrophobicContact CB-CD1 3.62Å; D760-L771 HydrophobicContact CB-CG 3.67Å |
| 761 | G | 96 | Very high | 95 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63 | -37.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | P719 N758 V759 G765 N766 | P719-G761 VanDerWaalsContact CB-C 3.48Å; P719-G761 VanDerWaalsContact CG-CA 3.47Å; N758-G761 PolarHBondContact O-N 3.38Å; N758-G761 WeakPolarHBondContact OD1-CA 2.91Å; N758-G761 PolarHBondContact OD1-N 2.92Å; V759-G761 PolarHBondContact O-N 3.03Å; G761-G765 PolarHBondContact O-N 3.29Å; G761-N766 WeakPolarHBondContact O-CB 3.36Å; G761-N766 PolarHBondContact O-N 2.94Å |
| 762 | V | 96.8 | Very high | 94.6 | Very high | 22 Ų | 22 | 21.1 Ų | 21.1 | 13% | 0.133 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.6 | -48.8 | 174.6 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | R716 P719 M756 N758 V759 D760 N764 G765 | R716-V762 HydrophobicContact CG-CG2 3.85Å; P719-V762 HydrophobicContact CB-CG2 3.81Å; P719-V762 HydrophobicContact CG-CG2 4.4Å; M756-V762 HydrophobicContact CE-CG1 4.29Å; M756-V762 HydrophobicContact CE-CG2 4.35Å; M756-V762 HydrophobicContact CG-CG2 4.39Å; M756-V762 HydrophobicContact SD-CB 3.9Å; M756-V762 HydrophobicContact SD-CG1 4.02Å; M756-V762 HydrophobicContact SD-CG2 3.76Å; N758-V762 WeakPolarHBondContact O-CG2 3.49Å; N758-V762 PolarHBondContact O-N 3.4Å; N758-V762 VanDerWaalsContact O-N 3.13Å; V759-V762 PolarHBondContact O-N 3.05Å; D760-V762 VanDerWaalsContact C-N 3.29Å; D760-V762 PolarHBondContact O-N 3.27Å; V762-N764 VanDerWaalsContact C-N 3.3Å; V762-N764 PolarHBondContact O-N 3.34Å; V762-G765 PolarHBondContact O-N 2.9Å |
| 763 | V | 93.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 23.5 Ų | 23.5 | 16% | 0.164 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.9 | -38.1 | -177.9 | 168.2 | 0 | 0 | 0 | 0 | 111.9 | T455 S457 F461 Y655 V759 D760 | T455-V763 HydrophobicContact CG2-CB 4.43Å; T455-V763 HydrophobicContact CG2-CG1 3.9Å; T455-V763 HydrophobicContact CG2-CG2 3.59Å; S457-V763 VanDerWaalsContact CB-CG1 3.41Å; F461-V763 HydrophobicContact CE2-CG1 4.39Å; F461-V763 HydrophobicContact CZ-CG1 4.07Å; Y655-V763 HydrophobicContact CD1-CG2 3.83Å; Y655-V763 HydrophobicContact CG-CG2 4.03Å; V759-V763 WeakPolarHBondContact O-CB 3.46Å; V759-V763 VanDerWaalsContact O-CG2 3.3Å; V759-V763 WeakPolarHBondContact O-CG2 3.41Å; V759-V763 PolarHBondContact O-N 3.04Å; D760-V763 PolarHBondContact O-N 3.39Å |
| 764 | N | 89.8 | Confident | 93.7 | Very high | 25 Ų | 25 | 25.6 Ų | 25.6 | 13% | 0.134 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 8.8 | -176.4 | -63.9 | -77 | 0 | 0 | 0 | 114 | V458 D760 V762 N766 L771 | V458-N764 VanDerWaalsContact CB-OD1 3.27Å; V458-N764 WeakPolarHBondContact CB-OD1 3.5Å; V458-N764 WeakPolarHBondContact CG2-OD1 3.39Å; V458-N764 PolarHBondContact N-OD1 3.44Å; D760-N764 WeakPolarHBondContact O-CB 3.36Å; D760-N764 PolarHBondContact O-N 3.29Å; D760-N764 PolarHBondContact O-ND2 3.37Å; V762-N764 VanDerWaalsContact C-N 3.3Å; V762-N764 PolarHBondContact O-N 3.34Å; N764-N766 VanDerWaalsContact C-N 3.32Å; N764-N766 PolarHBondContact O-N 2.91Å; N764-L771 HydrophobicContact CB-CD2 4.25Å |
| 765 | G | 88.9 | Confident | 93.4 | Very high | 66 Ų | 66 | 26.4 Ų | 26.4 | 68% | 0.68 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72 | 20.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G761 V762 | G761-G765 PolarHBondContact O-N 3.29Å; V762-G765 PolarHBondContact O-N 2.9Å |
| 766 | N | 90.1 | Very high | 93.2 | Very high | 57 Ų | 57 | 26.4 Ų | 26.4 | 31% | 0.305 | 16% | 0.164 | S | C | . | . | trans | -64.8 | 156.8 | 170.2 | -70.6 | -6.4 | 0 | 0 | 0 | 109.7 | P719 G761 N764 C769 S770 | P719-N766 WeakPolarHBondContact CB-O 3.47Å; P719-N766 HydrophobicContact CG-CB 4.28Å; G761-N766 WeakPolarHBondContact O-CB 3.36Å; G761-N766 PolarHBondContact O-N 2.94Å; N764-N766 VanDerWaalsContact C-N 3.32Å; N764-N766 PolarHBondContact O-N 2.91Å; N766-C769 WeakPolarHBondContact CB-O 3.5Å; N766-C769 PolarHBondContact ND2-O 3.04Å; N766-S770 PolarHBondContact ND2-O 3.49Å | ||
| 767 | H | 88.5 | Confident | 93.1 | Very high | 83 Ų | 83 | 26.6 Ų | 26.6 | 38% | 0.384 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -96.3 | -40.6 | 171.6 | 179.2 | -75.9 | 0 | 0 | 0 | 112.3 | G720 | G720-H767 PolarHBondContact N-O 3.41Š|
| 768 | R | 89 | Confident | 92.8 | Very high | 72 Ų | 72 | 28.4 Ų | 28.4 | 27% | 0.272 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -121.6 | -54.2 | -169.5 | -175.3 | 70.4 | -177.5 | 169.6 | 14.5 | 113.2 | H718 P719 E721 D775 | H718-R768 PolarHBondContact CD2-NH1 3.39Å; H718-R768 VanDerWaalsContact CD2-NH1 3.3Å; H718-R768 PolarHBondContact CE1-NH1 3.07Å; H718-R768 PolarHBondContact CE1-NH2 2.93Å; H718-R768 PolarHBondContact ND1-NH1 3.33Å; H718-R768 PolarHBondContact NE2-NH1 3.04Å; H718-R768 VanDerWaalsContact NE2-NH1 3.12Å; H718-R768 PolarHBondContact NE2-NH2 3.35Å; P719-R768 WeakPolarHBondContact CD-O 3.37Å; E721-R768 IonicContact OE1-NH1 3.42Å; R768-D775 HydrophobicContact CG-CB 4.49Å; R768-D775 IonicContact CZ-OD1 3.39Å; R768-D775 IonicContact CZ-OD2 2.77Å; R768-D775 VanDerWaalsContact NE-CG 3.3Å; R768-D775 IonicContact NE-OD1 3.92Å; R768-D775 IonicContact NE-OD2 3.69Å; R768-D775 PolarHBondContact NE-OD2 2.93Å; R768-D775 VanDerWaalsContact NH2-CG 3.34Å; R768-D775 IonicContact NH2-OD1 2.94Å; R768-D775 PolarHBondContact NH2-OD1 3.46Å; R768-D775 IonicContact NH2-OD2 3.66Å; R768-D775 PolarHBondContact NH2-OD2 2.93Å |
| 769 | C | 92.2 | Very high | 92.6 | Very high | 37 Ų | 37 | 30.1 Ų | 30.1 | 25% | 0.25 | 18% | 0.18 | C | C | . | . | trans | -90.5 | 161.5 | -166.9 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | N758 N766 G773 E774 | N758-C769 PolarHBondContact ND2-O 2.85Å; N766-C769 WeakPolarHBondContact CB-O 3.5Å; N766-C769 PolarHBondContact ND2-O 3.04Å; C769-G773 PolarHBondContact SG-O 2.93Å; C769-G773 VanDerWaalsContact SG-O 3.33Å; C769-E774 WeakPolarHBondContact CA-O 3.49Å; C769-E774 VanDerWaalsContact CB-O 3.27Å; C769-E774 WeakPolarHBondContact CB-O 3.26Å | ||
| 770 | S | 92.3 | Very high | 92.5 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | trans | -76.8 | -177.2 | 164.8 | 71.7 | 0 | 0 | 0 | 0 | 111.3 | N758 N766 A772 G773 E774 | N758-S770 PolarHBondContact ND2-N 3.38Å; N766-S770 PolarHBondContact ND2-O 3.49Å; S770-A772 PolarHBondContact O-N 3.05Å; S770-A772 PolarHBondContact OG-N 2.99Å; S770-G773 PolarHBondContact O-N 3.3Å; S770-E774 PolarHBondContact N-O 3.46Å; S770-E774 VanDerWaalsContact N-O 3.1Å | ||
| 771 | L | 91.6 | Very high | 92.2 | Very high | 23 Ų | 23 | 31.9 Ų | 31.9 | 12% | 0.12 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.1 | 172.5 | -71.1 | 178.9 | 0 | 0 | 0 | 113.8 | V458 I686 A687 D760 N764 G773 | V458-L771 HydrophobicContact CG2-CD1 4.07Å; V458-L771 HydrophobicContact CG2-CD2 3.73Å; I686-L771 HydrophobicContact CB-CB 4.49Å; I686-L771 HydrophobicContact CD1-CB 4.2Å; I686-L771 HydrophobicContact CG2-CB 4.45Å; A687-L771 HydrophobicContact CB-CD1 3.87Å; D760-L771 HydrophobicContact CB-CD1 3.62Å; D760-L771 HydrophobicContact CB-CG 3.67Å; N764-L771 HydrophobicContact CB-CD2 4.25Å; L771-G773 PolarHBondContact O-N 2.78Å |
| 772 | A | 91.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -5.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R294 I686 S770 E774 L787 F788 | R294-A772 PolarHBondContact NH2-O 3.25Å; I686-A772 HydrophobicContact CD1-CB 3.92Å; S770-A772 PolarHBondContact O-N 3.05Å; S770-A772 PolarHBondContact OG-N 2.99Å; A772-E774 VanDerWaalsContact C-N 3.26Å; A772-E774 PolarHBondContact O-N 3.48Å; A772-L787 HydrophobicContact CB-CB 4.45Å; A772-F788 HydrophobicContact CB-CD1 4.45Å; A772-F788 HydrophobicContact CB-CE1 3.87Å |
| 773 | G | 88.8 | Confident | 91.8 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 51% | 0.505 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 79.1 | 2.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C769 S770 L771 | C769-G773 PolarHBondContact SG-O 2.93Å; C769-G773 VanDerWaalsContact SG-O 3.33Å; S770-G773 PolarHBondContact O-N 3.3Å; L771-G773 PolarHBondContact O-N 2.78Å |
| 774 | E | 89.3 | Confident | 91.7 | Very high | 44 Ų | 44 | 40.8 Ų | 40.8 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -109.5 | 153.6 | -176.4 | -56.6 | -63.2 | 157.3 | 0 | 0 | 112.6 | R294 C769 S770 A772 L776 F788 | R294-E774 IonicContact CZ-OE1 3.03Å; R294-E774 IonicContact NH1-OE1 2.7Å; R294-E774 PolarHBondContact NH1-OE1 3.49Å; R294-E774 IonicContact NH2-OE1 3.47Å; R294-E774 PolarHBondContact NH2-OE1 3.33Å; C769-E774 WeakPolarHBondContact CA-O 3.49Å; C769-E774 VanDerWaalsContact CB-O 3.27Å; C769-E774 WeakPolarHBondContact CB-O 3.26Å; S770-E774 PolarHBondContact N-O 3.46Å; S770-E774 VanDerWaalsContact N-O 3.1Å; A772-E774 VanDerWaalsContact C-N 3.26Å; A772-E774 PolarHBondContact O-N 3.48Å; E774-L776 PolarHBondContact O-N 3.47Å; E774-F788 HydrophobicContact CB-CE1 3.81Å; E774-F788 HydrophobicContact CB-CZ 4.09Å; E774-F788 HydrophobicContact CG-CE1 4.07Å; E774-F788 HydrophobicContact CG-CZ 3.99Å |
| 775 | D | 93 | Very high | 91.9 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 11% | 0.112 | 25% | 0.245 | C | C | . | . | trans | -74.7 | 107.4 | 171.2 | -178.4 | -3.5 | 0 | 0 | 0 | 110.4 | H718 R768 N777 R778 | H718-D775 IonicContact CD2-OD1 3.58Å; H718-D775 IonicContact NE2-OD1 3.64Å; H718-D775 PolarHBondContact NE2-OD1 2.61Å; R768-D775 HydrophobicContact CG-CB 4.49Å; R768-D775 IonicContact CZ-OD1 3.39Å; R768-D775 IonicContact CZ-OD2 2.77Å; R768-D775 VanDerWaalsContact NE-CG 3.3Å; R768-D775 IonicContact NE-OD1 3.92Å; R768-D775 IonicContact NE-OD2 3.69Å; R768-D775 PolarHBondContact NE-OD2 2.93Å; R768-D775 VanDerWaalsContact NH2-CG 3.34Å; R768-D775 IonicContact NH2-OD1 2.94Å; R768-D775 PolarHBondContact NH2-OD1 3.46Å; R768-D775 IonicContact NH2-OD2 3.66Å; R768-D775 PolarHBondContact NH2-OD2 2.93Å; D775-N777 PolarHBondContact O-N 3.43Å; D775-N777 VanDerWaalsContact O-N 3.15Å; D775-N777 PolarHBondContact OD1-N 2.61Å; D775-R778 HydrophobicContact CB-CB 4.42Å; D775-R778 HydrophobicContact CB-CG 4Å; D775-R778 WeakPolarHBondContact O-CB 3.26Å; D775-R778 PolarHBondContact O-N 3.4Å; D775-R778 IonicContact OD2-CZ 3.23Å; D775-R778 IonicContact OD2-NH2 3.94Å | ||
| 776 | L | 95.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -56.5 | -31.2 | -179.3 | -69.8 | -173.4 | 0 | 0 | 0 | 113 | V717 N758 E774 R778 Q779 F788 V791 | V717-L776 HydrophobicContact CG2-CB 3.54Å; V717-L776 HydrophobicContact CG2-CD1 4.42Å; N758-L776 HydrophobicContact CB-CD1 3.78Å; E774-L776 PolarHBondContact O-N 3.47Å; L776-R778 PolarHBondContact O-N 3.5Å; L776-R778 VanDerWaalsContact O-N 3.15Å; L776-Q779 PolarHBondContact O-N 2.92Å; L776-F788 HydrophobicContact CD2-CB 4.1Å; L776-F788 HydrophobicContact CD2-CD1 3.52Å; L776-F788 HydrophobicContact CD2-CE1 4.41Å; L776-F788 HydrophobicContact CD2-CG 4.16Å; L776-V791 HydrophobicContact CB-CG2 3.87Å; L776-V791 HydrophobicContact CD1-CG2 4.43Å; L776-V791 HydrophobicContact CD2-CG2 4.44Å; L776-V791 HydrophobicContact CG-CG2 4.48Å |
| 777 | N | 95.9 | Very high | 92.3 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -81.9 | 18.3 | 177 | -160.8 | 18.3 | 0 | 0 | 0 | 112.8 | V717 H718 D775 G876 S877 A878 | V717-N777 HydrophobicContact CG1-CB 4.21Å; V717-N777 HydrophobicContact CG2-CB 4.18Å; H718-N777 VanDerWaalsContact NE2-CB 3.34Å; H718-N777 WeakPolarHBondContact NE2-CB 3.41Å; D775-N777 PolarHBondContact O-N 3.43Å; D775-N777 VanDerWaalsContact O-N 3.15Å; D775-N777 PolarHBondContact OD1-N 2.61Å; N777-G876 CarbonylContact C-O 3.27Å; N777-G876 CarbonylContact O-C 3.52Å; N777-G876 VanDerWaalsContact O-O 3.13Å; N777-S877 VanDerWaalsContact O-CA 3.25Å; N777-S877 WeakPolarHBondContact O-CA 3.36Å; N777-S877 VanDerWaalsContact OD1-CA 3.28Å; N777-S877 WeakPolarHBondContact OD1-CA 3.38Å; N777-S877 WeakPolarHBondContact OD1-CB 3.49Å; N777-A878 PolarHBondContact OD1-N 3.09Å |
| 778 | R | 93.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 37.7 Ų | 37.7 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -117.6 | -1.3 | 165.4 | -61.6 | -63.3 | 175.8 | -82.6 | -18.1 | 112.9 | D301 D775 L776 G876 | D301-R778 WeakPolarHBondContact OD2-CD 3.33Å; D301-R778 IonicContact OD2-NE 3.06Å; D301-R778 PolarHBondContact OD2-NE 3.2Å; D775-R778 HydrophobicContact CB-CB 4.42Å; D775-R778 HydrophobicContact CB-CG 4Å; D775-R778 WeakPolarHBondContact O-CB 3.26Å; D775-R778 PolarHBondContact O-N 3.4Å; D775-R778 IonicContact OD2-CZ 3.23Å; D775-R778 IonicContact OD2-NH2 3.94Å; L776-R778 PolarHBondContact O-N 3.5Å; L776-R778 VanDerWaalsContact O-N 3.15Å; R778-G876 CarbonylContact C-O 3.59Å; R778-G876 WeakPolarHBondContact CA-O 3.37Å; R778-G876 PolarHBondContact N-O 2.83Å; R778-G876 WeakPolarHBondContact O-CA 3.39Å |
| 779 | Q | 94.2 | Very high | 93 | Very high | 40 Ų | 40 | 35 Ų | 35 | 19% | 0.187 | 19% | 0.19 | C | C | . | . | trans | -105.9 | 12 | -173 | -52.5 | -54.7 | -38.8 | 0 | 0 | 113 | L776 V781 P783 F788 G876 | L776-Q779 PolarHBondContact O-N 2.92Å; Q779-V781 PolarHBondContact O-N 3.21Å; Q779-P783 VanDerWaalsContact O-CA 3.24Å; Q779-P783 WeakPolarHBondContact O-CA 2.86Å; Q779-P783 WeakPolarHBondContact O-CB 3.44Å; Q779-P783 VanDerWaalsContact O-CD 3.25Å; Q779-P783 WeakPolarHBondContact O-CD 3.43Å; Q779-P783 VanDerWaalsContact O-N 3.14Å; Q779-F788 HydrophobicContact CB-CD2 3.75Å; Q779-F788 HydrophobicContact CB-CE2 4.05Å; Q779-F788 HydrophobicContact CB-CG 4.05Å; Q779-F788 HydrophobicContact CG-CD1 4.12Å; Q779-F788 HydrophobicContact CG-CD2 3.83Å; Q779-F788 HydrophobicContact CG-CE1 3.99Å; Q779-F788 HydrophobicContact CG-CE2 3.68Å; Q779-F788 HydrophobicContact CG-CG 4.06Å; Q779-F788 HydrophobicContact CG-CZ 3.77Å; Q779-G876 PolarHBondContact N-O 3.29Å | ||
| 780 | W | 94.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -76.9 | -17.9 | -173.2 | -77.7 | 74.8 | 0 | 0 | 0 | 114.9 | L757 V791 A794 K795 I798 Y811 G876 A878 A881 V882 | L757-W780 HydrophobicContact CD1-CZ2 4.2Å; W780-V791 HydrophobicContact CB-CG1 4.42Å; W780-V791 HydrophobicContact CD2-CG1 3.59Å; W780-V791 HydrophobicContact CE3-CG1 4.26Å; W780-V791 HydrophobicContact CG-CG1 3.66Å; W780-V791 HydrophobicContact CZ2-CG1 4.22Å; W780-V791 HydrophobicContact CZ2-CG2 4.37Å; W780-A794 HydrophobicContact CH2-CB 4.01Å; W780-K795 HydrophobicContact CE3-CB 4.09Å; W780-K795 HydrophobicContact CZ3-CB 4.11Å; W780-K795 WeakPolarHBondContact O-CD 3.44Å; W780-K795 WeakPolarHBondContact O-CE 3.38Å; W780-K795 PolarHBondContact O-NZ 3.15Å; W780-I798 HydrophobicContact CZ3-CD1 4.46Å; W780-Y811 VanDerWaalsContact CH2-OH 3.31Å; W780-Y811 WeakPolarHBondContact CH2-OH 3.25Å; W780-G876 WeakPolarHBondContact CB-O 3.31Å; W780-G876 PolarHBondContact N-O 3.27Å; W780-A878 VanDerWaalsContact CD2-CA 3.43Å; W780-A878 HydrophobicContact CD2-CB 3.52Å; W780-A878 HydrophobicContact CE3-CB 3.94Å; W780-A878 HydrophobicContact CG-CB 4.02Å; W780-A878 HydrophobicContact CH2-CB 3.89Å; W780-A878 HydrophobicContact CZ2-CB 3.46Å; W780-A878 VanDerWaalsContact CZ2-CB 3.46Å; W780-A878 HydrophobicContact CZ3-CB 4.11Å; W780-A881 HydrophobicContact CB-CB 3.61Å; W780-V882 HydrophobicContact CE3-CG2 4.24Å; W780-V882 HydrophobicContact CZ3-CG2 3.96Å |
| 781 | V | 91.7 | Very high | 93.5 | Very high | 43 Ų | 43 | 33.2 Ų | 33.2 | 26% | 0.261 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -70.1 | -55.4 | -179.9 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | Q779 K795 E875 | Q779-V781 PolarHBondContact O-N 3.21Å; V781-K795 PolarHBondContact O-NZ 2.97Å; V781-E875 HydrophobicContact CG2-CG 4.12Å; V781-E875 WeakPolarHBondContact CG2-O 3.22Å |
| 782 | H | 89.8 | Confident | 93.8 | Very high | 136 Ų | 136 | 32.9 Ų | 32.9 | 63% | 0.63 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -134 | 71.2 | 177.6 | -59.3 | -47.1 | 0 | 0 | 0 | 111 | S341 E784 | S341-H782 PolarHBondContact OG-CE1 3.25Å; S341-H782 PolarHBondContact OG-NE2 3.01Å; H782-E784 PolarHBondContact O-N 3.27Å |
| 783 | P | 92.8 | Very high | 94.1 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 10% | 0.104 | 18% | 0.176 | C | C | . | . | trans | -65.5 | 130.7 | 179.5 | 23.8 | -30 | 0 | 0 | 0 | 110.5 | Q779 F788 V791 Y792 K795 | Q779-P783 VanDerWaalsContact O-CA 3.24Å; Q779-P783 WeakPolarHBondContact O-CA 2.86Å; Q779-P783 WeakPolarHBondContact O-CB 3.44Å; Q779-P783 VanDerWaalsContact O-CD 3.25Å; Q779-P783 WeakPolarHBondContact O-CD 3.43Å; Q779-P783 VanDerWaalsContact O-N 3.14Å; P783-F788 HydrophobicContact CB-CB 4.34Å; P783-V791 HydrophobicContact CB-CG1 4.05Å; P783-V791 HydrophobicContact CG-CG1 4.31Å; P783-Y792 HydrophobicContact CB-CD2 4.46Å; P783-Y792 HydrophobicContact CG-CD2 4.15Å; P783-Y792 VanDerWaalsContact O-CD2 3.25Å; P783-Y792 WeakPolarHBondContact O-CD2 3.3Å; P783-K795 HydrophobicContact CG-CD 4.26Å | ||
| 784 | E | 92.3 | Very high | 94.5 | Very high | 84 Ų | 84 | 31 Ų | 31 | 39% | 0.393 | 15% | 0.153 | S | C | . | . | trans | -80 | 122.9 | 169.7 | -169.4 | -177.5 | 159.4 | 0 | 0 | 110 | H782 S786 L787 F788 | H782-E784 PolarHBondContact O-N 3.27Å; E784-S786 VanDerWaalsContact C-N 3.3Å; E784-S786 VanDerWaalsContact CD-OG 3.29Å; E784-S786 WeakPolarHBondContact CG-OG 3.49Å; E784-S786 PolarHBondContact O-N 3.36Å; E784-S786 PolarHBondContact OE1-OG 3.08Å; E784-L787 HydrophobicContact CB-CB 4.47Å; E784-L787 PolarHBondContact O-N 3.47Å; E784-L787 WeakPolarHBondContact OE2-CD1 3.37Å; E784-F788 HydrophobicContact CB-CD2 4.31Å; E784-F788 WeakPolarHBondContact O-CA 3.24Å; E784-F788 PolarHBondContact O-N 3.47Å | ||
| 785 | K | 93.4 | Very high | 94.9 | Very high | 103 Ų | 103 | 29.8 Ų | 29.8 | 45% | 0.448 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -40.6 | -176.5 | -179.6 | -178.1 | 174 | -178.1 | 0 | 113.5 | E349 P789 Y792 | E349-K785 WeakPolarHBondContact OE1-CD 3.44Å; E349-K785 WeakPolarHBondContact OE1-CE 3.44Å; E349-K785 IonicContact OE1-NZ 3.41Å; E349-K785 PolarHBondContact OE1-NZ 2.9Å; K785-P789 WeakPolarHBondContact O-CA 3.42Å; K785-P789 WeakPolarHBondContact O-CB 3.46Å; K785-P789 WeakPolarHBondContact O-CD 3.24Å; K785-Y792 HydrophobicContact CB-CD1 3.78Å; K785-Y792 HydrophobicContact CB-CD2 4.05Å; K785-Y792 HydrophobicContact CB-CE1 3.84Å; K785-Y792 HydrophobicContact CB-CE2 4.13Å; K785-Y792 HydrophobicContact CB-CG 3.87Å; K785-Y792 HydrophobicContact CD-CD1 4.21Å; K785-Y792 HydrophobicContact CD-CE1 3.79Å; K785-Y792 HydrophobicContact CG-CD1 3.73Å; K785-Y792 HydrophobicContact CG-CE1 3.81Å; K785-Y792 HydrophobicContact CG-CG 4.29Å |
| 786 | S | 93.6 | Very high | 95.1 | Very high | 39 Ų | 39 | 29 Ų | 29 | 27% | 0.273 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -31.6 | -176.8 | 63.6 | 0 | 0 | 0 | 0 | 113.1 | P291 V292 E784 | P291-S786 WeakPolarHBondContact CG-O 3.47Å; V292-S786 WeakPolarHBondContact CG2-OG 3.39Å; E784-S786 VanDerWaalsContact C-N 3.3Å; E784-S786 VanDerWaalsContact CD-OG 3.29Å; E784-S786 WeakPolarHBondContact CG-OG 3.49Å; E784-S786 PolarHBondContact O-N 3.36Å; E784-S786 PolarHBondContact OE1-OG 3.08Å |
| 787 | L | 94.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 6% | 0.063 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -31.8 | -176 | -63.7 | -178.2 | 0 | 0 | 0 | 112.9 | L290 I686 A772 E784 | L290-L787 HydrophobicContact CB-CD2 4.33Å; L290-L787 HydrophobicContact CD1-CD2 4.24Å; I686-L787 WeakPolarHBondContact CD1-O 3.33Å; A772-L787 HydrophobicContact CB-CB 4.45Å; E784-L787 HydrophobicContact CB-CB 4.47Å; E784-L787 PolarHBondContact O-N 3.47Å; E784-L787 WeakPolarHBondContact OE2-CD1 3.37Å |
| 788 | F | 95.8 | Very high | 95.2 | Very high | 12 Ų | 12 | 28.8 Ų | 28.8 | 5% | 0.053 | 14% | 0.141 | C | C | . | . | trans | -129.1 | 50.6 | -174.6 | -43.9 | -52.9 | 0 | 0 | 0 | 112 | A772 E774 L776 Q779 P783 E784 S790 V791 Y792 | A772-F788 HydrophobicContact CB-CD1 4.45Å; A772-F788 HydrophobicContact CB-CE1 3.87Å; E774-F788 HydrophobicContact CB-CE1 3.81Å; E774-F788 HydrophobicContact CB-CZ 4.09Å; E774-F788 HydrophobicContact CG-CE1 4.07Å; E774-F788 HydrophobicContact CG-CZ 3.99Å; L776-F788 HydrophobicContact CD2-CB 4.1Å; L776-F788 HydrophobicContact CD2-CD1 3.52Å; L776-F788 HydrophobicContact CD2-CE1 4.41Å; L776-F788 HydrophobicContact CD2-CG 4.16Å; Q779-F788 HydrophobicContact CB-CD2 3.75Å; Q779-F788 HydrophobicContact CB-CE2 4.05Å; Q779-F788 HydrophobicContact CB-CG 4.05Å; Q779-F788 HydrophobicContact CG-CD1 4.12Å; Q779-F788 HydrophobicContact CG-CD2 3.83Å; Q779-F788 HydrophobicContact CG-CE1 3.99Å; Q779-F788 HydrophobicContact CG-CE2 3.68Å; Q779-F788 HydrophobicContact CG-CG 4.06Å; Q779-F788 HydrophobicContact CG-CZ 3.77Å; P783-F788 HydrophobicContact CB-CB 4.34Å; E784-F788 HydrophobicContact CB-CD2 4.31Å; E784-F788 WeakPolarHBondContact O-CA 3.24Å; E784-F788 PolarHBondContact O-N 3.47Å; F788-S790 VanDerWaalsContact C-N 3.3Å; F788-S790 PolarHBondContact O-N 3.28Å; F788-V791 PolarHBondContact O-N 3.46Å; F788-Y792 WeakPolarHBondContact O-CB 3.41Å; F788-Y792 PolarHBondContact O-N 3.17Å | ||
| 789 | P | 96.9 | Very high | 95.3 | Very high | 14 Ų | 14 | 27 Ų | 27 | 9% | 0.091 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.7 | -39.8 | -171 | 22.3 | -33.8 | 0 | 0 | 0 | 113 | R684 K785 Y792 H793 | R684-P789 WeakPolarHBondContact O-CB 3.38Å; R684-P789 WeakPolarHBondContact O-CG 3.2Å; K785-P789 WeakPolarHBondContact O-CA 3.42Å; K785-P789 WeakPolarHBondContact O-CB 3.46Å; K785-P789 WeakPolarHBondContact O-CD 3.24Å; P789-Y792 PolarHBondContact O-N 3.22Å; P789-H793 WeakPolarHBondContact O-CB 3.37Å; P789-H793 PolarHBondContact O-CD2 2.82Å; P789-H793 PolarHBondContact O-N 3.31Å |
| 790 | S | 98.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 26 Ų | 26 | 6% | 0.056 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | -178.6 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | L757 F788 A794 | L757-S790 WeakPolarHBondContact O-CB 3.12Å; L757-S790 PolarHBondContact O-OG 3.18Å; F788-S790 VanDerWaalsContact C-N 3.3Å; F788-S790 PolarHBondContact O-N 3.28Å; S790-A794 WeakPolarHBondContact O-CB 3.28Å; S790-A794 PolarHBondContact O-N 3.08Å |
| 791 | V | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.2 | -40.4 | 176.2 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L776 W780 P783 F788 A794 K795 | L776-V791 HydrophobicContact CB-CG2 3.87Å; L776-V791 HydrophobicContact CD1-CG2 4.43Å; L776-V791 HydrophobicContact CD2-CG2 4.44Å; L776-V791 HydrophobicContact CG-CG2 4.48Å; W780-V791 HydrophobicContact CB-CG1 4.42Å; W780-V791 HydrophobicContact CD2-CG1 3.59Å; W780-V791 HydrophobicContact CE3-CG1 4.26Å; W780-V791 HydrophobicContact CG-CG1 3.66Å; W780-V791 HydrophobicContact CZ2-CG1 4.22Å; W780-V791 HydrophobicContact CZ2-CG2 4.37Å; P783-V791 HydrophobicContact CB-CG1 4.05Å; P783-V791 HydrophobicContact CG-CG1 4.31Å; F788-V791 PolarHBondContact O-N 3.46Å; V791-A794 PolarHBondContact O-N 2.79Å; V791-K795 VanDerWaalsContact O-CB 3.31Å; V791-K795 WeakPolarHBondContact O-CB 3.46Å; V791-K795 PolarHBondContact O-N 2.97Å |
| 792 | Y | 96.6 | Very high | 95.5 | Very high | 16 Ų | 16 | 27.2 Ų | 27.2 | 6% | 0.063 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.7 | -53.5 | 176.1 | 178.6 | -95.7 | 0 | 0 | 0 | 111.8 | F346 E349 P783 K785 F788 P789 N796 | F346-Y792 AromaticContact CD2-CE2 3.91Å; F346-Y792 HydrophobicContact CD2-CE2 3.91Å; F346-Y792 AromaticContact CD2-CZ 3.87Å; F346-Y792 WeakPolarHBondContact CD2-OH 3.34Å; F346-Y792 AromaticContact CE2-CE2 3.77Å; F346-Y792 HydrophobicContact CE2-CE2 3.77Å; F346-Y792 WeakPolarHBondContact CG-OH 3.44Å; E349-Y792 VanDerWaalsContact OE2-CE1 3.24Å; E349-Y792 WeakPolarHBondContact OE2-CE1 3.29Å; P783-Y792 HydrophobicContact CB-CD2 4.46Å; P783-Y792 HydrophobicContact CG-CD2 4.15Å; P783-Y792 VanDerWaalsContact O-CD2 3.25Å; P783-Y792 WeakPolarHBondContact O-CD2 3.3Å; K785-Y792 HydrophobicContact CB-CD1 3.78Å; K785-Y792 HydrophobicContact CB-CD2 4.05Å; K785-Y792 HydrophobicContact CB-CE1 3.84Å; K785-Y792 HydrophobicContact CB-CE2 4.13Å; K785-Y792 HydrophobicContact CB-CG 3.87Å; K785-Y792 HydrophobicContact CD-CD1 4.21Å; K785-Y792 HydrophobicContact CD-CE1 3.79Å; K785-Y792 HydrophobicContact CG-CD1 3.73Å; K785-Y792 HydrophobicContact CG-CE1 3.81Å; K785-Y792 HydrophobicContact CG-CG 4.29Å; F788-Y792 WeakPolarHBondContact O-CB 3.41Å; F788-Y792 PolarHBondContact O-N 3.17Å; P789-Y792 PolarHBondContact O-N 3.22Å; Y792-N796 WeakPolarHBondContact CE1-ND2 3.24Å; Y792-N796 PolarHBondContact O-N 3.36Å; Y792-N796 PolarHBondContact O-ND2 3.48Å |
| 793 | H | 97.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 27 Ų | 27 | 5% | 0.051 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -72.7 | -32.8 | -179 | -71.3 | -68.7 | 0 | 0 | 0 | 112.6 | E349 Y353 L682 C683 P789 L797 | E349-H793 IonicContact OE1-CE1 3.79Å; E349-H793 PolarHBondContact OE1-CE1 3.1Å; E349-H793 IonicContact OE2-CE1 3.96Å; E349-H793 PolarHBondContact OE2-CE1 2.94Å; E349-H793 IonicContact OE2-ND1 2.91Å; Y353-H793 HydrophobicContact CE1-CB 4.46Å; Y353-H793 AromaticContact CZ-ND1 3.8Å; Y353-H793 PolarHBondContact OH-ND1 3.42Å; L682-H793 HydrophobicContact CD1-CB 3.89Å; L682-H793 HydrophobicContact CD2-CB 4.23Å; L682-H793 HydrophobicContact CG-CB 3.76Å; C683-H793 HydrophobicContact CB-CB 4.19Å; C683-H793 WeakPolarHBondContact CB-CD2 3.39Å; P789-H793 WeakPolarHBondContact O-CB 3.37Å; P789-H793 PolarHBondContact O-CD2 2.82Å; P789-H793 PolarHBondContact O-N 3.31Å; H793-L797 WeakPolarHBondContact O-CB 3.29Å; H793-L797 PolarHBondContact O-N 2.88Å |
| 794 | A | 98.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L682 I754 L757 W780 S790 V791 L797 I798 | L682-A794 HydrophobicContact CD2-CB 4.27Å; I754-A794 HydrophobicContact CD1-CB 3.6Å; L757-A794 HydrophobicContact CD2-CB 4.05Å; W780-A794 HydrophobicContact CH2-CB 4.01Å; S790-A794 WeakPolarHBondContact O-CB 3.28Å; S790-A794 PolarHBondContact O-N 3.08Å; V791-A794 PolarHBondContact O-N 2.79Å; A794-L797 PolarHBondContact O-N 3.26Å; A794-I798 WeakPolarHBondContact O-CG1 3.2Å; A794-I798 PolarHBondContact O-N 3.28Å |
| 795 | K | 96.6 | Very high | 95.7 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 8% | 0.078 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -48.9 | 175.4 | 177.3 | 169.3 | 179.3 | 163.3 | 0 | 111.6 | M343 W780 V781 P783 V791 L797 I798 G799 D885 | M343-K795 HydrophobicContact SD-CG 3.93Å; W780-K795 HydrophobicContact CE3-CB 4.09Å; W780-K795 HydrophobicContact CZ3-CB 4.11Å; W780-K795 WeakPolarHBondContact O-CD 3.44Å; W780-K795 WeakPolarHBondContact O-CE 3.38Å; W780-K795 PolarHBondContact O-NZ 3.15Å; V781-K795 PolarHBondContact O-NZ 2.97Å; P783-K795 HydrophobicContact CG-CD 4.26Å; V791-K795 VanDerWaalsContact O-CB 3.31Å; V791-K795 WeakPolarHBondContact O-CB 3.46Å; V791-K795 PolarHBondContact O-N 2.97Å; K795-L797 VanDerWaalsContact C-N 3.34Å; K795-L797 PolarHBondContact O-N 2.91Å; K795-I798 PolarHBondContact O-N 3.27Å; K795-G799 PolarHBondContact O-N 3.41Å; K795-D885 WeakPolarHBondContact CE-OD2 3.37Å; K795-D885 IonicContact NZ-OD2 3.83Å; K795-D885 PolarHBondContact NZ-OD2 3.38Å |
| 796 | N | 96.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.5 | -30.6 | 179.9 | -77.7 | -64.8 | 0 | 0 | 0 | 113.2 | L345 Y353 Y792 G799 Y800 | L345-N796 HydrophobicContact CD1-CB 4.45Å; Y353-N796 HydrophobicContact CD2-CB 4.39Å; Y353-N796 HydrophobicContact CE1-CB 3.79Å; Y353-N796 HydrophobicContact CE2-CB 3.57Å; Y353-N796 WeakPolarHBondContact OH-CB 3.41Å; Y792-N796 WeakPolarHBondContact CE1-ND2 3.24Å; Y792-N796 PolarHBondContact O-N 3.36Å; Y792-N796 PolarHBondContact O-ND2 3.48Å; N796-G799 CarbonylContact O-C 3.57Å; N796-G799 PolarHBondContact O-N 3.45Å; N796-Y800 WeakPolarHBondContact O-CB 3.48Å; N796-Y800 PolarHBondContact O-N 3.23Å |
| 797 | L | 97.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -48.1 | 170.9 | 175.2 | 67.5 | 0 | 0 | 0 | 111.2 | Y353 L356 L682 L693 H793 A794 K795 G799 Y800 L801 | Y353-L797 HydrophobicContact CD1-CB 4.1Å; Y353-L797 HydrophobicContact CD1-CD1 4.41Å; Y353-L797 HydrophobicContact CE1-CB 4.44Å; L356-L797 HydrophobicContact CB-CD1 4.4Å; L682-L797 HydrophobicContact CD1-CD2 4.38Å; L693-L797 HydrophobicContact CD1-CD2 3.79Å; L693-L797 HydrophobicContact CD2-CD1 4.44Å; L693-L797 HydrophobicContact CD2-CD2 3.77Å; L693-L797 HydrophobicContact CG-CD2 4.45Å; H793-L797 WeakPolarHBondContact O-CB 3.29Å; H793-L797 PolarHBondContact O-N 2.88Å; A794-L797 PolarHBondContact O-N 3.26Å; K795-L797 VanDerWaalsContact C-N 3.34Å; K795-L797 PolarHBondContact O-N 2.91Å; L797-G799 VanDerWaalsContact C-N 3.28Å; L797-G799 PolarHBondContact O-N 2.99Å; L797-Y800 PolarHBondContact O-N 3.41Å; L797-L801 HydrophobicContact CG-CD1 4.49Å; L797-L801 WeakPolarHBondContact O-CG 3.35Å; L797-L801 PolarHBondContact O-N 3.24Å |
| 798 | I | 97.2 | Very high | 96 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 176 | -65.6 | 168.2 | 0 | 0 | 0 | 110.1 | V712 W780 A794 K795 L801 H802 P808 Y811 V882 T886 | V712-I798 HydrophobicContact CG1-CD1 4.08Å; V712-I798 HydrophobicContact CG1-CG1 4.03Å; V712-I798 HydrophobicContact CG2-CG1 4.37Å; W780-I798 HydrophobicContact CZ3-CD1 4.46Å; A794-I798 WeakPolarHBondContact O-CG1 3.2Å; A794-I798 PolarHBondContact O-N 3.28Å; K795-I798 PolarHBondContact O-N 3.27Å; I798-L801 WeakPolarHBondContact O-CB 3.48Å; I798-L801 PolarHBondContact O-N 2.83Å; I798-H802 PolarHBondContact O-N 2.95Å; I798-P808 HydrophobicContact CG2-CG 4.43Å; I798-Y811 HydrophobicContact CD1-CD2 3.64Å; I798-Y811 HydrophobicContact CD1-CE2 3.68Å; I798-Y811 HydrophobicContact CD1-CG 4.44Å; I798-V882 HydrophobicContact CD1-CG2 3.81Å; I798-V882 HydrophobicContact CG2-CG1 4.11Å; I798-T886 HydrophobicContact CG2-CG2 4.01Å |
| 799 | G | 94.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.2 | -35.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | M343 K795 N796 L797 H802 H803 | M343-G799 WeakPolarHBondContact SD-CA 3.45Å; K795-G799 PolarHBondContact O-N 3.41Å; N796-G799 CarbonylContact O-C 3.57Å; N796-G799 PolarHBondContact O-N 3.45Å; L797-G799 VanDerWaalsContact C-N 3.28Å; L797-G799 PolarHBondContact O-N 2.99Å; G799-H802 PolarHBondContact O-N 2.85Å; G799-H803 VanDerWaalsContact O-CB 3.25Å; G799-H803 WeakPolarHBondContact O-CB 3.35Å; G799-H803 PolarHBondContact O-N 3.32Å |
| 800 | Y | 95.5 | Very high | 96.2 | Very high | 17 Ų | 17 | 26.1 Ų | 26.1 | 7% | 0.067 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64 | -47 | 172 | 174.1 | -100.1 | 0 | 0 | 0 | 110.5 | L345 V350 Y353 R354 C357 N796 L797 H802 H803 I804 | L345-Y800 HydrophobicContact CD2-CD2 4.17Å; V350-Y800 HydrophobicContact CG1-CD2 4.13Å; V350-Y800 HydrophobicContact CG1-CE2 3.88Å; Y353-Y800 VanDerWaalsContact CB-CG 3.47Å; Y353-Y800 HydrophobicContact CG-CG 4.45Å; R354-Y800 WeakPolarHBondContact CA-OH 3.14Å; R354-Y800 HydrophobicContact CB-CE2 4.29Å; C357-Y800 HydrophobicContact CB-CD1 4.33Å; C357-Y800 HydrophobicContact CB-CE1 3.83Å; N796-Y800 WeakPolarHBondContact O-CB 3.48Å; N796-Y800 PolarHBondContact O-N 3.23Å; L797-Y800 PolarHBondContact O-N 3.41Å; Y800-H802 VanDerWaalsContact C-N 3.32Å; Y800-H802 PolarHBondContact O-N 3.33Å; Y800-H803 WeakPolarHBondContact O-CB 3.5Å; Y800-H803 PolarHBondContact O-N 2.94Å; Y800-H803 VanDerWaalsContact O-N 3.13Å; Y800-I804 HydrophobicContact CD1-CD1 4.43Å; Y800-I804 HydrophobicContact CD2-CG2 4.31Å; Y800-I804 HydrophobicContact CE1-CD1 3.82Å; Y800-I804 HydrophobicContact CE1-CG2 4.21Å; Y800-I804 HydrophobicContact CE2-CG2 3.78Å; Y800-I804 WeakPolarHBondContact O-CG1 3.02Å; Y800-I804 PolarHBondContact O-N 3.45Å |
| 801 | L | 95.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.6 | -45.7 | 175.4 | -73.2 | 168.8 | 0 | 0 | 0 | 111.5 | L360 I710 V712 L797 I798 I804 K806 T807 P808 | L360-L801 HydrophobicContact CD1-CD2 3.77Å; I710-L801 HydrophobicContact CG1-CD2 4.44Å; I710-L801 HydrophobicContact CG2-CD1 4.01Å; V712-L801 HydrophobicContact CG2-CD1 4.1Å; L797-L801 HydrophobicContact CG-CD1 4.49Å; L797-L801 WeakPolarHBondContact O-CG 3.35Å; L797-L801 PolarHBondContact O-N 3.24Å; I798-L801 WeakPolarHBondContact O-CB 3.48Å; I798-L801 PolarHBondContact O-N 2.83Å; L801-I804 WeakPolarHBondContact O-CG1 3.45Å; L801-K806 HydrophobicContact CD2-CB 4.42Å; L801-K806 CarbonylContact O-C 3.55Å; L801-K806 VanDerWaalsContact O-CA 3.25Å; L801-K806 WeakPolarHBondContact O-CA 3.42Å; L801-K806 PolarHBondContact O-N 2.95Å; L801-T807 PolarHBondContact O-N 3.25Å; L801-P808 HydrophobicContact CD1-CG 4.3Å |
| 802 | H | 94.8 | Very high | 96.3 | Very high | 70 Ų | 70 | 26 Ų | 26 | 32% | 0.324 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 174 | -178 | 65.5 | 0 | 0 | 0 | 112.2 | I798 G799 Y800 I804 G805 T807 T886 | I798-H802 PolarHBondContact O-N 2.95Å; G799-H802 PolarHBondContact O-N 2.85Å; Y800-H802 VanDerWaalsContact C-N 3.32Å; Y800-H802 PolarHBondContact O-N 3.33Å; H802-I804 VanDerWaalsContact C-N 3.33Å; H802-I804 PolarHBondContact O-N 3.18Å; H802-G805 PolarHBondContact O-N 3.5Å; H802-T807 PolarHBondContact ND1-OG1 3.1Å; H802-T886 HydrophobicContact CB-CG2 3.87Å; H802-T886 PolarHBondContact CE1-O 3.4Å; H802-T886 VanDerWaalsContact CE1-O 3.23Å |
| 803 | H | 92.4 | Very high | 96.4 | Very high | 133 Ų | 133 | 25.2 Ų | 25.2 | 62% | 0.616 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -60.3 | -37.9 | -179 | 178.5 | 68.3 | 0 | 0 | 0 | 113.3 | L345 G799 Y800 G805 | L345-H803 HydrophobicContact CD2-CB 4.3Å; G799-H803 VanDerWaalsContact O-CB 3.25Å; G799-H803 WeakPolarHBondContact O-CB 3.35Å; G799-H803 PolarHBondContact O-N 3.32Å; Y800-H803 WeakPolarHBondContact O-CB 3.5Å; Y800-H803 PolarHBondContact O-N 2.94Å; Y800-H803 VanDerWaalsContact O-N 3.13Å; H803-G805 PolarHBondContact O-N 3.02Å |
| 804 | I | 93 | Very high | 96.5 | Very high | 63 Ų | 63 | 24.7 Ų | 24.7 | 32% | 0.323 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 11.5 | 177 | 68.7 | 169.6 | 0 | 0 | 0 | 113.5 | L360 Y800 L801 H802 K806 | L360-I804 HydrophobicContact CD1-CD1 4.02Å; Y800-I804 HydrophobicContact CD1-CD1 4.43Å; Y800-I804 HydrophobicContact CD2-CG2 4.31Å; Y800-I804 HydrophobicContact CE1-CD1 3.82Å; Y800-I804 HydrophobicContact CE1-CG2 4.21Å; Y800-I804 HydrophobicContact CE2-CG2 3.78Å; Y800-I804 WeakPolarHBondContact O-CG1 3.02Å; Y800-I804 PolarHBondContact O-N 3.45Å; L801-I804 WeakPolarHBondContact O-CG1 3.45Å; H802-I804 VanDerWaalsContact C-N 3.33Å; H802-I804 PolarHBondContact O-N 3.18Å; I804-K806 VanDerWaalsContact C-N 3.32Å; I804-K806 HydrophobicContact CD1-CB 4.26Å; I804-K806 HydrophobicContact CD1-CG 4.12Å; I804-K806 HydrophobicContact CG1-CB 4.03Å; I804-K806 HydrophobicContact CG1-CG 4.07Å; I804-K806 PolarHBondContact O-N 2.93Å |
| 805 | G | 92.7 | Very high | 96.5 | Very high | 61 Ų | 61 | 24.6 Ų | 24.6 | 63% | 0.629 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75 | 16.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | H802 H803 | H802-G805 PolarHBondContact O-N 3.5Å; H803-G805 PolarHBondContact O-N 3.02Å |
| 806 | K | 94.7 | Very high | 96.5 | Very high | 63 Ų | 63 | 23.9 Ų | 23.9 | 27% | 0.274 | 13% | 0.134 | S | C | . | . | trans | -112.2 | 43.9 | 177.9 | -63.7 | -66.6 | 178.6 | -162.4 | 0 | 111.5 | L360 Q706 I710 L801 I804 | L360-K806 HydrophobicContact CD1-CB 4.37Å; L360-K806 HydrophobicContact CD1-CG 4.23Å; Q706-K806 WeakPolarHBondContact O-CE 3.32Å; Q706-K806 PolarHBondContact O-NZ 3.45Å; I710-K806 HydrophobicContact CG1-CB 4.25Å; L801-K806 HydrophobicContact CD2-CB 4.42Å; L801-K806 CarbonylContact O-C 3.55Å; L801-K806 VanDerWaalsContact O-CA 3.25Å; L801-K806 WeakPolarHBondContact O-CA 3.42Å; L801-K806 PolarHBondContact O-N 2.95Å; I804-K806 VanDerWaalsContact C-N 3.32Å; I804-K806 HydrophobicContact CD1-CB 4.26Å; I804-K806 HydrophobicContact CD1-CG 4.12Å; I804-K806 HydrophobicContact CG1-CB 4.03Å; I804-K806 HydrophobicContact CG1-CG 4.07Å; I804-K806 PolarHBondContact O-N 2.93Å | ||
| 807 | T | 96 | Very high | 96.4 | Very high | 51 Ų | 51 | 24.2 Ų | 24.2 | 31% | 0.313 | 14% | 0.135 | S | C | . | . | trans | -50.2 | 128.8 | 175.1 | -50.5 | 0 | 0 | 0 | 0 | 109.7 | L801 H802 L888 | L801-T807 PolarHBondContact O-N 3.25Å; H802-T807 PolarHBondContact ND1-OG1 3.1Å; T807-L888 HydrophobicContact CG2-CB 4.48Å | ||
| 808 | P | 98.3 | Very high | 96 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.013 | 14% | 0.138 | C | C | . | . | trans | -55.3 | 142.5 | 178.6 | -25.5 | 34.3 | 0 | 0 | 0 | 112.2 | I710 V712 I798 L801 V810 L888 | I710-P808 CarbonylContact O-C 3.57Å; I710-P808 VanDerWaalsContact O-CA 3.26Å; I710-P808 WeakPolarHBondContact O-CA 3.29Å; V712-P808 HydrophobicContact CB-CG 4.43Å; V712-P808 HydrophobicContact CG2-CB 3.87Å; V712-P808 HydrophobicContact CG2-CG 3.49Å; V712-P808 VanDerWaalsContact CG2-CG 3.49Å; I798-P808 HydrophobicContact CG2-CG 4.43Å; L801-P808 HydrophobicContact CD1-CG 4.3Å; P808-V810 VanDerWaalsContact C-N 3.34Å; P808-L888 HydrophobicContact CB-CD2 4.07Å; P808-L888 WeakPolarHBondContact O-CD1 3.22Å | ||
| 809 | L | 98.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 29.3 Ų | 29.3 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -69.5 | -36.3 | 171.8 | 177.7 | 67.7 | 0 | 0 | 0 | 111.1 | D709 I710 I711 F749 R890 I934 | D709-L809 HydrophobicContact CB-CB 4.01Å; D709-L809 HydrophobicContact CB-CD2 4.17Å; I710-L809 PolarHBondContact O-N 3.49Å; I711-L809 HydrophobicContact CD1-CB 4.06Å; I711-L809 HydrophobicContact CD1-CD2 4.32Å; F749-L809 HydrophobicContact CE1-CD2 3.83Å; L809-R890 WeakPolarHBondContact O-CB 3.34Å; L809-I934 HydrophobicContact CD1-CD1 4.08Å |
| 810 | V | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 136.6 | 177.7 | 177 | 0 | 0 | 0 | 0 | 109.5 | I711 V712 P808 C812 L850 R890 Y892 L927 L930 | I711-V810 HydrophobicContact CD1-CB 3.98Å; I711-V810 HydrophobicContact CD1-CG2 4.21Å; V712-V810 PolarHBondContact N-O 3.12Å; P808-V810 VanDerWaalsContact C-N 3.34Å; V810-C812 HydrophobicContact CG1-CB 4.43Å; V810-L850 HydrophobicContact CG1-CD2 3.91Å; V810-L850 HydrophobicContact CG2-CD2 4.5Å; V810-R890 WeakPolarHBondContact CA-O 3.32Å; V810-R890 HydrophobicContact CG2-CB 4.12Å; V810-Y892 HydrophobicContact CG1-CD2 4.11Å; V810-Y892 HydrophobicContact CG1-CE2 4.36Å; V810-L927 HydrophobicContact CB-CD2 4.12Å; V810-L927 HydrophobicContact CG1-CD2 4.25Å; V810-L927 HydrophobicContact CG2-CD2 3.75Å; V810-L930 HydrophobicContact CG2-CD2 3.82Å |
| 811 | Y | 98.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.9 | 161.4 | 171.4 | -102.3 | 0 | 0 | 0 | 108.9 | V712 S714 W780 I798 D813 A878 V882 R890 A891 Y892 | V712-Y811 HydrophobicContact CB-CD2 4Å; V712-Y811 HydrophobicContact CG1-CD2 3.78Å; V712-Y811 HydrophobicContact CG1-CE2 4.12Å; V712-Y811 VanDerWaalsContact O-CA 3.29Å; V712-Y811 WeakPolarHBondContact O-CA 3.48Å; S714-Y811 PolarHBondContact OG-OH 3.2Å; S714-Y811 VanDerWaalsContact OG-OH 3.12Å; W780-Y811 VanDerWaalsContact CH2-OH 3.31Å; W780-Y811 WeakPolarHBondContact CH2-OH 3.25Å; I798-Y811 HydrophobicContact CD1-CD2 3.64Å; I798-Y811 HydrophobicContact CD1-CE2 3.68Å; I798-Y811 HydrophobicContact CD1-CG 4.44Å; Y811-D813 HydrophobicContact CE1-CB 4.37Å; Y811-A878 HydrophobicContact CE1-CB 3.78Å; Y811-A878 VanDerWaalsContact OH-CB 3.24Å; Y811-A878 WeakPolarHBondContact OH-CB 3.25Å; Y811-V882 HydrophobicContact CD1-CB 4.19Å; Y811-V882 HydrophobicContact CD1-CG1 4.14Å; Y811-V882 HydrophobicContact CD1-CG2 4.14Å; Y811-V882 HydrophobicContact CE1-CG2 4.14Å; Y811-V882 HydrophobicContact CG-CG1 4.07Å; Y811-V882 HydrophobicContact CG-CG2 4.42Å; Y811-R890 PolarHBondContact N-O 2.96Å; Y811-A891 HydrophobicContact CD1-CB 4.33Å; Y811-A891 CarbonylContact O-C 3.56Å; Y811-A891 WeakPolarHBondContact O-CA 3.47Å; Y811-Y892 PolarHBondContact O-N 2.89Å |
| 812 | C | 98.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 124.3 | 175.8 | -165.4 | 0 | 0 | 0 | 0 | 112 | V712 I713 S714 V810 F814 Y892 F923 | V712-C812 PolarHBondContact O-N 3.48Å; I713-C812 WeakPolarHBondContact CA-O 3.48Å; I713-C812 WeakPolarHBondContact CG2-O 3.28Å; S714-C812 PolarHBondContact N-O 3.36Å; V810-C812 HydrophobicContact CG1-CB 4.43Å; C812-F814 HydrophobicContact CB-CE1 4.22Å; C812-F814 VanDerWaalsContact SG-CE1 3.59Å; C812-Y892 WeakPolarHBondContact CA-O 3.47Å; C812-F923 HydrophobicContact CB-CE2 4.2Å; C812-F923 HydrophobicContact CB-CZ 3.67Å |
| 813 | D | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.5 | 170.8 | -162.1 | 16.7 | 0 | 0 | 0 | 109.9 | S714 V717 Y811 H815 Y892 T893 M894 | S714-D813 WeakPolarHBondContact O-CA 3.3Å; S714-D813 WeakPolarHBondContact OG-CB 3.29Å; S714-D813 PolarHBondContact OG-OD1 3.07Å; V717-D813 WeakPolarHBondContact CG1-OD2 2.98Å; Y811-D813 HydrophobicContact CE1-CB 4.37Å; D813-H815 PolarHBondContact O-CD2 3.23Å; D813-H815 IonicContact OD2-CD2 3.36Å; D813-H815 IonicContact OD2-CE1 2.63Å; D813-H815 IonicContact OD2-NE2 3.86Å; D813-H815 PolarHBondContact OD2-NE2 2.94Å; D813-Y892 PolarHBondContact N-O 2.93Å; D813-T893 CarbonylContact O-C 3.12Å; D813-T893 WeakPolarHBondContact O-CA 3.4Å; D813-M894 PolarHBondContact O-N 3.41Å |
| 814 | F | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 137.5 | -179.3 | -69.6 | -1.1 | 0 | 0 | 0 | 112.1 | I713 S714 R716 S724 M727 M728 L731 C812 M894 F923 | I713-F814 HydrophobicContact CG2-CD1 4.33Å; I713-F814 HydrophobicContact CG2-CE1 3.98Å; I713-F814 HydrophobicContact CG2-CE2 4.2Å; I713-F814 HydrophobicContact CG2-CZ 3.92Å; S714-F814 PolarHBondContact O-N 3.34Å; R716-F814 PolarHBondContact N-O 3.48Å; S724-F814 WeakPolarHBondContact CB-O 3.43Å; M727-F814 HydrophobicContact CB-CD2 3.88Å; M727-F814 HydrophobicContact CB-CE2 4.09Å; M727-F814 HydrophobicContact CE-CB 4.12Å; M727-F814 HydrophobicContact CE-CD2 4.44Å; M727-F814 HydrophobicContact CE-CG 4.29Å; M728-F814 HydrophobicContact CE-CD2 4.17Å; M728-F814 HydrophobicContact CE-CE2 4.4Å; L731-F814 HydrophobicContact CD1-CE2 3.93Å; L731-F814 HydrophobicContact CD1-CZ 3.91Å; C812-F814 HydrophobicContact CB-CE1 4.22Å; C812-F814 VanDerWaalsContact SG-CE1 3.59Å; F814-M894 CarbonylContact C-O 3.45Å; F814-M894 WeakPolarHBondContact CA-O 3.42Å; F814-M894 HydrophobicContact CD1-CB 4.07Å; F814-M894 HydrophobicContact CD1-CE 3.62Å; F814-M894 HydrophobicContact CD2-CE 4.43Å; F814-M894 HydrophobicContact CE1-CB 4.42Å; F814-M894 HydrophobicContact CE1-CE 3.26Å; F814-M894 HydrophobicContact CE1-SD 4.37Å; F814-M894 HydrophobicContact CE2-CE 4.14Å; F814-M894 HydrophobicContact CG-CE 4.19Å; F814-M894 HydrophobicContact CZ-CE 3.56Å; F814-F923 HydrophobicContact CE1-CD1 4.49Å; F814-F923 HydrophobicContact CE1-CD2 4.09Å; F814-F923 HydrophobicContact CE1-CE1 4.33Å; F814-F923 AromaticContact CE1-CE2 3.93Å; F814-F923 HydrophobicContact CE1-CE2 3.93Å; F814-F923 HydrophobicContact CE1-CG 4.37Å; F814-F923 HydrophobicContact CE1-CZ 4.07Å; F814-F923 HydrophobicContact CZ-CB 4.47Å; F814-F923 AromaticContact CZ-CD1 3.93Å; F814-F923 HydrophobicContact CZ-CD1 3.93Å; F814-F923 HydrophobicContact CZ-CD2 4.05Å; F814-F923 HydrophobicContact CZ-CE1 4.13Å; F814-F923 HydrophobicContact CZ-CE2 4.26Å; F814-F923 AromaticContact CZ-CG 3.88Å; F814-F923 HydrophobicContact CZ-CG 3.88Å; F814-F923 HydrophobicContact CZ-CZ 4.3Å |
| 815 | H | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 176.9 | -169.1 | -78.6 | -88.6 | 0 | 0 | 0 | 113.3 | V717 H718 E721 D813 T893 M894 E895 A896 | V717-H815 WeakPolarHBondContact CG1-CE1 3.48Å; H718-H815 AromaticContact CE1-CE1 3.01Å; H718-H815 PolarHBondContact CE1-CE1 3.23Å; H718-H815 AromaticContact CE1-ND1 3.2Å; H718-H815 PolarHBondContact CE1-ND1 3.25Å; H718-H815 AromaticContact ND1-CE1 3.36Å; H718-H815 PolarHBondContact ND1-CE1 2.77Å; H718-H815 AromaticContact ND1-ND1 3.1Å; H718-H815 PolarHBondContact ND1-ND1 3.47Å; H718-H815 AromaticContact NE2-CE1 3.84Å; E721-H815 WeakPolarHBondContact OE2-CA 3.35Å; E721-H815 WeakPolarHBondContact OE2-CB 3.48Å; E721-H815 IonicContact OE2-CE1 2.79Å; E721-H815 IonicContact OE2-CG 3.73Å; E721-H815 IonicContact OE2-ND1 3.23Å; E721-H815 PolarHBondContact OE2-ND1 3.35Å; D813-H815 PolarHBondContact O-CD2 3.23Å; D813-H815 IonicContact OD2-CD2 3.36Å; D813-H815 IonicContact OD2-CE1 2.63Å; D813-H815 IonicContact OD2-NE2 3.86Å; D813-H815 PolarHBondContact OD2-NE2 2.94Å; H815-T893 HydrophobicContact CB-CG2 4.5Å; H815-T893 VanDerWaalsContact CD2-CG2 3.47Å; H815-T893 WeakPolarHBondContact CD2-CG2 3.35Å; H815-M894 PolarHBondContact N-O 2.81Å; H815-E895 HydrophobicContact CB-CB 4.14Å; H815-E895 HydrophobicContact CB-CG 3.77Å; H815-E895 WeakPolarHBondContact O-CA 3.43Å; H815-A896 PolarHBondContact O-N 3.38Å |
| 816 | G | 95.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E721 N723 A896 | E721-G816 PolarHBondContact OE2-N 3.37Å; E721-G816 VanDerWaalsContact OE2-N 3.15Å; N723-G816 WeakPolarHBondContact ND2-CA 3.29Å; N723-G816 WeakPolarHBondContact OD1-CA 3.42Å; G816-A896 CarbonylContact C-O 3.48Å; G816-A896 WeakPolarHBondContact CA-O 3.25Å |
| 817 | H | 94.7 | Very high | 96.5 | Very high | 12 Ų | 12 | 17.4 Ų | 17.4 | 6% | 0.056 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.5 | -175.6 | -167.3 | -95.4 | 0 | 0 | 0 | 112.8 | R819 K820 F824 E895 A896 Y898 | H817-R819 PolarHBondContact CE1-N 3.47Å; H817-R819 PolarHBondContact ND1-N 3.29Å; H817-K820 VanDerWaalsContact CE1-CB 3.5Å; H817-K820 WeakPolarHBondContact CE1-CB 3.21Å; H817-K820 PolarHBondContact CE1-N 3.1Å; H817-K820 WeakPolarHBondContact ND1-CB 3.23Å; H817-K820 PolarHBondContact ND1-N 2.83Å; H817-F824 HydrophobicContact CB-CE1 4.38Å; H817-F824 HydrophobicContact CB-CZ 3.83Å; H817-F824 AromaticContact CD2-CZ 3.86Å; H817-F824 AromaticContact CG-CZ 3.53Å; H817-F824 AromaticContact ND1-CZ 3.67Å; H817-E895 HydrophobicContact CB-CB 3.83Å; H817-E895 VanDerWaalsContact CB-OE2 3.25Å; H817-E895 WeakPolarHBondContact CB-OE2 3.28Å; H817-E895 IonicContact CD2-OE2 3.65Å; H817-E895 PolarHBondContact CD2-OE2 3.43Å; H817-E895 IonicContact CG-OE2 3.48Å; H817-A896 PolarHBondContact N-O 2.62Å; H817-Y898 VanDerWaalsContact C-CD2 3.48Å; H817-Y898 WeakPolarHBondContact O-CD2 3.25Å; H817-Y898 PolarHBondContact O-N 3.09Å |
| 818 | S | 89.2 | Confident | 96.5 | Very high | 9 Ų | 9 | 15 Ų | 15 | 6% | 0.063 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -97.2 | 8.2 | -172.5 | 68.4 | 0 | 0 | 0 | 0 | 115.6 | K569 L573 | K569-S818 WeakPolarHBondContact CD-OG 3.07Å; K569-S818 PolarHBondContact NZ-OG 2.71Å; L573-S818 WeakPolarHBondContact CG-O 3.46Å; L573-S818 PolarHBondContact N-O 2.96Å |
| 819 | R | 87.1 | Confident | 96.3 | Very high | 103 Ų | 103 | 15.8 Ų | 15.8 | 39% | 0.389 | 7% | 0.07 | S | C | . | . | S | Bend | trans | -133.9 | -7.8 | -174.8 | -55.9 | -179 | -65.9 | 166.9 | 2.8 | 115.8 | E308 R571 H817 | E308-R819 IonicContact OE1-CZ 3.66Å; E308-R819 IonicContact OE1-NH1 3.44Å; E308-R819 PolarHBondContact OE1-NH1 2.86Å; E308-R819 IonicContact OE2-NH1 3.58Å; E308-R819 PolarHBondContact OE2-NH1 3.08Å; R571-R819 HydrophobicContact CB-CG 4.06Å; H817-R819 PolarHBondContact CE1-N 3.47Å; H817-R819 PolarHBondContact ND1-N 3.29Å |
| 820 | K | 92.4 | Very high | 96 | Very high | 68 Ų | 68 | 15 Ų | 15 | 30% | 0.296 | 7% | 0.066 | S | C | . | . | S | Bend | trans | -132.7 | 150.9 | -178.7 | -74.3 | 171.8 | 175.2 | -177.2 | 0 | 108.3 | H817 F824 Y865 S897 | H817-K820 VanDerWaalsContact CE1-CB 3.5Å; H817-K820 WeakPolarHBondContact CE1-CB 3.21Å; H817-K820 PolarHBondContact CE1-N 3.1Å; H817-K820 WeakPolarHBondContact ND1-CB 3.23Å; H817-K820 PolarHBondContact ND1-N 2.83Å; K820-F824 HydrophobicContact CB-CE1 3.58Å; K820-F824 HydrophobicContact CB-CZ 3.77Å; K820-F824 HydrophobicContact CD-CE1 3.91Å; K820-F824 HydrophobicContact CD-CE2 3.99Å; K820-F824 HydrophobicContact CD-CZ 3.52Å; K820-F824 HydrophobicContact CG-CE1 4.43Å; K820-F824 HydrophobicContact CG-CZ 4.27Å; K820-Y865 HydrophobicContact CD-CG 4.44Å; K820-Y865 PolarHBondContact NZ-O 2.94Å; K820-Y865 VanDerWaalsContact NZ-O 3.07Å; K820-S897 VanDerWaalsContact O-CB 3.26Å; K820-S897 WeakPolarHBondContact O-CB 3.36Å; K820-S897 PolarHBondContact O-OG 3Å |
| 821 | K | 95.5 | Very high | 95.7 | Very high | 47 Ų | 47 | 18.9 Ų | 18.9 | 20% | 0.204 | 9% | 0.087 | C | C | . | . | trans | -86.8 | 173 | 173.9 | -70 | 172.7 | -172.2 | 163.8 | 0 | 110.7 | L481 L573 Y865 S897 G900 D902 | L481-K821 HydrophobicContact CD1-CD 4.4Å; L573-K821 HydrophobicContact CD2-CG 4.32Å; K821-Y865 WeakPolarHBondContact O-CD2 3.46Å; K821-S897 WeakPolarHBondContact CA-OG 3.27Å; K821-G900 WeakPolarHBondContact CA-O 3.44Å; K821-G900 VanDerWaalsContact CB-O 3.23Å; K821-G900 WeakPolarHBondContact CB-O 3.13Å; K821-D902 HydrophobicContact CB-CB 4.33Å; K821-D902 WeakPolarHBondContact CB-OD2 3.34Å; K821-D902 HydrophobicContact CD-CB 3.58Å; K821-D902 WeakPolarHBondContact CD-OD2 3.43Å | ||
| 822 | N | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 62.5 | -164.4 | -177.1 | -42.7 | -47.2 | 0 | 0 | 0 | 113.6 | G860 H862 Y865 S897 G900 F901 D902 | N822-G860 WeakPolarHBondContact CB-O 3.42Å; N822-H862 HydrophobicContact CB-CB 3.99Å; N822-H862 PolarHBondContact ND2-CD2 3.34Å; N822-Y865 WeakPolarHBondContact ND2-CE2 3.26Å; N822-S897 VanDerWaalsContact O-CB 3.27Å; N822-S897 WeakPolarHBondContact O-CB 3.43Å; N822-S897 PolarHBondContact O-N 2.94Å; N822-G900 PolarHBondContact N-O 2.83Å; N822-F901 HydrophobicContact CB-CD1 4.43Å; N822-F901 WeakPolarHBondContact OD1-CA 3.39Å; N822-F901 WeakPolarHBondContact OD1-CB 3.22Å; N822-D902 PolarHBondContact ND2-OD1 2.92Å; N822-D902 PolarHBondContact OD1-N 3.29Å; N822-D902 VanDerWaalsContact OD1-N 3.09Å; N822-D902 PolarHBondContact OD1-OD1 3.38Å |
| 823 | I | 98.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 139.5 | 175.3 | -51.3 | -177.5 | 0 | 0 | 0 | 107.8 | M727 G860 F861 H862 M894 E895 A896 M911 M919 | M727-I823 HydrophobicContact SD-CD1 4.27Å; M727-I823 HydrophobicContact SD-CG2 4.36Å; I823-G860 PolarHBondContact N-O 3.45Å; I823-F861 HydrophobicContact CB-CD2 4.33Å; I823-F861 HydrophobicContact CG2-CD2 4.09Å; I823-F861 CarbonylContact O-C 3.48Å; I823-F861 VanDerWaalsContact O-CA 3.29Å; I823-F861 WeakPolarHBondContact O-CA 2.77Å; I823-H862 PolarHBondContact O-N 3.45Å; I823-M894 HydrophobicContact CG2-CG 4Å; I823-M894 HydrophobicContact CG2-SD 4.3Å; I823-E895 WeakPolarHBondContact CA-O 3.48Å; I823-A896 HydrophobicContact CD1-CB 4.08Å; I823-A896 HydrophobicContact CG1-CB 3.86Å; I823-A896 HydrophobicContact CG2-CB 4.35Å; I823-M911 HydrophobicContact CD1-CE 4.42Å; I823-M911 HydrophobicContact CG1-CE 4Å; I823-M919 HydrophobicContact CB-SD 4.32Å; I823-M919 HydrophobicContact CD1-CB 3.7Å; I823-M919 HydrophobicContact CD1-CG 3.45Å; I823-M919 VanDerWaalsContact CD1-CG 3.45Å; I823-M919 HydrophobicContact CD1-SD 3.81Å; I823-M919 HydrophobicContact CG2-CG 4.17Å; I823-M919 HydrophobicContact CG2-SD 4.16Å |
| 824 | F | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 170.5 | -178.2 | 52.3 | -88.6 | 0 | 0 | 0 | 110.5 | H817 K820 Y826 Y865 M894 E895 | H817-F824 HydrophobicContact CB-CE1 4.38Å; H817-F824 HydrophobicContact CB-CZ 3.83Å; H817-F824 AromaticContact CD2-CZ 3.86Å; H817-F824 AromaticContact CG-CZ 3.53Å; H817-F824 AromaticContact ND1-CZ 3.67Å; K820-F824 HydrophobicContact CB-CE1 3.58Å; K820-F824 HydrophobicContact CB-CZ 3.77Å; K820-F824 HydrophobicContact CD-CE1 3.91Å; K820-F824 HydrophobicContact CD-CE2 3.99Å; K820-F824 HydrophobicContact CD-CZ 3.52Å; K820-F824 HydrophobicContact CG-CE1 4.43Å; K820-F824 HydrophobicContact CG-CZ 4.27Å; F824-Y826 HydrophobicContact CD2-CE2 4.13Å; F824-Y826 HydrophobicContact CE2-CD2 4.49Å; F824-Y826 AromaticContact CE2-CE2 3.61Å; F824-Y826 HydrophobicContact CE2-CE2 3.61Å; F824-Y826 AromaticContact CE2-CZ 3.89Å; F824-Y865 HydrophobicContact CD1-CD2 4.24Å; F824-Y865 WeakPolarHBondContact CD2-O 3.12Å; F824-M894 WeakPolarHBondContact O-CA 3.44Å; F824-E895 HydrophobicContact CE2-CB 4.41Å; F824-E895 HydrophobicContact CZ-CB 4.5Å; F824-E895 PolarHBondContact N-O 2.88Å; F824-E895 PolarHBondContact O-N 3.3Å |
| 825 | A | 98.3 | Very high | 94 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 3% | 0.025 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 153.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P851 F861 C866 S867 T893 | A825-P851 HydrophobicContact CB-CG 4.16Å; A825-F861 HydrophobicContact CB-CE2 4.31Å; A825-F861 HydrophobicContact CB-CZ 3.98Å; A825-C866 PolarHBondContact N-SG 3.08Å; A825-C866 WeakPolarHBondContact O-CA 3.31Å; A825-C866 WeakPolarHBondContact O-CB 3.3Å; A825-S867 PolarHBondContact O-N 3.46Å; A825-T893 CarbonylContact C-O 3.44Å; A825-T893 WeakPolarHBondContact CA-O 3.28Å |
| 826 | Y | 97.2 | Very high | 93.5 | Very high | 39 Ų | 39 | 32 Ų | 32 | 15% | 0.153 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 124.1 | 172.8 | -73.6 | -79 | 0 | 0 | 0 | 108.1 | F824 S867 R879 Y892 T893 E895 | F824-Y826 HydrophobicContact CD2-CE2 4.13Å; F824-Y826 HydrophobicContact CE2-CD2 4.49Å; F824-Y826 AromaticContact CE2-CE2 3.61Å; F824-Y826 HydrophobicContact CE2-CE2 3.61Å; F824-Y826 AromaticContact CE2-CZ 3.89Å; Y826-S867 VanDerWaalsContact CA-O 3.25Å; Y826-S867 WeakPolarHBondContact CA-O 3.44Å; Y826-R879 VanDerWaalsContact C-NH1 3.3Å; Y826-R879 VanDerWaalsContact CB-NH1 3.32Å; Y826-Y892 CarbonylContact O-C 3.54Å; Y826-Y892 VanDerWaalsContact O-CA 3.32Å; Y826-Y892 WeakPolarHBondContact O-CA 3.36Å; Y826-T893 HydrophobicContact CD2-CG2 4.2Å; Y826-T893 PolarHBondContact N-O 3.47Å; Y826-T893 PolarHBondContact O-N 2.88Å; Y826-E895 HydrophobicContact CD2-CG 3.89Å; Y826-E895 WeakPolarHBondContact CD2-OE1 3.45Å; Y826-E895 VanDerWaalsContact CE2-CD 3.46Å; Y826-E895 HydrophobicContact CE2-CG 3.79Å; Y826-E895 WeakPolarHBondContact CE2-OE1 3.5Å |
| 827 | G | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -129.4 | -171.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S867 F868 R879 | G827-S867 PolarHBondContact N-O 3.26Å; G827-S867 VanDerWaalsContact N-O 3.09Å; G827-F868 CarbonylContact O-C 3.33Å; G827-F868 VanDerWaalsContact O-CA 3.24Å; G827-F868 WeakPolarHBondContact O-CA 3.38Å; G827-R879 VanDerWaalsContact N-NH1 3.18Å; G827-R879 PolarHBondContact O-NH1 2.83Å | ||
| 828 | N | 95.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | trans | -120.9 | 103.6 | -172.2 | -52.6 | -55.8 | 0 | 0 | 0 | 110.6 | P830 F847 I870 R879 W883 A891 | N828-P830 WeakPolarHBondContact O-CD 3.38Å; N828-F847 VanDerWaalsContact O-CD1 3.25Å; N828-F847 WeakPolarHBondContact O-CD1 3.39Å; N828-I870 HydrophobicContact CB-CD1 3.97Å; N828-I870 HydrophobicContact CB-CG1 4.03Å; N828-R879 PolarHBondContact ND2-O 2.98Å; N828-W883 HydrophobicContact CB-CB 4.45Å; N828-W883 HydrophobicContact CB-CD2 3.57Å; N828-W883 HydrophobicContact CB-CE3 3.74Å; N828-W883 HydrophobicContact CB-CG 3.88Å; N828-W883 HydrophobicContact CB-CZ3 4.3Å; N828-W883 WeakPolarHBondContact ND2-CB 3.23Å; N828-A891 PolarHBondContact ND2-O 2.92Å | ||
| 829 | N | 94.2 | Very high | 93 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | trans | -92 | 113.1 | 170.5 | 179.5 | -9.3 | 0 | 0 | 0 | 108.8 | N831 L832 S833 F847 F868 I870 | N829-N831 PolarHBondContact O-N 3.08Å; N829-N831 VanDerWaalsContact O-N 3.17Å; N829-N831 WeakPolarHBondContact OD1-CB 3.47Å; N829-N831 PolarHBondContact OD1-N 2.97Å; N829-L832 HydrophobicContact CB-CB 4.26Å; N829-L832 HydrophobicContact CB-CD1 4.28Å; N829-L832 HydrophobicContact CB-CG 4.28Å; N829-L832 CarbonylContact O-C 3.1Å; N829-L832 PolarHBondContact O-N 2.71Å; N829-S833 PolarHBondContact O-N 3.25Å; N829-F847 HydrophobicContact CB-CD1 4.43Å; N829-F847 HydrophobicContact CB-CD2 4.34Å; N829-F847 HydrophobicContact CB-CE1 3.94Å; N829-F847 HydrophobicContact CB-CE2 3.85Å; N829-F847 HydrophobicContact CB-CZ 3.63Å; N829-F847 VanDerWaalsContact CG-CZ 3.42Å; N829-F868 HydrophobicContact CB-CB 3.67Å; N829-F868 WeakPolarHBondContact CB-O 3.21Å; N829-F868 PolarHBondContact N-O 3.11Å; N829-I870 WeakPolarHBondContact O-CD1 3.44Å | ||
| 830 | P | 92 | Very high | 92.9 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -54.7 | -37.1 | -178.9 | -23.3 | 32.8 | 0 | 0 | 0 | 112.9 | N828 L832 S833 D838 H843 W883 | N828-P830 WeakPolarHBondContact O-CD 3.38Å; P830-L832 PolarHBondContact O-N 3.47Å; P830-S833 VanDerWaalsContact O-CB 3.25Å; P830-S833 WeakPolarHBondContact O-CB 3.32Å; P830-S833 PolarHBondContact O-N 3.49Å; P830-S833 VanDerWaalsContact O-N 3.09Å; P830-D838 HydrophobicContact CB-CB 4.47Å; P830-D838 WeakPolarHBondContact CB-O 3.4Å; P830-H843 HydrophobicContact CG-CB 4.5Å; P830-W883 HydrophobicContact CB-CZ2 4.25Å; P830-W883 HydrophobicContact CG-CZ2 3.91Å |
| 831 | N | 91.8 | Very high | 92.5 | Very high | 81 Ų | 81 | 42.2 Ų | 42.2 | 43% | 0.433 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -68.3 | -18.1 | 179.6 | -61.9 | -34.8 | 0 | 0 | 0 | 113.9 | N829 H843 | N829-N831 PolarHBondContact O-N 3.08Å; N829-N831 VanDerWaalsContact O-N 3.17Å; N829-N831 WeakPolarHBondContact OD1-CB 3.47Å; N829-N831 PolarHBondContact OD1-N 2.97Å; N831-H843 PolarHBondContact ND2-CE1 3.45Å; N831-H843 PolarHBondContact ND2-NE2 3.04Å |
| 832 | L | 91 | Very high | 91.9 | Very high | 65 Ų | 65 | 49.2 Ų | 49.2 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -106.8 | 24.1 | 175.9 | -57.2 | 179.6 | 0 | 0 | 0 | 111.1 | N829 P830 I870 | N829-L832 HydrophobicContact CB-CB 4.26Å; N829-L832 HydrophobicContact CB-CD1 4.28Å; N829-L832 HydrophobicContact CB-CG 4.28Å; N829-L832 CarbonylContact O-C 3.1Å; N829-L832 PolarHBondContact O-N 2.71Å; P830-L832 PolarHBondContact O-N 3.47Å; L832-I870 PolarHBondContact O-N 3.37Å |
| 833 | S | 91 | Very high | 91.4 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 136.9 | 174.6 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | N829 P830 Y835 D838 W839 R884 | N829-S833 PolarHBondContact O-N 3.25Å; P830-S833 VanDerWaalsContact O-CB 3.25Å; P830-S833 WeakPolarHBondContact O-CB 3.32Å; P830-S833 PolarHBondContact O-N 3.49Å; P830-S833 VanDerWaalsContact O-N 3.09Å; S833-Y835 PolarHBondContact O-N 2.94Å; S833-Y835 PolarHBondContact OG-N 2.94Å; S833-Y835 VanDerWaalsContact OG-N 3.15Å; S833-Y835 PolarHBondContact OG-O 3.08Å; S833-D838 VanDerWaalsContact CB-OD2 3.27Å; S833-D838 WeakPolarHBondContact CB-OD2 3.44Å; S833-D838 PolarHBondContact OG-OD2 3.25Å; S833-W839 PolarHBondContact O-NE1 3.38Å; S833-R884 PolarHBondContact OG-NH2 2.96Å |
| 834 | W | 88.9 | Confident | 90.8 | Very high | 82 Ų | 82 | 56.6 Ų | 56.6 | 31% | 0.311 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -60 | -27.6 | 168 | 77.3 | -89.7 | 0 | 0 | 0 | 112.6 | I870 K871 K872 E875 | W834-I870 WeakPolarHBondContact CB-O 3.47Å; W834-I870 PolarHBondContact N-O 2.98Å; W834-K871 VanDerWaalsContact CD1-C 3.48Å; W834-K872 VanDerWaalsContact CD1-N 3.33Å; W834-K872 HydrophobicContact CD2-CB 3.74Å; W834-K872 HydrophobicContact CD2-CD 4.49Å; W834-K872 HydrophobicContact CD2-CG 4.08Å; W834-K872 HydrophobicContact CE3-CB 4.17Å; W834-K872 HydrophobicContact CE3-CD 4.13Å; W834-K872 HydrophobicContact CE3-CG 4.22Å; W834-K872 HydrophobicContact CG-CB 3.94Å; W834-K872 HydrophobicContact CH2-CD 4.07Å; W834-K872 HydrophobicContact CH2-CG 4.13Å; W834-K872 HydrophobicContact CZ2-CB 4.45Å; W834-K872 HydrophobicContact CZ2-CD 4.43Å; W834-K872 HydrophobicContact CZ2-CG 3.97Å; W834-K872 HydrophobicContact CZ3-CD 3.92Å; W834-K872 HydrophobicContact CZ3-CG 4.26Å; W834-E875 PolarHBondContact NE1-OE2 3.48Å |
| 835 | Y | 89.9 | Confident | 90.4 | Very high | 55 Ų | 55 | 59 Ų | 59 | 22% | 0.216 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -94 | 112.9 | 178.4 | -179.4 | -117.4 | 0 | 0 | 0 | 110 | P339 S833 G837 D838 | P339-Y835 WeakPolarHBondContact CA-OH 3.46Å; S833-Y835 PolarHBondContact O-N 2.94Å; S833-Y835 PolarHBondContact OG-N 2.94Å; S833-Y835 VanDerWaalsContact OG-N 3.15Å; S833-Y835 PolarHBondContact OG-O 3.08Å; Y835-G837 PolarHBondContact O-N 2.88Å; Y835-G837 VanDerWaalsContact O-N 3.13Å; Y835-D838 PolarHBondContact O-N 3.08Å; Y835-D838 VanDerWaalsContact O-N 3.15Å |
| 836 | S | 87.7 | Confident | 90.2 | Very high | 74 Ų | 74 | 60.4 Ų | 60.4 | 52% | 0.517 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -65.2 | -17.2 | -174.9 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | D838 W839 | S836-D838 VanDerWaalsContact C-N 3.25Å; S836-D838 PolarHBondContact O-N 3.06Å; S836-W839 WeakPolarHBondContact O-CB 3.32Å; S836-W839 PolarHBondContact O-N 3.46Å |
| 837 | G | 88.5 | Confident | 90.1 | Very high | 29 Ų | 29 | 58.8 Ų | 58.8 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -63.7 | -31.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y835 W839 | Y835-G837 PolarHBondContact O-N 2.88Å; Y835-G837 VanDerWaalsContact O-N 3.13Å; G837-W839 PolarHBondContact O-N 2.95Å |
| 838 | D | 89.6 | Confident | 90 | Very high | 16 Ų | 16 | 60.7 Ų | 60.7 | 9% | 0.086 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -68.4 | -25.1 | -178.8 | -64.5 | -22.4 | 0 | 0 | 0 | 112.5 | P830 S833 Y835 S836 K840 S841 W883 R884 | P830-D838 HydrophobicContact CB-CB 4.47Å; P830-D838 WeakPolarHBondContact CB-O 3.4Å; S833-D838 VanDerWaalsContact CB-OD2 3.27Å; S833-D838 WeakPolarHBondContact CB-OD2 3.44Å; S833-D838 PolarHBondContact OG-OD2 3.25Å; Y835-D838 PolarHBondContact O-N 3.08Å; Y835-D838 VanDerWaalsContact O-N 3.15Å; S836-D838 VanDerWaalsContact C-N 3.25Å; S836-D838 PolarHBondContact O-N 3.06Å; D838-K840 PolarHBondContact O-N 3.01Å; D838-S841 VanDerWaalsContact O-CB 3.23Å; D838-S841 WeakPolarHBondContact O-CB 3.4Å; D838-S841 PolarHBondContact O-N 2.92Å; D838-S841 PolarHBondContact O-OG 3.34Å; D838-W883 HydrophobicContact CB-CH2 3.96Å; D838-W883 WeakPolarHBondContact OD2-CH2 3.36Å; D838-R884 IonicContact OD1-NE 3.19Å; D838-R884 IonicContact OD2-CZ 2.79Å; D838-R884 IonicContact OD2-NE 2.67Å; D838-R884 PolarHBondContact OD2-NE 3.16Å; D838-R884 IonicContact OD2-NH2 3.03Å; D838-R884 PolarHBondContact OD2-NH2 3.3Å |
| 839 | W | 90.1 | Very high | 90 | Very high | 122 Ų | 122 | 61.4 Ų | 61.4 | 46% | 0.462 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -66 | -14.5 | -173.8 | -55.9 | -0.7 | 0 | 0 | 0 | 113 | S833 S836 G837 S841 | S833-W839 PolarHBondContact O-NE1 3.38Å; S836-W839 WeakPolarHBondContact O-CB 3.32Å; S836-W839 PolarHBondContact O-N 3.46Å; G837-W839 PolarHBondContact O-N 2.95Å; W839-S841 VanDerWaalsContact C-N 3.32Å |
| 840 | K | 86.2 | Confident | 90.2 | Very high | 184 Ų | 184 | 60.6 Ų | 60.6 | 80% | 0.8 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -81.9 | -12.6 | 175.7 | -61.3 | -178.7 | -179.2 | -179.7 | 0 | 112.8 | D838 Q842 | D838-K840 PolarHBondContact O-N 3.01Å; K840-Q842 PolarHBondContact O-N 3.29Å |
| 841 | S | 83.8 | Confident | 90.5 | Very high | 57 Ų | 57 | 60.5 Ų | 60.5 | 40% | 0.399 | 30% | 0.295 | S | S | . | . | trans | -69.9 | 122.3 | -177.4 | -48.9 | 0 | 0 | 0 | 0 | 110 | D838 W839 | D838-S841 VanDerWaalsContact O-CB 3.23Å; D838-S841 WeakPolarHBondContact O-CB 3.4Å; D838-S841 PolarHBondContact O-N 2.92Å; D838-S841 PolarHBondContact O-OG 3.34Å; W839-S841 VanDerWaalsContact C-N 3.32Å | ||
| 842 | Q | 83.2 | Confident | 90.8 | Very high | 195 Ų | 195 | 58.1 Ų | 58.1 | 91% | 0.911 | 28% | 0.281 | S | S | * | . | trans | -69.7 | 134.9 | 170.7 | -66.8 | -177.8 | -7.6 | 0 | 0 | 109.4 | K840 | K840-Q842 PolarHBondContact O-N 3.29Š| ||
| 843 | H | 86 | Confident | 91.1 | Very high | 37 Ų | 37 | 55 Ų | 55 | 17% | 0.171 | 27% | 0.265 | C | S | . | . | trans | -148.1 | 151.5 | 177.6 | 65.7 | 75.6 | 0 | 0 | 0 | 110.3 | P830 N831 F845 F847 | P830-H843 HydrophobicContact CG-CB 4.5Å; N831-H843 PolarHBondContact ND2-CE1 3.45Å; N831-H843 PolarHBondContact ND2-NE2 3.04Å; H843-F845 PolarHBondContact ND1-N 2.89Å; H843-F847 AromaticContact CE1-CE1 3.99Å; H843-F847 AromaticContact ND1-CE1 3.77Å | ||
| 844 | Q | 87.4 | Confident | 91.5 | Very high | 120 Ų | 120 | 54.9 Ų | 54.9 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | trans | -108.9 | 33.4 | 174.6 | -58.2 | -173.2 | -8 | 0 | 0 | 112.1 | E846 | Q844-E846 WeakPolarHBondContact CB-OE1 3.44Å; Q844-E846 PolarHBondContact N-OE1 2.97Å; Q844-E846 PolarHBondContact N-OE2 3.37Å; Q844-E846 PolarHBondContact O-N 3.49Å | ||
| 845 | F | 90.3 | Very high | 91.9 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 22% | 0.219 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 61.8 | 31.7 | -179.7 | -60.3 | -97.4 | 0 | 0 | 0 | 113 | H843 F847 Y848 V943 | H843-F845 PolarHBondContact ND1-N 2.89Å; F845-F847 HydrophobicContact CB-CZ 4.35Å; F845-F847 HydrophobicContact CD1-CE1 4.48Å; F845-F847 HydrophobicContact CD1-CE2 4.19Å; F845-F847 AromaticContact CD1-CZ 3.66Å; F845-F847 HydrophobicContact CD1-CZ 3.66Å; F845-F847 HydrophobicContact CE1-CZ 4.39Å; F845-F847 HydrophobicContact CG-CZ 4.3Å; F845-F847 PolarHBondContact O-N 3.16Å; F845-Y848 WeakPolarHBondContact O-CB 3.34Å; F845-Y848 PolarHBondContact O-N 3.42Å; F845-V943 HydrophobicContact CB-CG2 4.33Å; F845-V943 HydrophobicContact CD2-CG1 3.37Å; F845-V943 HydrophobicContact CD2-CG2 4.4Å; F845-V943 HydrophobicContact CE2-CG1 3.73Å; F845-V943 HydrophobicContact CG-CG1 4.32Å |
| 846 | E | 93.7 | Very high | 92.2 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 15% | 0.15 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.9 | -33.2 | -178.3 | -56 | 85.2 | 162.3 | 0 | 0 | 112.3 | Q844 Y848 Q849 C889 R890 Y892 | Q844-E846 WeakPolarHBondContact CB-OE1 3.44Å; Q844-E846 PolarHBondContact N-OE1 2.97Å; Q844-E846 PolarHBondContact N-OE2 3.37Å; Q844-E846 PolarHBondContact O-N 3.49Å; E846-Y848 PolarHBondContact O-N 3.3Å; E846-Y848 VanDerWaalsContact O-N 3.1Å; E846-Q849 VanDerWaalsContact CA-NE2 3.33Å; E846-Q849 PolarHBondContact O-N 3.1Å; E846-C889 HydrophobicContact CB-CB 3.68Å; E846-C889 HydrophobicContact CG-CB 4.29Å; E846-R890 HydrophobicContact CB-CG 4.19Å; E846-Y892 PolarHBondContact O-OH 3.48Å; E846-Y892 VanDerWaalsContact O-OH 3.13Å |
| 847 | F | 94.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.9 | -20.8 | 172.8 | 57.2 | -102.6 | 0 | 0 | 0 | 113 | N828 N829 H843 F845 F868 C889 Y892 | N828-F847 VanDerWaalsContact O-CD1 3.25Å; N828-F847 WeakPolarHBondContact O-CD1 3.39Å; N829-F847 HydrophobicContact CB-CD1 4.43Å; N829-F847 HydrophobicContact CB-CD2 4.34Å; N829-F847 HydrophobicContact CB-CE1 3.94Å; N829-F847 HydrophobicContact CB-CE2 3.85Å; N829-F847 HydrophobicContact CB-CZ 3.63Å; N829-F847 VanDerWaalsContact CG-CZ 3.42Å; H843-F847 AromaticContact CE1-CE1 3.99Å; H843-F847 AromaticContact ND1-CE1 3.77Å; F845-F847 HydrophobicContact CB-CZ 4.35Å; F845-F847 HydrophobicContact CD1-CE1 4.48Å; F845-F847 HydrophobicContact CD1-CE2 4.19Å; F845-F847 AromaticContact CD1-CZ 3.66Å; F845-F847 HydrophobicContact CD1-CZ 3.66Å; F845-F847 HydrophobicContact CE1-CZ 4.39Å; F845-F847 HydrophobicContact CG-CZ 4.3Å; F845-F847 PolarHBondContact O-N 3.16Å; F847-F868 HydrophobicContact CB-CD1 4.31Å; F847-F868 HydrophobicContact CD2-CB 4.18Å; F847-F868 AromaticContact CD2-CD1 3.62Å; F847-F868 HydrophobicContact CD2-CD1 3.62Å; F847-F868 HydrophobicContact CD2-CE1 4.15Å; F847-F868 AromaticContact CD2-CG 3.86Å; F847-F868 HydrophobicContact CD2-CG 3.86Å; F847-F868 HydrophobicContact CE2-CB 4.36Å; F847-F868 HydrophobicContact CE2-CD1 4.44Å; F847-F868 HydrophobicContact CE2-CG 4.25Å; F847-F868 HydrophobicContact CG-CD1 4.36Å; F847-F868 WeakPolarHBondContact O-CE1 3.5Å; F847-C889 WeakPolarHBondContact CA-O 3.38Å; F847-Y892 VanDerWaalsContact C-OH 3.25Å; F847-Y892 WeakPolarHBondContact CA-OH 3.35Å; F847-Y892 WeakPolarHBondContact O-CE1 3.46Å; F847-Y892 PolarHBondContact O-OH 3.42Å |
| 848 | Y | 95.4 | Very high | 93 | Very high | 40 Ų | 40 | 52.7 Ų | 52.7 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -92.7 | -22 | -178.6 | -160.9 | -96.2 | 0 | 0 | 0 | 114 | F845 E846 L850 P851 E852 L863 F868 M946 | F845-Y848 WeakPolarHBondContact O-CB 3.34Å; F845-Y848 PolarHBondContact O-N 3.42Å; E846-Y848 PolarHBondContact O-N 3.3Å; E846-Y848 VanDerWaalsContact O-N 3.1Å; Y848-L850 PolarHBondContact O-N 3.24Å; Y848-P851 WeakPolarHBondContact O-CD 3.42Å; Y848-E852 HydrophobicContact CD1-CB 3.99Å; Y848-E852 HydrophobicContact CE1-CB 4.01Å; Y848-E852 HydrophobicContact CE1-CG 4.4Å; Y848-E852 WeakPolarHBondContact O-CB 3.44Å; Y848-E852 PolarHBondContact O-N 2.91Å; Y848-L863 HydrophobicContact CE1-CD1 4.27Å; Y848-L863 HydrophobicContact CE1-CD2 3.8Å; Y848-L863 HydrophobicContact CE1-CG 4.42Å; Y848-L863 HydrophobicContact CE2-CD1 3.94Å; Y848-L863 HydrophobicContact CE2-CG 4.3Å; Y848-L863 WeakPolarHBondContact OH-CD2 3.48Å; Y848-L863 WeakPolarHBondContact OH-CG 3.31Å; Y848-F868 HydrophobicContact CD2-CD2 4.25Å; Y848-F868 HydrophobicContact CD2-CE1 4.49Å; Y848-F868 AromaticContact CD2-CE2 3.45Å; Y848-F868 HydrophobicContact CD2-CE2 3.45Å; Y848-F868 VanDerWaalsContact CD2-CE2 3.45Å; Y848-F868 AromaticContact CD2-CZ 3.59Å; Y848-F868 HydrophobicContact CD2-CZ 3.59Å; Y848-F868 AromaticContact CE2-CE2 3.7Å; Y848-F868 HydrophobicContact CE2-CE2 3.7Å; Y848-F868 HydrophobicContact CE2-CZ 4.11Å; Y848-F868 HydrophobicContact CG-CZ 4.48Å; Y848-M946 HydrophobicContact CD1-CE 3.66Å; Y848-M946 HydrophobicContact CD1-SD 3.94Å; Y848-M946 HydrophobicContact CE1-CE 3.31Å; Y848-M946 HydrophobicContact CE1-SD 4Å |
| 849 | Q | 96 | Very high | 93.2 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -50.9 | -167.2 | -66.2 | 164.7 | 2.9 | 0 | 0 | 113.5 | E846 E852 I853 R890 L930 V939 | E846-Q849 VanDerWaalsContact CA-NE2 3.33Å; E846-Q849 PolarHBondContact O-N 3.1Å; Q849-E852 PolarHBondContact O-N 3.2Å; Q849-I853 WeakPolarHBondContact O-CG1 3.35Å; Q849-I853 PolarHBondContact O-N 3.41Å; Q849-I853 VanDerWaalsContact O-N 3.11Å; Q849-R890 VanDerWaalsContact OE1-CZ 3.27Å; Q849-L930 HydrophobicContact CB-CD1 3.82Å; Q849-V939 VanDerWaalsContact CD-CG1 3.4Å; Q849-V939 HydrophobicContact CG-CG1 4.02Å |
| 850 | L | 98 | Very high | 93.5 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -47 | -179.2 | 178.8 | 65 | 0 | 0 | 0 | 111.9 | V810 Y848 E852 I853 L854 Y892 F923 A926 L927 L930 | V810-L850 HydrophobicContact CG1-CD2 3.91Å; V810-L850 HydrophobicContact CG2-CD2 4.5Å; Y848-L850 PolarHBondContact O-N 3.24Å; L850-E852 VanDerWaalsContact C-N 3.3Å; L850-E852 PolarHBondContact O-N 2.91Å; L850-I853 PolarHBondContact O-N 3.49Å; L850-L854 HydrophobicContact CD1-CD1 4.29Å; L850-L854 HydrophobicContact CD1-CG 4.3Å; L850-L854 HydrophobicContact CG-CD1 3.99Å; L850-L854 HydrophobicContact CG-CG 4.46Å; L850-L854 VanDerWaalsContact O-CG 3.29Å; L850-L854 WeakPolarHBondContact O-CG 3.15Å; L850-L854 PolarHBondContact O-N 2.93Å; L850-Y892 HydrophobicContact CB-CE2 3.93Å; L850-Y892 HydrophobicContact CD2-CD2 3.93Å; L850-Y892 HydrophobicContact CD2-CE2 3.77Å; L850-Y892 HydrophobicContact CG-CE2 4.45Å; L850-F923 HydrophobicContact CD2-CE2 3.92Å; L850-F923 HydrophobicContact CD2-CZ 4.13Å; L850-A926 HydrophobicContact CD1-CB 3.72Å; L850-L927 HydrophobicContact CD1-CD2 4.26Å; L850-L927 HydrophobicContact CD2-CD2 4.31Å; L850-L930 HydrophobicContact CB-CD2 4.48Å |
| 851 | P | 98.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56 | -37.9 | 171.9 | -29.6 | 36.5 | 0 | 0 | 0 | 114.8 | A825 Y848 L854 D855 F861 L863 F868 Y892 | A825-P851 HydrophobicContact CB-CG 4.16Å; Y848-P851 WeakPolarHBondContact O-CD 3.42Å; P851-L854 PolarHBondContact O-N 3.39Å; P851-D855 PolarHBondContact O-N 3.22Å; P851-D855 VanDerWaalsContact O-N 3.07Å; P851-F861 HydrophobicContact CB-CE1 4.08Å; P851-F861 HydrophobicContact CB-CZ 4.05Å; P851-F861 VanDerWaalsContact O-CE1 3.23Å; P851-F861 WeakPolarHBondContact O-CE1 3.25Å; P851-L863 HydrophobicContact CB-CD1 3.57Å; P851-F868 HydrophobicContact CB-CZ 4.28Å; P851-F868 HydrophobicContact CG-CE1 4.11Å; P851-F868 HydrophobicContact CG-CZ 4.12Å; P851-Y892 HydrophobicContact CG-CD1 4.44Å; P851-Y892 HydrophobicContact CG-CE1 3.92Å |
| 852 | E | 97.3 | Very high | 94.7 | Very high | 32 Ų | 32 | 37.9 Ų | 37.9 | 15% | 0.15 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -51.8 | 175.8 | -177.5 | -171.6 | -117 | 0 | 0 | 111 | Y848 Q849 L850 L854 D855 E856 L863 R933 R942 M946 | Y848-E852 HydrophobicContact CD1-CB 3.99Å; Y848-E852 HydrophobicContact CE1-CB 4.01Å; Y848-E852 HydrophobicContact CE1-CG 4.4Å; Y848-E852 WeakPolarHBondContact O-CB 3.44Å; Y848-E852 PolarHBondContact O-N 2.91Å; Q849-E852 PolarHBondContact O-N 3.2Å; L850-E852 VanDerWaalsContact C-N 3.3Å; L850-E852 PolarHBondContact O-N 2.91Å; E852-L854 VanDerWaalsContact C-N 3.27Å; E852-L854 PolarHBondContact O-N 3.17Å; E852-D855 PolarHBondContact O-N 2.9Å; E852-D855 VanDerWaalsContact O-N 3.13Å; E852-E856 PolarHBondContact O-N 2.76Å; E852-E856 VanDerWaalsContact O-N 3.14Å; E852-L863 HydrophobicContact CB-CD2 4.45Å; E852-R933 IonicContact OE2-NH1 3.07Å; E852-R933 PolarHBondContact OE2-NH1 3.42Å; E852-R942 IonicContact OE2-NH1 2.9Å; E852-M946 WeakPolarHBondContact OE1-CE 3.34Å |
| 853 | I | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 178.5 | -65.1 | 163.5 | 0 | 0 | 0 | 110.7 | Q849 L850 D855 E856 I857 A926 C929 L930 | Q849-I853 WeakPolarHBondContact O-CG1 3.35Å; Q849-I853 PolarHBondContact O-N 3.41Å; Q849-I853 VanDerWaalsContact O-N 3.11Å; L850-I853 PolarHBondContact O-N 3.49Å; I853-D855 VanDerWaalsContact C-N 3.33Å; I853-D855 PolarHBondContact O-N 2.95Å; I853-E856 PolarHBondContact O-N 2.93Å; I853-I857 HydrophobicContact CG2-CD1 4.3Å; I853-I857 WeakPolarHBondContact O-CG1 3.45Å; I853-I857 PolarHBondContact O-N 3.2Å; I853-A926 HydrophobicContact CB-CB 4.46Å; I853-A926 HydrophobicContact CG2-CB 3.7Å; I853-C929 HydrophobicContact CG2-CB 3.83Å; I853-L930 HydrophobicContact CD1-CB 3.75Å; I853-L930 HydrophobicContact CD1-CD1 4.07Å |
| 854 | L | 98.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -37.9 | 178.8 | -70.2 | 167 | 0 | 0 | 0 | 112.3 | L850 P851 E852 E856 S858 F861 M894 M919 F923 A926 | L850-L854 HydrophobicContact CD1-CD1 4.29Å; L850-L854 HydrophobicContact CD1-CG 4.3Å; L850-L854 HydrophobicContact CG-CD1 3.99Å; L850-L854 HydrophobicContact CG-CG 4.46Å; L850-L854 VanDerWaalsContact O-CG 3.29Å; L850-L854 WeakPolarHBondContact O-CG 3.15Å; L850-L854 PolarHBondContact O-N 2.93Å; P851-L854 PolarHBondContact O-N 3.39Å; E852-L854 VanDerWaalsContact C-N 3.27Å; E852-L854 PolarHBondContact O-N 3.17Å; L854-E856 VanDerWaalsContact C-N 3.32Å; L854-S858 WeakPolarHBondContact O-CA 3.39Å; L854-S858 WeakPolarHBondContact O-CB 3.49Å; L854-S858 PolarHBondContact O-N 3.26Å; L854-F861 HydrophobicContact CB-CB 4.26Å; L854-F861 HydrophobicContact CB-CD1 3.69Å; L854-F861 HydrophobicContact CB-CD2 3.86Å; L854-F861 HydrophobicContact CB-CE1 3.9Å; L854-F861 HydrophobicContact CB-CE2 4.06Å; L854-F861 HydrophobicContact CB-CG 3.67Å; L854-F861 HydrophobicContact CB-CZ 4.07Å; L854-F861 HydrophobicContact CD1-CD2 4.19Å; L854-F861 HydrophobicContact CD1-CE2 3.77Å; L854-F861 HydrophobicContact CD1-CZ 4.04Å; L854-M894 HydrophobicContact CD1-SD 4.38Å; L854-M919 HydrophobicContact CD2-CE 3.55Å; L854-F923 HydrophobicContact CD1-CD2 4.37Å; L854-F923 HydrophobicContact CD2-CD2 4.4Å; L854-A926 HydrophobicContact CD2-CB 3.42Å; L854-A926 VanDerWaalsContact CD2-CB 3.42Å; L854-A926 HydrophobicContact CG-CB 3.87Å |
| 855 | D | 97.6 | Very high | 96 | Very high | 39 Ų | 39 | 32.6 Ų | 32.6 | 21% | 0.209 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.9 | -32.3 | 176.2 | -162 | 78.6 | 0 | 0 | 0 | 112.8 | P851 E852 I853 F861 H862 L863 R903 | P851-D855 PolarHBondContact O-N 3.22Å; P851-D855 VanDerWaalsContact O-N 3.07Å; E852-D855 PolarHBondContact O-N 2.9Å; E852-D855 VanDerWaalsContact O-N 3.13Å; I853-D855 VanDerWaalsContact C-N 3.33Å; I853-D855 PolarHBondContact O-N 2.95Å; D855-F861 HydrophobicContact CB-CD1 4.04Å; D855-H862 VanDerWaalsContact OD1-CA 3.29Å; D855-H862 WeakPolarHBondContact OD1-CA 3.45Å; D855-L863 HydrophobicContact CB-CB 3.74Å; D855-L863 HydrophobicContact CB-CD2 4.29Å; D855-L863 WeakPolarHBondContact OD1-CB 3.43Å; D855-L863 PolarHBondContact OD1-N 2.93Å; D855-R903 IonicContact OD1-CZ 2.96Å; D855-R903 IonicContact OD1-NH1 3.44Å; D855-R903 PolarHBondContact OD1-NH1 2.92Å; D855-R903 IonicContact OD1-NH2 2.63Å; D855-R903 IonicContact OD2-NH1 3.44Å; D855-R903 PolarHBondContact OD2-NH1 3.45Å; D855-R903 IonicContact OD2-NH2 3.87Å; D855-R903 PolarHBondContact OD2-NH2 3.43Å |
| 856 | E | 96.8 | Very high | 96.2 | Very high | 96 Ų | 96 | 31 Ų | 31 | 45% | 0.449 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -71.2 | -42.2 | 176.4 | -68.3 | 175.9 | 179 | 0 | 0 | 112.1 | E852 I853 L854 R933 R942 | E852-E856 PolarHBondContact O-N 2.76Å; E852-E856 VanDerWaalsContact O-N 3.14Å; I853-E856 PolarHBondContact O-N 2.93Å; L854-E856 VanDerWaalsContact C-N 3.32Å; E856-R933 IonicContact OE1-NH1 2.87Å; E856-R933 IonicContact OE1-NH2 2.9Å; E856-R933 IonicContact OE2-CZ 3.43Å; E856-R933 IonicContact OE2-NH1 3.73Å; E856-R933 IonicContact OE2-NH2 3.95Å; E856-R933 PolarHBondContact OE2-NH2 2.92Å; E856-R942 IonicContact OE1-CZ 3.19Å; E856-R942 IonicContact OE1-NH1 3.5Å; E856-R942 PolarHBondContact OE1-NH1 2.65Å |
| 857 | I | 96.6 | Very high | 96.2 | Very high | 53 Ų | 53 | 31.5 Ų | 31.5 | 27% | 0.272 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -102.1 | -19.2 | -169.7 | 76.6 | 175.4 | 0 | 0 | 0 | 114.8 | I853 D925 A926 | I853-I857 HydrophobicContact CG2-CD1 4.3Å; I853-I857 WeakPolarHBondContact O-CG1 3.45Å; I853-I857 PolarHBondContact O-N 3.2Å; I857-D925 HydrophobicContact CD1-CB 3.86Å; I857-A926 HydrophobicContact CD1-CB 3.82Å |
| 858 | S | 97 | Very high | 96.3 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | trans | -111.4 | 112.8 | -178.1 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | L854 G860 F861 M919 | L854-S858 WeakPolarHBondContact O-CA 3.39Å; L854-S858 WeakPolarHBondContact O-CB 3.49Å; L854-S858 PolarHBondContact O-N 3.26Å; S858-G860 PolarHBondContact O-N 3.03Å; S858-G860 VanDerWaalsContact O-N 3.08Å; S858-G860 PolarHBondContact OG-N 3.33Å; S858-F861 PolarHBondContact O-N 3.42Å; S858-F861 VanDerWaalsContact O-N 3.08Å; S858-M919 PolarHBondContact OG-SD 3.42Å | ||
| 859 | P | 93.9 | Very high | 96 | Very high | 38 Ų | 38 | 32.9 Ų | 32.9 | 25% | 0.247 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -19.6 | 176.3 | 24.2 | -32.9 | 0 | 0 | 0 | 113.2 | P905 Y906 | P859-P905 HydrophobicContact CB-CG 3.67Å; P859-Y906 HydrophobicContact CB-CD2 4.45Å; P859-Y906 HydrophobicContact CB-CE2 3.95Å; P859-Y906 HydrophobicContact CG-CE2 3.59Å |
| 860 | G | 94.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -10.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | N822 I823 S858 | N822-G860 WeakPolarHBondContact CB-O 3.42Å; I823-G860 PolarHBondContact N-O 3.45Å; S858-G860 PolarHBondContact O-N 3.03Å; S858-G860 VanDerWaalsContact O-N 3.08Å; S858-G860 PolarHBondContact OG-N 3.33Å |
| 861 | F | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -91.4 | 144.9 | -180 | -165.4 | -90.1 | 0 | 0 | 0 | 111.3 | I823 A825 P851 L854 D855 S858 M894 M919 | I823-F861 HydrophobicContact CB-CD2 4.33Å; I823-F861 HydrophobicContact CG2-CD2 4.09Å; I823-F861 CarbonylContact O-C 3.48Å; I823-F861 VanDerWaalsContact O-CA 3.29Å; I823-F861 WeakPolarHBondContact O-CA 2.77Å; A825-F861 HydrophobicContact CB-CE2 4.31Å; A825-F861 HydrophobicContact CB-CZ 3.98Å; P851-F861 HydrophobicContact CB-CE1 4.08Å; P851-F861 HydrophobicContact CB-CZ 4.05Å; P851-F861 VanDerWaalsContact O-CE1 3.23Å; P851-F861 WeakPolarHBondContact O-CE1 3.25Å; L854-F861 HydrophobicContact CB-CB 4.26Å; L854-F861 HydrophobicContact CB-CD1 3.69Å; L854-F861 HydrophobicContact CB-CD2 3.86Å; L854-F861 HydrophobicContact CB-CE1 3.9Å; L854-F861 HydrophobicContact CB-CE2 4.06Å; L854-F861 HydrophobicContact CB-CG 3.67Å; L854-F861 HydrophobicContact CB-CZ 4.07Å; L854-F861 HydrophobicContact CD1-CD2 4.19Å; L854-F861 HydrophobicContact CD1-CE2 3.77Å; L854-F861 HydrophobicContact CD1-CZ 4.04Å; D855-F861 HydrophobicContact CB-CD1 4.04Å; S858-F861 PolarHBondContact O-N 3.42Å; S858-F861 VanDerWaalsContact O-N 3.08Å; F861-M894 HydrophobicContact CE2-CG 4.47Å; F861-M894 HydrophobicContact CE2-SD 4.3Å; F861-M919 HydrophobicContact CB-SD 4.45Å |
| 862 | H | 97.2 | Very high | 94.7 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 12% | 0.116 | 20% | 0.196 | C | C | . | . | trans | -134.8 | 103.6 | 178.3 | -162.3 | -5.9 | 0 | 0 | 0 | 113.3 | N822 I823 D855 K864 Y865 R903 | N822-H862 HydrophobicContact CB-CB 3.99Å; N822-H862 PolarHBondContact ND2-CD2 3.34Å; I823-H862 PolarHBondContact O-N 3.45Å; D855-H862 VanDerWaalsContact OD1-CA 3.29Å; D855-H862 WeakPolarHBondContact OD1-CA 3.45Å; H862-K864 VanDerWaalsContact C-N 3.33Å; H862-K864 WeakPolarHBondContact CE1-CB 3.38Å; H862-K864 WeakPolarHBondContact ND1-CB 3.17Å; H862-K864 PolarHBondContact ND1-N 3.01Å; H862-K864 PolarHBondContact O-N 2.88Å; H862-Y865 HydrophobicContact CB-CD2 4.17Å; H862-Y865 HydrophobicContact CB-CG 4.47Å; H862-Y865 AromaticContact CD2-CE2 3.93Å; H862-Y865 PolarHBondContact O-N 3.43Å; H862-R903 WeakPolarHBondContact CD2-CD 3.46Å; H862-R903 PolarHBondContact CE1-NH1 3.21Å; H862-R903 VanDerWaalsContact CG-CD 3.4Å; H862-R903 PolarHBondContact ND1-NH1 3.36Å | ||
| 863 | L | 96.2 | Very high | 94 | Very high | 25 Ų | 25 | 40.9 Ų | 40.9 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -58.4 | -38.7 | 178.9 | -168.5 | 53.5 | 0 | 0 | 0 | 113.5 | Y848 P851 E852 D855 Y865 C866 | Y848-L863 HydrophobicContact CE1-CD1 4.27Å; Y848-L863 HydrophobicContact CE1-CD2 3.8Å; Y848-L863 HydrophobicContact CE1-CG 4.42Å; Y848-L863 HydrophobicContact CE2-CD1 3.94Å; Y848-L863 HydrophobicContact CE2-CG 4.3Å; Y848-L863 WeakPolarHBondContact OH-CD2 3.48Å; Y848-L863 WeakPolarHBondContact OH-CG 3.31Å; P851-L863 HydrophobicContact CB-CD1 3.57Å; E852-L863 HydrophobicContact CB-CD2 4.45Å; D855-L863 HydrophobicContact CB-CB 3.74Å; D855-L863 HydrophobicContact CB-CD2 4.29Å; D855-L863 WeakPolarHBondContact OD1-CB 3.43Å; D855-L863 PolarHBondContact OD1-N 2.93Å; L863-Y865 PolarHBondContact O-N 3.02Å; L863-Y865 VanDerWaalsContact O-N 3.1Å; L863-C866 HydrophobicContact CD1-CB 4.44Å; L863-C866 WeakPolarHBondContact O-CB 3.39Å; L863-C866 PolarHBondContact O-N 3.17Å |
| 864 | K | 93.5 | Very high | 93.4 | Very high | 164 Ų | 164 | 44.1 Ų | 44.1 | 71% | 0.713 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -55.3 | -28.5 | 175.4 | -172.2 | -176.7 | 173.6 | -178.2 | 0 | 113.2 | H862 | H862-K864 VanDerWaalsContact C-N 3.33Å; H862-K864 WeakPolarHBondContact CE1-CB 3.38Å; H862-K864 WeakPolarHBondContact ND1-CB 3.17Å; H862-K864 PolarHBondContact ND1-N 3.01Å; H862-K864 PolarHBondContact O-N 2.88Å |
| 865 | Y | 93.6 | Very high | 92.9 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 21% | 0.208 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -89.8 | -9.5 | 179.8 | -69.5 | -13.2 | 0 | 0 | 0 | 113.8 | K820 K821 N822 F824 H862 L863 D902 | K820-Y865 HydrophobicContact CD-CG 4.44Å; K820-Y865 PolarHBondContact NZ-O 2.94Å; K820-Y865 VanDerWaalsContact NZ-O 3.07Å; K821-Y865 WeakPolarHBondContact O-CD2 3.46Å; N822-Y865 WeakPolarHBondContact ND2-CE2 3.26Å; F824-Y865 HydrophobicContact CD1-CD2 4.24Å; F824-Y865 WeakPolarHBondContact CD2-O 3.12Å; H862-Y865 HydrophobicContact CB-CD2 4.17Å; H862-Y865 HydrophobicContact CB-CG 4.47Å; H862-Y865 AromaticContact CD2-CE2 3.93Å; H862-Y865 PolarHBondContact O-N 3.43Å; L863-Y865 PolarHBondContact O-N 3.02Å; L863-Y865 VanDerWaalsContact O-N 3.1Å; Y865-D902 PolarHBondContact OH-OD2 3.41Å |
| 866 | C | 95.8 | Very high | 92.5 | Very high | 17 Ų | 17 | 44.1 Ų | 44.1 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | trans | -64.7 | 151.6 | 172.8 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | A825 L863 F868 | A825-C866 PolarHBondContact N-SG 3.08Å; A825-C866 WeakPolarHBondContact O-CA 3.31Å; A825-C866 WeakPolarHBondContact O-CB 3.3Å; L863-C866 HydrophobicContact CD1-CB 4.44Å; L863-C866 WeakPolarHBondContact O-CB 3.39Å; L863-C866 PolarHBondContact O-N 3.17Å; C866-F868 HydrophobicContact CB-CE2 3.99Å; C866-F868 HydrophobicContact CB-CZ 3.9Å | ||
| 867 | S | 94 | Very high | 92.4 | Very high | 41 Ų | 41 | 39.8 Ų | 39.8 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | B | Isolated β-bridge | trans | -141.5 | 133.8 | 175.8 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | A825 Y826 G827 | A825-S867 PolarHBondContact O-N 3.46Å; Y826-S867 VanDerWaalsContact CA-O 3.25Å; Y826-S867 WeakPolarHBondContact CA-O 3.44Å; G827-S867 PolarHBondContact N-O 3.26Å; G827-S867 VanDerWaalsContact N-O 3.09Å |
| 868 | F | 94.7 | Very high | 92.4 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | trans | -111.1 | 12.1 | -177.4 | -52.7 | -81.3 | 0 | 0 | 0 | 112.7 | G827 N829 F847 Y848 P851 C866 | G827-F868 CarbonylContact O-C 3.33Å; G827-F868 VanDerWaalsContact O-CA 3.24Å; G827-F868 WeakPolarHBondContact O-CA 3.38Å; N829-F868 HydrophobicContact CB-CB 3.67Å; N829-F868 WeakPolarHBondContact CB-O 3.21Å; N829-F868 PolarHBondContact N-O 3.11Å; F847-F868 HydrophobicContact CB-CD1 4.31Å; F847-F868 HydrophobicContact CD2-CB 4.18Å; F847-F868 AromaticContact CD2-CD1 3.62Å; F847-F868 HydrophobicContact CD2-CD1 3.62Å; F847-F868 HydrophobicContact CD2-CE1 4.15Å; F847-F868 AromaticContact CD2-CG 3.86Å; F847-F868 HydrophobicContact CD2-CG 3.86Å; F847-F868 HydrophobicContact CE2-CB 4.36Å; F847-F868 HydrophobicContact CE2-CD1 4.44Å; F847-F868 HydrophobicContact CE2-CG 4.25Å; F847-F868 HydrophobicContact CG-CD1 4.36Å; F847-F868 WeakPolarHBondContact O-CE1 3.5Å; Y848-F868 HydrophobicContact CD2-CD2 4.25Å; Y848-F868 HydrophobicContact CD2-CE1 4.49Å; Y848-F868 AromaticContact CD2-CE2 3.45Å; Y848-F868 HydrophobicContact CD2-CE2 3.45Å; Y848-F868 VanDerWaalsContact CD2-CE2 3.45Å; Y848-F868 AromaticContact CD2-CZ 3.59Å; Y848-F868 HydrophobicContact CD2-CZ 3.59Å; Y848-F868 AromaticContact CE2-CE2 3.7Å; Y848-F868 HydrophobicContact CE2-CE2 3.7Å; Y848-F868 HydrophobicContact CE2-CZ 4.11Å; Y848-F868 HydrophobicContact CG-CZ 4.48Å; P851-F868 HydrophobicContact CB-CZ 4.28Å; P851-F868 HydrophobicContact CG-CE1 4.11Å; P851-F868 HydrophobicContact CG-CZ 4.12Å; C866-F868 HydrophobicContact CB-CE2 3.99Å; C866-F868 HydrophobicContact CB-CZ 3.9Å | ||
| 869 | D | 89.8 | Confident | 92.4 | Very high | 50 Ų | 50 | 37.6 Ų | 37.6 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | trans | -73.3 | 139.4 | 177.7 | -179.5 | 17.9 | 0 | 0 | 0 | 111.1 | K871 R879 | D869-K871 WeakPolarHBondContact OD2-CE 3.43Å; D869-K871 WeakPolarHBondContact OD2-CG 3.47Å; D869-K871 IonicContact OD2-NZ 3.68Å; D869-R879 PolarHBondContact O-NH2 3.23Å | ||
| 870 | I | 91 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -112.8 | 99.9 | 177.2 | -51.1 | 147.4 | 0 | 0 | 0 | 107.2 | N828 N829 L832 W834 V880 W883 | N828-I870 HydrophobicContact CB-CD1 3.97Å; N828-I870 HydrophobicContact CB-CG1 4.03Å; N829-I870 WeakPolarHBondContact O-CD1 3.44Å; L832-I870 PolarHBondContact O-N 3.37Å; W834-I870 WeakPolarHBondContact CB-O 3.47Å; W834-I870 PolarHBondContact N-O 2.98Å; I870-V880 HydrophobicContact CG2-CG1 3.95Å; I870-V880 HydrophobicContact CG2-CG2 4.04Å; I870-W883 HydrophobicContact CD1-CE3 4.21Å; I870-W883 HydrophobicContact CD1-CH2 3.49Å; I870-W883 VanDerWaalsContact CD1-CH2 3.49Å; I870-W883 HydrophobicContact CD1-CZ2 4.35Å; I870-W883 HydrophobicContact CD1-CZ3 3.41Å; I870-W883 VanDerWaalsContact CD1-CZ3 3.41Å; I870-W883 HydrophobicContact CG1-CZ3 4.27Å |
| 871 | K | 87.7 | Confident | 92.5 | Very high | 70 Ų | 70 | 35.8 Ų | 35.8 | 30% | 0.304 | 17% | 0.172 | S | C | . | . | trans | -90.1 | 147.4 | 179.2 | -59.6 | -171.3 | 176.2 | -168.4 | 0 | 111.5 | W834 D869 N873 K874 | W834-K871 VanDerWaalsContact CD1-C 3.48Å; D869-K871 WeakPolarHBondContact OD2-CE 3.43Å; D869-K871 WeakPolarHBondContact OD2-CG 3.47Å; D869-K871 IonicContact OD2-NZ 3.68Å; K871-N873 VanDerWaalsContact C-N 3.29Å; K871-N873 WeakPolarHBondContact CB-OD1 3.44Å; K871-N873 PolarHBondContact O-N 3.4Å; K871-K874 HydrophobicContact CB-CG 4.23Å; K871-K874 WeakPolarHBondContact O-CA 3.25Å; K871-K874 WeakPolarHBondContact O-CB 3.4Å; K871-K874 PolarHBondContact O-N 3.3Å | ||
| 872 | K | 86.5 | Confident | 92.3 | Very high | 101 Ų | 101 | 36 Ų | 36 | 44% | 0.439 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -54.2 | -39.5 | 179.8 | -173.6 | 169.9 | -175.7 | 168.2 | 0 | 113.6 | E337 W834 K874 E875 | E337-K872 IonicContact OE2-NZ 3.64Å; E337-K872 PolarHBondContact OE2-NZ 3.14Å; W834-K872 VanDerWaalsContact CD1-N 3.33Å; W834-K872 HydrophobicContact CD2-CB 3.74Å; W834-K872 HydrophobicContact CD2-CD 4.49Å; W834-K872 HydrophobicContact CD2-CG 4.08Å; W834-K872 HydrophobicContact CE3-CB 4.17Å; W834-K872 HydrophobicContact CE3-CD 4.13Å; W834-K872 HydrophobicContact CE3-CG 4.22Å; W834-K872 HydrophobicContact CG-CB 3.94Å; W834-K872 HydrophobicContact CH2-CD 4.07Å; W834-K872 HydrophobicContact CH2-CG 4.13Å; W834-K872 HydrophobicContact CZ2-CB 4.45Å; W834-K872 HydrophobicContact CZ2-CD 4.43Å; W834-K872 HydrophobicContact CZ2-CG 3.97Å; W834-K872 HydrophobicContact CZ3-CD 3.92Å; W834-K872 HydrophobicContact CZ3-CG 4.26Å; K872-K874 PolarHBondContact O-N 3.03Å; K872-E875 VanDerWaalsContact O-CB 3.25Å; K872-E875 WeakPolarHBondContact O-CB 3.11Å; K872-E875 PolarHBondContact O-N 3.18Å |
| 873 | N | 82.1 | Confident | 92.3 | Very high | 48 Ų | 48 | 35.6 Ų | 35.6 | 26% | 0.257 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -75.1 | -3.4 | 177.8 | 70.5 | -31.8 | 0 | 0 | 0 | 114.4 | K871 | K871-N873 VanDerWaalsContact C-N 3.29Å; K871-N873 WeakPolarHBondContact CB-OD1 3.44Å; K871-N873 PolarHBondContact O-N 3.4Å |
| 874 | K | 86.4 | Confident | 92.1 | Very high | 68 Ų | 68 | 35.8 Ų | 35.8 | 30% | 0.296 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -103.5 | 4 | 174.9 | -58.5 | -57.8 | -178.9 | -177.5 | 0 | 112.7 | K871 K872 G876 S877 | K871-K874 HydrophobicContact CB-CG 4.23Å; K871-K874 WeakPolarHBondContact O-CA 3.25Å; K871-K874 WeakPolarHBondContact O-CB 3.4Å; K871-K874 PolarHBondContact O-N 3.3Å; K872-K874 PolarHBondContact O-N 3.03Å; K874-G876 PolarHBondContact O-N 3.32Å; K874-S877 VanDerWaalsContact O-CB 3.29Å; K874-S877 WeakPolarHBondContact O-CB 3.29Å; K874-S877 PolarHBondContact O-N 3.05Å; K874-S877 PolarHBondContact O-OG 3.35Å |
| 875 | E | 87.6 | Confident | 92 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 15% | 0.145 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -43.8 | 176.5 | -168 | 58.8 | -142.4 | 0 | 0 | 112.4 | V781 W834 K872 S877 R884 | V781-E875 HydrophobicContact CG2-CG 4.12Å; V781-E875 WeakPolarHBondContact CG2-O 3.22Å; W834-E875 PolarHBondContact NE1-OE2 3.48Å; K872-E875 VanDerWaalsContact O-CB 3.25Å; K872-E875 WeakPolarHBondContact O-CB 3.11Å; K872-E875 PolarHBondContact O-N 3.18Å; E875-S877 PolarHBondContact O-N 2.81Å; E875-S877 VanDerWaalsContact O-N 3.08Å; E875-R884 IonicContact OE1-CZ 3.66Å; E875-R884 IonicContact OE1-NH1 3.36Å; E875-R884 PolarHBondContact OE1-NH1 2.97Å; E875-R884 IonicContact OE2-CZ 2.62Å; E875-R884 IonicContact OE2-NH1 3.44Å; E875-R884 PolarHBondContact OE2-NH1 3.22Å; E875-R884 IonicContact OE2-NH2 2.72Å |
| 876 | G | 89 | Confident | 92 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 11% | 0.113 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 0.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | N777 R778 Q779 W780 K874 | N777-G876 CarbonylContact C-O 3.27Å; N777-G876 CarbonylContact O-C 3.52Å; N777-G876 VanDerWaalsContact O-O 3.13Å; R778-G876 CarbonylContact C-O 3.59Å; R778-G876 WeakPolarHBondContact CA-O 3.37Å; R778-G876 PolarHBondContact N-O 2.83Å; R778-G876 WeakPolarHBondContact O-CA 3.39Å; Q779-G876 PolarHBondContact N-O 3.29Å; W780-G876 WeakPolarHBondContact CB-O 3.31Å; W780-G876 PolarHBondContact N-O 3.27Å; K874-G876 PolarHBondContact O-N 3.32Å |
| 877 | S | 94.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -87.1 | 151.7 | -175.8 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | N777 K874 E875 R879 V880 A881 | N777-S877 VanDerWaalsContact O-CA 3.25Å; N777-S877 WeakPolarHBondContact O-CA 3.36Å; N777-S877 VanDerWaalsContact OD1-CA 3.28Å; N777-S877 WeakPolarHBondContact OD1-CA 3.38Å; N777-S877 WeakPolarHBondContact OD1-CB 3.49Å; K874-S877 VanDerWaalsContact O-CB 3.29Å; K874-S877 WeakPolarHBondContact O-CB 3.29Å; K874-S877 PolarHBondContact O-N 3.05Å; K874-S877 PolarHBondContact O-OG 3.35Å; E875-S877 PolarHBondContact O-N 2.81Å; E875-S877 VanDerWaalsContact O-N 3.08Å; S877-R879 PolarHBondContact O-N 3.37Å; S877-V880 PolarHBondContact O-N 3.16Å; S877-V880 WeakPolarHBondContact OG-CG2 3.29Å; S877-A881 WeakPolarHBondContact O-CB 3.2Å; S877-A881 PolarHBondContact O-N 3.31Å |
| 878 | A | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.4 | -49.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N777 W780 Y811 V880 A881 V882 | N777-A878 PolarHBondContact OD1-N 3.09Å; W780-A878 VanDerWaalsContact CD2-CA 3.43Å; W780-A878 HydrophobicContact CD2-CB 3.52Å; W780-A878 HydrophobicContact CE3-CB 3.94Å; W780-A878 HydrophobicContact CG-CB 4.02Å; W780-A878 HydrophobicContact CH2-CB 3.89Å; W780-A878 HydrophobicContact CZ2-CB 3.46Å; W780-A878 VanDerWaalsContact CZ2-CB 3.46Å; W780-A878 HydrophobicContact CZ3-CB 4.11Å; Y811-A878 HydrophobicContact CE1-CB 3.78Å; Y811-A878 VanDerWaalsContact OH-CB 3.24Å; Y811-A878 WeakPolarHBondContact OH-CB 3.25Å; A878-V880 VanDerWaalsContact C-N 3.26Å; A878-V880 PolarHBondContact O-N 2.93Å; A878-A881 PolarHBondContact O-N 3.13Å; A878-V882 VanDerWaalsContact O-CB 3.27Å; A878-V882 WeakPolarHBondContact O-CB 3.38Å; A878-V882 VanDerWaalsContact O-CG2 3.26Å; A878-V882 WeakPolarHBondContact O-CG2 3.24Å; A878-V882 PolarHBondContact O-N 3.22Å |
| 879 | R | 96.6 | Very high | 91.8 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.6 | -36.9 | -178.1 | 75.5 | 178.1 | -178.9 | 135.6 | 5.9 | 112.6 | Y826 G827 N828 D869 S877 W883 A891 | Y826-R879 VanDerWaalsContact C-NH1 3.3Å; Y826-R879 VanDerWaalsContact CB-NH1 3.32Å; G827-R879 VanDerWaalsContact N-NH1 3.18Å; G827-R879 PolarHBondContact O-NH1 2.83Å; N828-R879 PolarHBondContact ND2-O 2.98Å; D869-R879 PolarHBondContact O-NH2 3.23Å; S877-R879 PolarHBondContact O-N 3.37Å; R879-W883 WeakPolarHBondContact O-CB 3.32Å; R879-W883 PolarHBondContact O-N 2.85Å; R879-A891 WeakPolarHBondContact O-CB 3.33Å |
| 880 | V | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -81.4 | -47.1 | -175.7 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | I870 S877 A878 W883 R884 | I870-V880 HydrophobicContact CG2-CG1 3.95Å; I870-V880 HydrophobicContact CG2-CG2 4.04Å; S877-V880 PolarHBondContact O-N 3.16Å; S877-V880 WeakPolarHBondContact OG-CG2 3.29Å; A878-V880 VanDerWaalsContact C-N 3.26Å; A878-V880 PolarHBondContact O-N 2.93Å; V880-W883 HydrophobicContact CG1-CE3 4.43Å; V880-W883 PolarHBondContact O-N 3.07Å; V880-R884 PolarHBondContact O-N 3.33Å |
| 881 | A | 94.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.5 | -51.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W780 S877 A878 W883 R884 D885 | W780-A881 HydrophobicContact CB-CB 3.61Å; S877-A881 WeakPolarHBondContact O-CB 3.2Å; S877-A881 PolarHBondContact O-N 3.31Å; A878-A881 PolarHBondContact O-N 3.13Å; A881-W883 VanDerWaalsContact C-N 3.33Å; A881-W883 PolarHBondContact O-N 2.74Å; A881-R884 PolarHBondContact O-N 2.93Å; A881-D885 WeakPolarHBondContact O-CB 3.48Å; A881-D885 PolarHBondContact O-N 3.47Å |
| 882 | V | 95.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.6 | -44.3 | 178.4 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | W780 I798 Y811 A878 T886 L888 A891 | W780-V882 HydrophobicContact CE3-CG2 4.24Å; W780-V882 HydrophobicContact CZ3-CG2 3.96Å; I798-V882 HydrophobicContact CD1-CG2 3.81Å; I798-V882 HydrophobicContact CG2-CG1 4.11Å; Y811-V882 HydrophobicContact CD1-CB 4.19Å; Y811-V882 HydrophobicContact CD1-CG1 4.14Å; Y811-V882 HydrophobicContact CD1-CG2 4.14Å; Y811-V882 HydrophobicContact CE1-CG2 4.14Å; Y811-V882 HydrophobicContact CG-CG1 4.07Å; Y811-V882 HydrophobicContact CG-CG2 4.42Å; A878-V882 VanDerWaalsContact O-CB 3.27Å; A878-V882 WeakPolarHBondContact O-CB 3.38Å; A878-V882 VanDerWaalsContact O-CG2 3.26Å; A878-V882 WeakPolarHBondContact O-CG2 3.24Å; A878-V882 PolarHBondContact O-N 3.22Å; V882-T886 PolarHBondContact O-N 3.36Å; V882-T886 VanDerWaalsContact O-N 3.12Å; V882-T886 PolarHBondContact O-OG1 2.95Å; V882-L888 HydrophobicContact CG1-CD2 4.06Å; V882-A891 HydrophobicContact CG1-CB 4.36Å |
| 883 | W | 95.7 | Very high | 93.7 | Very high | 17 Ų | 17 | 20.8 Ų | 20.8 | 6% | 0.064 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.7 | -48.7 | 178.4 | 165.4 | 59.1 | 0 | 0 | 0 | 112.6 | N828 P830 D838 I870 R879 V880 A881 S887 A891 | N828-W883 HydrophobicContact CB-CB 4.45Å; N828-W883 HydrophobicContact CB-CD2 3.57Å; N828-W883 HydrophobicContact CB-CE3 3.74Å; N828-W883 HydrophobicContact CB-CG 3.88Å; N828-W883 HydrophobicContact CB-CZ3 4.3Å; N828-W883 WeakPolarHBondContact ND2-CB 3.23Å; P830-W883 HydrophobicContact CB-CZ2 4.25Å; P830-W883 HydrophobicContact CG-CZ2 3.91Å; D838-W883 HydrophobicContact CB-CH2 3.96Å; D838-W883 WeakPolarHBondContact OD2-CH2 3.36Å; I870-W883 HydrophobicContact CD1-CE3 4.21Å; I870-W883 HydrophobicContact CD1-CH2 3.49Å; I870-W883 VanDerWaalsContact CD1-CH2 3.49Å; I870-W883 HydrophobicContact CD1-CZ2 4.35Å; I870-W883 HydrophobicContact CD1-CZ3 3.41Å; I870-W883 VanDerWaalsContact CD1-CZ3 3.41Å; I870-W883 HydrophobicContact CG1-CZ3 4.27Å; R879-W883 WeakPolarHBondContact O-CB 3.32Å; R879-W883 PolarHBondContact O-N 2.85Å; V880-W883 HydrophobicContact CG1-CE3 4.43Å; V880-W883 PolarHBondContact O-N 3.07Å; A881-W883 VanDerWaalsContact C-N 3.33Å; A881-W883 PolarHBondContact O-N 2.74Å; W883-S887 WeakPolarHBondContact O-CA 3.28Å; W883-S887 PolarHBondContact O-N 3.38Å; W883-A891 HydrophobicContact CB-CB 4.07Å |
| 884 | R | 92.5 | Very high | 94.5 | Very high | 30 Ų | 30 | 18.5 Ų | 18.5 | 11% | 0.113 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.5 | -35.9 | 179.7 | -73.2 | -171.4 | 172.4 | 158.1 | 8.2 | 113.2 | S833 D838 E875 V880 A881 | S833-R884 PolarHBondContact OG-NH2 2.96Å; D838-R884 IonicContact OD1-NE 3.19Å; D838-R884 IonicContact OD2-CZ 2.79Å; D838-R884 IonicContact OD2-NE 2.67Å; D838-R884 PolarHBondContact OD2-NE 3.16Å; D838-R884 IonicContact OD2-NH2 3.03Å; D838-R884 PolarHBondContact OD2-NH2 3.3Å; E875-R884 IonicContact OE1-CZ 3.66Å; E875-R884 IonicContact OE1-NH1 3.36Å; E875-R884 PolarHBondContact OE1-NH1 2.97Å; E875-R884 IonicContact OE2-CZ 2.62Å; E875-R884 IonicContact OE2-NH1 3.44Å; E875-R884 PolarHBondContact OE2-NH1 3.22Å; E875-R884 IonicContact OE2-NH2 2.72Å; V880-R884 PolarHBondContact O-N 3.33Å; A881-R884 PolarHBondContact O-N 2.93Å |
| 885 | D | 92.2 | Very high | 95 | Very high | 19 Ų | 19 | 16.8 Ų | 16.8 | 10% | 0.102 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -77 | -22.9 | -175 | -76.1 | -24.3 | 0 | 0 | 0 | 113.8 | M343 K795 A881 | M343-D885 HydrophobicContact CB-CB 3.67Å; M343-D885 HydrophobicContact CE-CB 4Å; M343-D885 PolarHBondContact N-OD1 3.02Å; M343-D885 HydrophobicContact SD-CB 4.24Å; K795-D885 WeakPolarHBondContact CE-OD2 3.37Å; K795-D885 IonicContact NZ-OD2 3.83Å; K795-D885 PolarHBondContact NZ-OD2 3.38Å; A881-D885 WeakPolarHBondContact O-CB 3.48Å; A881-D885 PolarHBondContact O-N 3.47Å |
| 886 | T | 93 | Very high | 95.5 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -127.4 | -3.4 | -174.5 | 65.3 | 0 | 0 | 0 | 0 | 114.5 | M343 I798 H802 V882 L888 | M343-T886 HydrophobicContact CE-CG2 3.5Å; I798-T886 HydrophobicContact CG2-CG2 4.01Å; H802-T886 HydrophobicContact CB-CG2 3.87Å; H802-T886 PolarHBondContact CE1-O 3.4Å; H802-T886 VanDerWaalsContact CE1-O 3.23Å; V882-T886 PolarHBondContact O-N 3.36Å; V882-T886 VanDerWaalsContact O-N 3.12Å; V882-T886 PolarHBondContact O-OG1 2.95Å; T886-L888 PolarHBondContact O-N 3.4Å; T886-L888 WeakPolarHBondContact OG1-CB 3.49Å; T886-L888 PolarHBondContact OG1-N 3.14Å |
| 887 | S | 92.5 | Very high | 96 | Very high | 95 Ų | 95 | 14.8 Ų | 14.8 | 66% | 0.664 | 8% | 0.082 | S | C | * | . | trans | 59 | 19.8 | -168.7 | -54.8 | 0 | 0 | 0 | 0 | 114.1 | W883 C889 | W883-S887 WeakPolarHBondContact O-CA 3.28Å; W883-S887 PolarHBondContact O-N 3.38Å; S887-C889 PolarHBondContact O-N 3.24Å | ||
| 888 | L | 94.7 | Very high | 96 | Very high | 10 Ų | 10 | 14.6 Ų | 14.6 | 5% | 0.052 | 8% | 0.08 | C | C | . | . | trans | -71.4 | 99.7 | 178.7 | 176.4 | 51 | 0 | 0 | 0 | 111.6 | T807 P808 V882 T886 R890 A891 | T807-L888 HydrophobicContact CG2-CB 4.48Å; P808-L888 HydrophobicContact CB-CD2 4.07Å; P808-L888 WeakPolarHBondContact O-CD1 3.22Å; V882-L888 HydrophobicContact CG1-CD2 4.06Å; T886-L888 PolarHBondContact O-N 3.4Å; T886-L888 WeakPolarHBondContact OG1-CB 3.49Å; T886-L888 PolarHBondContact OG1-N 3.14Å; L888-R890 HydrophobicContact CD1-CB 4.32Å; L888-R890 PolarHBondContact O-N 3.44Å; L888-A891 HydrophobicContact CG-CB 4.45Å | ||
| 889 | C | 93.7 | Very high | 95.9 | Very high | 33 Ų | 33 | 14.6 Ų | 14.6 | 22% | 0.223 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -65.6 | -20.5 | -178.7 | -57.4 | 0 | 0 | 0 | 0 | 114.4 | E846 F847 S887 | E846-C889 HydrophobicContact CB-CB 3.68Å; E846-C889 HydrophobicContact CG-CB 4.29Å; F847-C889 WeakPolarHBondContact CA-O 3.38Å; S887-C889 PolarHBondContact O-N 3.24Å |
| 890 | R | 97.7 | Very high | 95.9 | Very high | 35 Ų | 35 | 13.9 Ų | 13.9 | 13% | 0.132 | 8% | 0.078 | C | C | . | . | trans | -103.8 | 51.3 | -179.2 | -63.3 | -172.4 | -164.4 | 83.6 | 1.7 | 111.8 | L809 V810 Y811 E846 Q849 L888 Y892 | L809-R890 WeakPolarHBondContact O-CB 3.34Å; V810-R890 WeakPolarHBondContact CA-O 3.32Å; V810-R890 HydrophobicContact CG2-CB 4.12Å; Y811-R890 PolarHBondContact N-O 2.96Å; E846-R890 HydrophobicContact CB-CG 4.19Å; Q849-R890 VanDerWaalsContact OE1-CZ 3.27Å; L888-R890 HydrophobicContact CD1-CB 4.32Å; L888-R890 PolarHBondContact O-N 3.44Å; R890-Y892 VanDerWaalsContact C-CE2 3.49Å; R890-Y892 HydrophobicContact CB-CE2 3.71Å; R890-Y892 HydrophobicContact CG-CE2 4.42Å; R890-Y892 WeakPolarHBondContact O-CD2 3.28Å; R890-Y892 WeakPolarHBondContact O-CE2 3.34Å | ||
| 891 | A | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y811 N828 R879 V882 W883 L888 | Y811-A891 HydrophobicContact CD1-CB 4.33Å; Y811-A891 CarbonylContact O-C 3.56Å; Y811-A891 WeakPolarHBondContact O-CA 3.47Å; N828-A891 PolarHBondContact ND2-O 2.92Å; R879-A891 WeakPolarHBondContact O-CB 3.33Å; V882-A891 HydrophobicContact CG1-CB 4.36Å; W883-A891 HydrophobicContact CB-CB 4.07Å; L888-A891 HydrophobicContact CG-CB 4.45Å |
| 892 | Y | 98.7 | Very high | 96 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 152.8 | -167.9 | -60 | -69.7 | 0 | 0 | 0 | 113.9 | V810 Y811 C812 D813 Y826 E846 F847 L850 P851 R890 | V810-Y892 HydrophobicContact CG1-CD2 4.11Å; V810-Y892 HydrophobicContact CG1-CE2 4.36Å; Y811-Y892 PolarHBondContact O-N 2.89Å; C812-Y892 WeakPolarHBondContact CA-O 3.47Å; D813-Y892 PolarHBondContact N-O 2.93Å; Y826-Y892 CarbonylContact O-C 3.54Å; Y826-Y892 VanDerWaalsContact O-CA 3.32Å; Y826-Y892 WeakPolarHBondContact O-CA 3.36Å; E846-Y892 PolarHBondContact O-OH 3.48Å; E846-Y892 VanDerWaalsContact O-OH 3.13Å; F847-Y892 VanDerWaalsContact C-OH 3.25Å; F847-Y892 WeakPolarHBondContact CA-OH 3.35Å; F847-Y892 WeakPolarHBondContact O-CE1 3.46Å; F847-Y892 PolarHBondContact O-OH 3.42Å; L850-Y892 HydrophobicContact CB-CE2 3.93Å; L850-Y892 HydrophobicContact CD2-CD2 3.93Å; L850-Y892 HydrophobicContact CD2-CE2 3.77Å; L850-Y892 HydrophobicContact CG-CE2 4.45Å; P851-Y892 HydrophobicContact CG-CD1 4.44Å; P851-Y892 HydrophobicContact CG-CE1 3.92Å; R890-Y892 VanDerWaalsContact C-CE2 3.49Å; R890-Y892 HydrophobicContact CB-CE2 3.71Å; R890-Y892 HydrophobicContact CG-CE2 4.42Å; R890-Y892 WeakPolarHBondContact O-CD2 3.28Å; R890-Y892 WeakPolarHBondContact O-CE2 3.34Å |
| 893 | T | 98.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 19 Ų | 19 | 4% | 0.037 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 113.9 | 158.1 | -73.3 | 0 | 0 | 0 | 0 | 107.2 | D813 H815 A825 Y826 E895 | D813-T893 CarbonylContact O-C 3.12Å; D813-T893 WeakPolarHBondContact O-CA 3.4Å; H815-T893 HydrophobicContact CB-CG2 4.5Å; H815-T893 VanDerWaalsContact CD2-CG2 3.47Å; H815-T893 WeakPolarHBondContact CD2-CG2 3.35Å; A825-T893 CarbonylContact C-O 3.44Å; A825-T893 WeakPolarHBondContact CA-O 3.28Å; Y826-T893 HydrophobicContact CD2-CG2 4.2Å; Y826-T893 PolarHBondContact N-O 3.47Å; Y826-T893 PolarHBondContact O-N 2.88Å; T893-E895 HydrophobicContact CG2-CG 3.92Å |
| 894 | M | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.3 | 177.7 | -173.7 | 170.6 | 78.8 | 0 | 0 | 110.1 | M727 D813 F814 H815 I823 F824 L854 F861 M919 F923 | M727-M894 HydrophobicContact CE-CE 4.27Å; M727-M894 HydrophobicContact SD-CE 3.79Å; D813-M894 PolarHBondContact O-N 3.41Å; F814-M894 CarbonylContact C-O 3.45Å; F814-M894 WeakPolarHBondContact CA-O 3.42Å; F814-M894 HydrophobicContact CD1-CB 4.07Å; F814-M894 HydrophobicContact CD1-CE 3.62Å; F814-M894 HydrophobicContact CD2-CE 4.43Å; F814-M894 HydrophobicContact CE1-CB 4.42Å; F814-M894 HydrophobicContact CE1-CE 3.26Å; F814-M894 HydrophobicContact CE1-SD 4.37Å; F814-M894 HydrophobicContact CE2-CE 4.14Å; F814-M894 HydrophobicContact CG-CE 4.19Å; F814-M894 HydrophobicContact CZ-CE 3.56Å; H815-M894 PolarHBondContact N-O 2.81Å; I823-M894 HydrophobicContact CG2-CG 4Å; I823-M894 HydrophobicContact CG2-SD 4.3Å; F824-M894 WeakPolarHBondContact O-CA 3.44Å; L854-M894 HydrophobicContact CD1-SD 4.38Å; F861-M894 HydrophobicContact CE2-CG 4.47Å; F861-M894 HydrophobicContact CE2-SD 4.3Å; M894-M919 HydrophobicContact CE-CG 4.42Å; M894-F923 HydrophobicContact CE-CD2 3.97Å; M894-F923 HydrophobicContact SD-CD2 3.97Å; M894-F923 HydrophobicContact SD-CE2 4.31Å |
| 895 | E | 98.5 | Very high | 95.9 | Very high | 31 Ų | 31 | 23.2 Ų | 23.2 | 15% | 0.145 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.1 | -176.7 | -40.4 | -159.4 | -176.5 | 0 | 0 | 112 | H815 H817 I823 F824 Y826 T893 | H815-E895 HydrophobicContact CB-CB 4.14Å; H815-E895 HydrophobicContact CB-CG 3.77Å; H815-E895 WeakPolarHBondContact O-CA 3.43Å; H817-E895 HydrophobicContact CB-CB 3.83Å; H817-E895 VanDerWaalsContact CB-OE2 3.25Å; H817-E895 WeakPolarHBondContact CB-OE2 3.28Å; H817-E895 IonicContact CD2-OE2 3.65Å; H817-E895 PolarHBondContact CD2-OE2 3.43Å; H817-E895 IonicContact CG-OE2 3.48Å; I823-E895 WeakPolarHBondContact CA-O 3.48Å; F824-E895 HydrophobicContact CE2-CB 4.41Å; F824-E895 HydrophobicContact CZ-CB 4.5Å; F824-E895 PolarHBondContact N-O 2.88Å; F824-E895 PolarHBondContact O-N 3.3Å; Y826-E895 HydrophobicContact CD2-CG 3.89Å; Y826-E895 WeakPolarHBondContact CD2-OE1 3.45Å; Y826-E895 VanDerWaalsContact CE2-CD 3.46Å; Y826-E895 HydrophobicContact CE2-CG 3.79Å; Y826-E895 WeakPolarHBondContact CE2-OE1 3.5Å; T893-E895 HydrophobicContact CG2-CG 3.92Å |
| 896 | A | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N723 M727 H815 G816 H817 I823 M911 L916 | N723-A896 HydrophobicContact CB-CB 4.29Å; N723-A896 PolarHBondContact ND2-O 3.16Å; M727-A896 HydrophobicContact CE-CB 3.75Å; M727-A896 HydrophobicContact SD-CB 3.86Å; H815-A896 PolarHBondContact O-N 3.38Å; G816-A896 CarbonylContact C-O 3.48Å; G816-A896 WeakPolarHBondContact CA-O 3.25Å; H817-A896 PolarHBondContact N-O 2.62Å; I823-A896 HydrophobicContact CD1-CB 4.08Å; I823-A896 HydrophobicContact CG1-CB 3.86Å; I823-A896 HydrophobicContact CG2-CB 4.35Å; A896-M911 HydrophobicContact CB-SD 4.31Å; A896-L916 HydrophobicContact CB-CD2 3.68Å |
| 897 | S | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 145.4 | 177.1 | -168.1 | 0 | 0 | 0 | 0 | 112.9 | L573 K820 K821 N822 A899 M911 | L573-S897 WeakPolarHBondContact CD1-OG 3.49Å; K820-S897 VanDerWaalsContact O-CB 3.26Å; K820-S897 WeakPolarHBondContact O-CB 3.36Å; K820-S897 PolarHBondContact O-OG 3Å; K821-S897 WeakPolarHBondContact CA-OG 3.27Å; N822-S897 VanDerWaalsContact O-CB 3.27Å; N822-S897 WeakPolarHBondContact O-CB 3.43Å; N822-S897 PolarHBondContact O-N 2.94Å; S897-A899 VanDerWaalsContact C-N 3.27Å; S897-A899 PolarHBondContact OG-N 3.07Å; S897-A899 VanDerWaalsContact OG-N 3.12Å; S897-M911 VanDerWaalsContact O-SD 3.4Å |
| 898 | Y | 95.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -75.9 | -15.7 | 165.8 | -73.1 | -78.7 | 0 | 0 | 0 | 113.7 | R597 Y649 H650 G720 E721 H817 | R597-Y898 PolarHBondContact NH1-O 2.74Å; R597-Y898 PolarHBondContact NH2-O 2.92Å; Y649-Y898 AromaticContact CD1-CD1 3.93Å; Y649-Y898 HydrophobicContact CD1-CD1 3.93Å; Y649-Y898 AromaticContact CD1-CE1 3.85Å; Y649-Y898 HydrophobicContact CD1-CE1 3.85Å; Y649-Y898 HydrophobicContact CD1-CG 4.49Å; Y649-Y898 AromaticContact CE1-CD1 3.51Å; Y649-Y898 HydrophobicContact CE1-CD1 3.51Å; Y649-Y898 AromaticContact CE1-CD2 3.93Å; Y649-Y898 HydrophobicContact CE1-CD2 3.93Å; Y649-Y898 AromaticContact CE1-CE1 3.58Å; Y649-Y898 HydrophobicContact CE1-CE1 3.58Å; Y649-Y898 HydrophobicContact CE1-CE2 4.03Å; Y649-Y898 AromaticContact CE1-CG 3.65Å; Y649-Y898 HydrophobicContact CE1-CG 3.65Å; Y649-Y898 AromaticContact CE1-CZ 3.82Å; H650-Y898 HydrophobicContact CB-CD1 3.65Å; H650-Y898 HydrophobicContact CB-CE1 4.05Å; H650-Y898 AromaticContact CD2-CD1 3.64Å; H650-Y898 AromaticContact CG-CD1 3.7Å; G720-Y898 PolarHBondContact O-OH 3.16Å; G720-Y898 VanDerWaalsContact O-OH 3.07Å; E721-Y898 WeakPolarHBondContact CA-OH 3.46Å; E721-Y898 WeakPolarHBondContact CG-OH 3.36Å; E721-Y898 PolarHBondContact N-OH 2.8Å; H817-Y898 VanDerWaalsContact C-CD2 3.48Å; H817-Y898 WeakPolarHBondContact O-CD2 3.25Å; H817-Y898 PolarHBondContact O-N 3.09Å |
| 899 | A | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -98.6 | -82.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L481 L573 M578 S897 Q910 M911 | L481-A899 HydrophobicContact CD2-CB 4.18Å; L573-A899 HydrophobicContact CB-CB 3.78Å; L573-A899 HydrophobicContact CD1-CB 3.77Å; L573-A899 HydrophobicContact CD2-CB 4.28Å; L573-A899 HydrophobicContact CG-CB 4.15Å; M578-A899 HydrophobicContact CB-CB 3.76Å; M578-A899 HydrophobicContact CG-CB 4.11Å; M578-A899 HydrophobicContact SD-CB 4.36Å; S897-A899 VanDerWaalsContact C-N 3.27Å; S897-A899 PolarHBondContact OG-N 3.07Å; S897-A899 VanDerWaalsContact OG-N 3.12Å; A899-Q910 CarbonylContact O-C 3.58Å; A899-Q910 VanDerWaalsContact O-CA 3.3Å; A899-Q910 WeakPolarHBondContact O-CA 3.5Å; A899-M911 PolarHBondContact O-N 2.95Å |
| 900 | G | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -178.1 | -156.9 | -164.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K821 N822 Y909 | K821-G900 WeakPolarHBondContact CA-O 3.44Å; K821-G900 VanDerWaalsContact CB-O 3.23Å; K821-G900 WeakPolarHBondContact CB-O 3.13Å; N822-G900 PolarHBondContact N-O 2.83Å; G900-Y909 CarbonylContact C-O 3.49Å; G900-Y909 WeakPolarHBondContact CA-O 3.26Å |
| 901 | F | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -115 | 147 | -172.9 | -51.7 | -87.3 | 0 | 0 | 0 | 112 | N822 Y906 G908 Y909 M911 D915 | N822-F901 HydrophobicContact CB-CD1 4.43Å; N822-F901 WeakPolarHBondContact OD1-CA 3.39Å; N822-F901 WeakPolarHBondContact OD1-CB 3.22Å; F901-Y906 WeakPolarHBondContact CB-O 3.26Å; F901-Y906 HydrophobicContact CD1-CD2 4.49Å; F901-Y906 VanDerWaalsContact CD2-CB 3.47Å; F901-Y906 HydrophobicContact CD2-CD2 4.31Å; F901-Y906 HydrophobicContact CD2-CG 4.33Å; F901-Y906 HydrophobicContact CE1-CD2 4.32Å; F901-Y906 HydrophobicContact CE2-CD2 4.11Å; F901-Y906 HydrophobicContact CE2-CG 4.44Å; F901-Y906 HydrophobicContact CG-CD2 4.49Å; F901-Y906 HydrophobicContact CZ-CD2 4.12Å; F901-G908 PolarHBondContact O-N 3.2Å; F901-Y909 PolarHBondContact N-O 3.25Å; F901-M911 HydrophobicContact CE1-CE 3.85Å; F901-M911 HydrophobicContact CE2-CB 4.1Å; F901-M911 HydrophobicContact CE2-CE 4.45Å; F901-M911 HydrophobicContact CE2-CG 4.14Å; F901-M911 HydrophobicContact CZ-CB 4.35Å; F901-M911 HydrophobicContact CZ-CE 3.81Å; F901-M911 HydrophobicContact CZ-CG 3.94Å; F901-D915 HydrophobicContact CE2-CB 4.28Å; F901-D915 HydrophobicContact CZ-CB 3.9Å |
| 902 | D | 95 | Very high | 96.3 | Very high | 43 Ų | 43 | 25.6 Ų | 25.6 | 23% | 0.23 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -124.6 | 18.6 | 172 | 58.3 | 14.6 | 0 | 0 | 0 | 113.2 | K821 N822 Y865 | K821-D902 HydrophobicContact CB-CB 4.33Å; K821-D902 WeakPolarHBondContact CB-OD2 3.34Å; K821-D902 HydrophobicContact CD-CB 3.58Å; K821-D902 WeakPolarHBondContact CD-OD2 3.43Å; N822-D902 PolarHBondContact ND2-OD1 2.92Å; N822-D902 PolarHBondContact OD1-N 3.29Å; N822-D902 VanDerWaalsContact OD1-N 3.09Å; N822-D902 PolarHBondContact OD1-OD1 3.38Å; Y865-D902 PolarHBondContact OH-OD2 3.41Å |
| 903 | R | 94 | Very high | 96.1 | Very high | 70 Ų | 70 | 26 Ų | 26 | 26% | 0.264 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -149.2 | 169.7 | 170.4 | 70.3 | 171.7 | -81.2 | -168.9 | -3.3 | 111.8 | D855 H862 E907 | D855-R903 IonicContact OD1-CZ 2.96Å; D855-R903 IonicContact OD1-NH1 3.44Å; D855-R903 PolarHBondContact OD1-NH1 2.92Å; D855-R903 IonicContact OD1-NH2 2.63Å; D855-R903 IonicContact OD2-NH1 3.44Å; D855-R903 PolarHBondContact OD2-NH1 3.45Å; D855-R903 IonicContact OD2-NH2 3.87Å; D855-R903 PolarHBondContact OD2-NH2 3.43Å; H862-R903 WeakPolarHBondContact CD2-CD 3.46Å; H862-R903 PolarHBondContact CE1-NH1 3.21Å; H862-R903 VanDerWaalsContact CG-CD 3.4Å; H862-R903 PolarHBondContact ND1-NH1 3.36Å; R903-E907 PolarHBondContact O-N 3.5Å |
| 904 | G | 92.5 | Very high | 95.8 | Very high | 40 Ų | 40 | 30.9 Ų | 30.9 | 41% | 0.412 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | 68.6 | -165.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y906 E907 | G904-Y906 PolarHBondContact O-N 2.88Å; G904-E907 WeakPolarHBondContact O-CB 3.49Å; G904-E907 PolarHBondContact O-N 2.95Å; G904-E907 VanDerWaalsContact O-N 3.1Å |
| 905 | P | 94.5 | Very high | 95.7 | Very high | 96 Ų | 96 | 31.1 Ų | 31.1 | 62% | 0.623 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -63.4 | -14.6 | -176.4 | 26.1 | -35.2 | 0 | 0 | 0 | 113.7 | P859 | P859-P905 HydrophobicContact CB-CG 3.67Š|
| 906 | Y | 94.6 | Very high | 95.6 | Very high | 34 Ų | 34 | 29.7 Ų | 29.7 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -102.4 | 5.7 | -178.8 | -48 | -30.7 | 0 | 0 | 0 | 113 | R478 P859 F901 G904 G908 Y909 | R478-Y906 VanDerWaalsContact CZ-CE1 3.5Å; R478-Y906 VanDerWaalsContact NH2-CZ 3.29Å; P859-Y906 HydrophobicContact CB-CD2 4.45Å; P859-Y906 HydrophobicContact CB-CE2 3.95Å; P859-Y906 HydrophobicContact CG-CE2 3.59Å; F901-Y906 WeakPolarHBondContact CB-O 3.26Å; F901-Y906 HydrophobicContact CD1-CD2 4.49Å; F901-Y906 VanDerWaalsContact CD2-CB 3.47Å; F901-Y906 HydrophobicContact CD2-CD2 4.31Å; F901-Y906 HydrophobicContact CD2-CG 4.33Å; F901-Y906 HydrophobicContact CE1-CD2 4.32Å; F901-Y906 HydrophobicContact CE2-CD2 4.11Å; F901-Y906 HydrophobicContact CE2-CG 4.44Å; F901-Y906 HydrophobicContact CG-CD2 4.49Å; F901-Y906 HydrophobicContact CZ-CD2 4.12Å; G904-Y906 PolarHBondContact O-N 2.88Å; Y906-G908 PolarHBondContact O-N 3.4Å; Y906-Y909 VanDerWaalsContact O-CB 3.3Å; Y906-Y909 WeakPolarHBondContact O-CB 3.48Å; Y906-Y909 WeakPolarHBondContact O-CD2 3.16Å; Y906-Y909 PolarHBondContact O-N 3.1Å |
| 907 | E | 96.1 | Very high | 95.5 | Very high | 115 Ų | 115 | 30.8 Ų | 30.8 | 54% | 0.537 | 16% | 0.164 | S | C | . | . | B | Isolated β-bridge | trans | -51.7 | 130.4 | -179.4 | -176.4 | 172.1 | 174.6 | 0 | 0 | 112.4 | R480 R903 G904 Y909 | R480-E907 PolarHBondContact NH1-O 2.72Å; R903-E907 PolarHBondContact O-N 3.5Å; G904-E907 WeakPolarHBondContact O-CB 3.49Å; G904-E907 PolarHBondContact O-N 2.95Å; G904-E907 VanDerWaalsContact O-N 3.1Å; E907-Y909 VanDerWaalsContact C-N 3.25Å; E907-Y909 WeakPolarHBondContact O-CD2 3.34Å; E907-Y909 PolarHBondContact O-N 3.25Å |
| 908 | G | 96.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 32.9 Ų | 32.9 | 25% | 0.247 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 1.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R480 L481 F901 Y906 | R480-G908 WeakPolarHBondContact CA-O 3.19Å; L481-G908 PolarHBondContact N-O 3.45Å; F901-G908 PolarHBondContact O-N 3.2Å; Y906-G908 PolarHBondContact O-N 3.4Å |
| 909 | Y | 97.5 | Very high | 95.5 | Very high | 68 Ų | 68 | 33 Ų | 33 | 27% | 0.267 | 18% | 0.175 | S | C | . | . | B | Isolated β-bridge | trans | -100.2 | 147.5 | 174.2 | -67.9 | -83.9 | 0 | 0 | 0 | 112.6 | R478 Q479 R480 G900 F901 Y906 E907 | R478-Y909 HydrophobicContact CB-CD1 3.8Å; R478-Y909 HydrophobicContact CB-CG 4.14Å; Q479-Y909 CarbonylContact O-C 3.57Å; Q479-Y909 WeakPolarHBondContact O-CA 3.24Å; R480-Y909 HydrophobicContact CG-CD1 4.33Å; R480-Y909 HydrophobicContact CG-CE1 4.06Å; R480-Y909 PolarHBondContact NE-OH 2.96Å; R480-Y909 PolarHBondContact NH2-OH 2.91Å; G900-Y909 CarbonylContact C-O 3.49Å; G900-Y909 WeakPolarHBondContact CA-O 3.26Å; F901-Y909 PolarHBondContact N-O 3.25Å; Y906-Y909 VanDerWaalsContact O-CB 3.3Å; Y906-Y909 WeakPolarHBondContact O-CB 3.48Å; Y906-Y909 WeakPolarHBondContact O-CD2 3.16Å; Y906-Y909 PolarHBondContact O-N 3.1Å; E907-Y909 VanDerWaalsContact C-N 3.25Å; E907-Y909 WeakPolarHBondContact O-CD2 3.34Å; E907-Y909 PolarHBondContact O-N 3.25Å |
| 910 | Q | 96.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 140.7 | 169.7 | -71 | -176.2 | 88.9 | 0 | 0 | 110.4 | Q479 R480 L481 Q579 R597 A899 | Q479-Q910 WeakPolarHBondContact O-CB 3.38Å; Q479-Q910 PolarHBondContact O-N 3.33Å; R480-Q910 PolarHBondContact O-NE2 3.31Å; L481-Q910 HydrophobicContact CD2-CG 3.52Å; L481-Q910 HydrophobicContact CG-CG 3.94Å; Q579-Q910 VanDerWaalsContact N-OE1 3.16Å; R597-Q910 VanDerWaalsContact CD-OE1 3.27Å; R597-Q910 HydrophobicContact CG-CB 4.37Å; A899-Q910 CarbonylContact O-C 3.58Å; A899-Q910 VanDerWaalsContact O-CA 3.3Å; A899-Q910 WeakPolarHBondContact O-CA 3.5Å |
| 911 | M | 95 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 137.8 | 177.6 | -166.1 | 176.1 | -60.9 | 0 | 0 | 109.8 | R597 Y651 I823 A896 S897 A899 F901 D915 L916 | R597-M911 PolarHBondContact NH2-O 3.29Å; Y651-M911 WeakPolarHBondContact CE2-O 3.34Å; Y651-M911 PolarHBondContact OH-O 2.97Å; I823-M911 HydrophobicContact CD1-CE 4.42Å; I823-M911 HydrophobicContact CG1-CE 4Å; A896-M911 HydrophobicContact CB-SD 4.31Å; S897-M911 VanDerWaalsContact O-SD 3.4Å; A899-M911 PolarHBondContact O-N 2.95Å; F901-M911 HydrophobicContact CE1-CE 3.85Å; F901-M911 HydrophobicContact CE2-CB 4.1Å; F901-M911 HydrophobicContact CE2-CE 4.45Å; F901-M911 HydrophobicContact CE2-CG 4.14Å; F901-M911 HydrophobicContact CZ-CB 4.35Å; F901-M911 HydrophobicContact CZ-CE 3.81Å; F901-M911 HydrophobicContact CZ-CG 3.94Å; M911-D915 HydrophobicContact CG-CB 3.83Å; M911-L916 HydrophobicContact CG-CD2 4.39Å; M911-L916 HydrophobicContact CG-CG 4.09Å; M911-L916 HydrophobicContact SD-CD1 4.38Å; M911-L916 HydrophobicContact SD-CD2 3.43Å; M911-L916 WeakPolarHBondContact SD-CD2 3.17Å; M911-L916 HydrophobicContact SD-CG 3.8Å |
| 912 | T | 94.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | trans | -110.3 | 169.2 | 177.4 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | R478 K914 D915 L916 | R478-T912 HydrophobicContact CB-CG2 4.38Å; R478-T912 HydrophobicContact CG-CG2 3.86Å; T912-K914 PolarHBondContact O-N 3.07Å; T912-K914 PolarHBondContact OG1-N 3.31Å; T912-D915 WeakPolarHBondContact CB-OD2 3.46Å; T912-D915 PolarHBondContact N-OD2 3.43Å; T912-D915 PolarHBondContact O-N 3.43Å; T912-D915 VanDerWaalsContact OG1-CG 3.31Å; T912-D915 PolarHBondContact OG1-N 3.2Å; T912-D915 PolarHBondContact OG1-OD2 3.14Å; T912-L916 PolarHBondContact O-N 3.24Å | ||
| 913 | T | 93.9 | Very high | 96 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -34.7 | 170.2 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | Y651 W726 D915 L916 I917 | Y651-T913 HydrophobicContact CD1-CG2 4.03Å; Y651-T913 HydrophobicContact CD2-CG2 3.87Å; Y651-T913 HydrophobicContact CG-CG2 3.61Å; W726-T913 HydrophobicContact CD2-CG2 3.65Å; W726-T913 HydrophobicContact CE3-CG2 3.92Å; W726-T913 HydrophobicContact CG-CG2 4.23Å; W726-T913 HydrophobicContact CH2-CG2 3.95Å; W726-T913 HydrophobicContact CZ2-CG2 3.68Å; W726-T913 HydrophobicContact CZ3-CG2 4.06Å; T913-D915 PolarHBondContact O-N 3.3Å; T913-L916 PolarHBondContact O-N 3.22Å; T913-I917 WeakPolarHBondContact O-CB 3.41Å; T913-I917 WeakPolarHBondContact O-CD1 3.22Å; T913-I917 WeakPolarHBondContact O-CG1 3.36Å; T913-I917 PolarHBondContact O-N 3.12Å |
| 914 | K | 93.4 | Very high | 96.2 | Very high | 109 Ų | 109 | 33 Ų | 33 | 47% | 0.474 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59 | -44.5 | 175 | -177.7 | 178.5 | 177.2 | 177 | 0 | 112.3 | T912 L916 I917 E918 | T912-K914 PolarHBondContact O-N 3.07Å; T912-K914 PolarHBondContact OG1-N 3.31Å; K914-L916 VanDerWaalsContact C-N 3.3Å; K914-L916 PolarHBondContact O-N 2.91Å; K914-I917 PolarHBondContact O-N 2.72Å; K914-E918 WeakPolarHBondContact O-CB 3.42Å; K914-E918 PolarHBondContact O-N 3.44Å |
| 915 | D | 95.7 | Very high | 96.5 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 176.9 | -63.7 | -60 | 0 | 0 | 0 | 112.4 | R478 F901 M911 T912 T913 M919 | R478-D915 IonicContact CZ-OD1 2.64Å; R478-D915 IonicContact NE-OD1 3.49Å; R478-D915 PolarHBondContact NE-OD1 3.47Å; R478-D915 IonicContact NE-OD2 3.56Å; R478-D915 PolarHBondContact NE-OD2 2.88Å; R478-D915 IonicContact NH2-OD1 3.6Å; R478-D915 PolarHBondContact NH2-OD1 2.81Å; F901-D915 HydrophobicContact CE2-CB 4.28Å; F901-D915 HydrophobicContact CZ-CB 3.9Å; M911-D915 HydrophobicContact CG-CB 3.83Å; T912-D915 WeakPolarHBondContact CB-OD2 3.46Å; T912-D915 PolarHBondContact N-OD2 3.43Å; T912-D915 PolarHBondContact O-N 3.43Å; T912-D915 VanDerWaalsContact OG1-CG 3.31Å; T912-D915 PolarHBondContact OG1-N 3.2Å; T912-D915 PolarHBondContact OG1-OD2 3.14Å; T913-D915 PolarHBondContact O-N 3.3Å; D915-M919 PolarHBondContact O-N 3.48Å |
| 916 | L | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.1 | -43.2 | 179.8 | -68.7 | 162.2 | 0 | 0 | 0 | 110.7 | N723 W726 M727 A896 M911 T912 T913 K914 M919 G920 | N723-L916 HydrophobicContact CB-CD1 3.86Å; N723-L916 HydrophobicContact CB-CD2 3.72Å; N723-L916 HydrophobicContact CB-CG 4.47Å; W726-L916 HydrophobicContact CB-CB 3.55Å; W726-L916 HydrophobicContact CB-CD1 3.82Å; W726-L916 HydrophobicContact CB-CG 4.27Å; W726-L916 HydrophobicContact CG-CD1 4.18Å; M727-L916 VanDerWaalsContact CA-O 3.28Å; M727-L916 WeakPolarHBondContact CA-O 3.24Å; M727-L916 HydrophobicContact CG-CB 4.17Å; M727-L916 HydrophobicContact CG-CD2 3.84Å; M727-L916 WeakPolarHBondContact CG-O 3.39Å; M727-L916 HydrophobicContact SD-CD2 4.38Å; A896-L916 HydrophobicContact CB-CD2 3.68Å; M911-L916 HydrophobicContact CG-CD2 4.39Å; M911-L916 HydrophobicContact CG-CG 4.09Å; M911-L916 HydrophobicContact SD-CD1 4.38Å; M911-L916 HydrophobicContact SD-CD2 3.43Å; M911-L916 WeakPolarHBondContact SD-CD2 3.17Å; M911-L916 HydrophobicContact SD-CG 3.8Å; T912-L916 PolarHBondContact O-N 3.24Å; T913-L916 PolarHBondContact O-N 3.22Å; K914-L916 VanDerWaalsContact C-N 3.3Å; K914-L916 PolarHBondContact O-N 2.91Å; L916-M919 WeakPolarHBondContact O-CB 3.44Å; L916-M919 PolarHBondContact O-N 3.33Å; L916-G920 PolarHBondContact O-N 3.3Å |
| 917 | I | 96.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 26.1 Ų | 26.1 | 12% | 0.123 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.9 | -51.7 | 174.6 | -72.2 | 160.4 | 0 | 0 | 0 | 110 | W442 W726 T913 K914 M919 G920 E921 | W442-I917 HydrophobicContact CH2-CD1 3.68Å; W442-I917 HydrophobicContact CZ2-CD1 4.28Å; W726-I917 HydrophobicContact CE3-CD1 4.36Å; T913-I917 WeakPolarHBondContact O-CB 3.41Å; T913-I917 WeakPolarHBondContact O-CD1 3.22Å; T913-I917 WeakPolarHBondContact O-CG1 3.36Å; T913-I917 PolarHBondContact O-N 3.12Å; K914-I917 PolarHBondContact O-N 2.72Å; I917-M919 VanDerWaalsContact C-N 3.3Å; I917-M919 PolarHBondContact O-N 2.92Å; I917-G920 WeakPolarHBondContact O-CA 3.29Å; I917-G920 PolarHBondContact O-N 3.38Å; I917-E921 WeakPolarHBondContact O-CG 3.18Å; I917-E921 PolarHBondContact O-N 2.98Å |
| 918 | E | 96.1 | Very high | 97 | Very high | 44 Ų | 44 | 20.7 Ų | 20.7 | 21% | 0.206 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.3 | -42.4 | 177.9 | -177.9 | -179 | 169.5 | 0 | 0 | 111.7 | K914 G920 E921 K922 | K914-E918 WeakPolarHBondContact O-CB 3.42Å; K914-E918 PolarHBondContact O-N 3.44Å; E918-G920 VanDerWaalsContact C-N 3.25Å; E918-G920 PolarHBondContact O-N 3.25Å; E918-E921 WeakPolarHBondContact O-CB 3.48Å; E918-E921 PolarHBondContact O-N 3.47Å; E918-K922 HydrophobicContact CG-CG 4.38Å; E918-K922 WeakPolarHBondContact O-CG 3.43Å; E918-K922 PolarHBondContact O-N 2.96Å |
| 919 | M | 98.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.015 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.2 | -36.1 | 175.6 | -172.7 | 71.6 | -113.2 | 0 | 0 | 112.3 | M727 I823 L854 S858 F861 M894 D915 L916 I917 E921 K922 F923 | M727-M919 HydrophobicContact CG-CB 4.3Å; M727-M919 HydrophobicContact CG-CG 4.5Å; M727-M919 HydrophobicContact SD-CB 4.33Å; M727-M919 HydrophobicContact SD-CG 3.92Å; I823-M919 HydrophobicContact CB-SD 4.32Å; I823-M919 HydrophobicContact CD1-CB 3.7Å; I823-M919 HydrophobicContact CD1-CG 3.45Å; I823-M919 VanDerWaalsContact CD1-CG 3.45Å; I823-M919 HydrophobicContact CD1-SD 3.81Å; I823-M919 HydrophobicContact CG2-CG 4.17Å; I823-M919 HydrophobicContact CG2-SD 4.16Å; L854-M919 HydrophobicContact CD2-CE 3.55Å; S858-M919 PolarHBondContact OG-SD 3.42Å; F861-M919 HydrophobicContact CB-SD 4.45Å; M894-M919 HydrophobicContact CE-CG 4.42Å; D915-M919 PolarHBondContact O-N 3.48Å; L916-M919 WeakPolarHBondContact O-CB 3.44Å; L916-M919 PolarHBondContact O-N 3.33Å; I917-M919 VanDerWaalsContact C-N 3.3Å; I917-M919 PolarHBondContact O-N 2.92Å; M919-E921 VanDerWaalsContact C-N 3.31Å; M919-E921 PolarHBondContact O-N 2.79Å; M919-K922 HydrophobicContact CE-CB 3.92Å; M919-K922 PolarHBondContact O-N 3.44Å; M919-F923 WeakPolarHBondContact O-CB 3.28Å; M919-F923 PolarHBondContact O-N 2.91Å |
| 920 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.3 | -39.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M727 L916 I917 E918 | M727-G920 WeakPolarHBondContact O-CA 3.31Å; L916-G920 PolarHBondContact O-N 3.3Å; I917-G920 WeakPolarHBondContact O-CA 3.29Å; I917-G920 PolarHBondContact O-N 3.38Å; E918-G920 VanDerWaalsContact C-N 3.25Å; E918-G920 PolarHBondContact O-N 3.25Å |
| 921 | E | 98.3 | Very high | 97.1 | Very high | 58 Ų | 58 | 20 Ų | 20 | 27% | 0.271 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -67.9 | -49 | 175.6 | -40.6 | -171.8 | 165.8 | 0 | 0 | 110.8 | Y734 I917 E918 M919 F923 I924 D925 | Y734-E921 HydrophobicContact CD1-CB 3.94Å; Y734-E921 HydrophobicContact CD2-CB 3.99Å; Y734-E921 HydrophobicContact CD2-CG 4.21Å; Y734-E921 HydrophobicContact CE1-CB 4.34Å; Y734-E921 HydrophobicContact CE2-CB 4.41Å; Y734-E921 HydrophobicContact CG-CB 3.74Å; Y734-E921 HydrophobicContact CG-CG 4Å; I917-E921 WeakPolarHBondContact O-CG 3.18Å; I917-E921 PolarHBondContact O-N 2.98Å; E918-E921 WeakPolarHBondContact O-CB 3.48Å; E918-E921 PolarHBondContact O-N 3.47Å; M919-E921 VanDerWaalsContact C-N 3.31Å; M919-E921 PolarHBondContact O-N 2.79Å; E921-F923 PolarHBondContact O-N 3.34Å; E921-I924 WeakPolarHBondContact O-CB 3.49Å; E921-I924 PolarHBondContact O-N 3.22Å; E921-D925 PolarHBondContact O-N 2.95Å; E921-D925 VanDerWaalsContact O-N 3.1Å |
| 922 | K | 98.5 | Very high | 97.2 | Very high | 55 Ų | 55 | 23.3 Ų | 23.3 | 24% | 0.239 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60 | -30.1 | 177.1 | -65.1 | -57.4 | 176.2 | -166.7 | 0 | 112.7 | E918 M919 I924 D925 A926 | E918-K922 HydrophobicContact CG-CG 4.38Å; E918-K922 WeakPolarHBondContact O-CG 3.43Å; E918-K922 PolarHBondContact O-N 2.96Å; M919-K922 HydrophobicContact CE-CB 3.92Å; M919-K922 PolarHBondContact O-N 3.44Å; K922-I924 VanDerWaalsContact C-N 3.35Å; K922-D925 IonicContact NZ-OD2 3.67Å; K922-D925 PolarHBondContact O-N 3.41Å; K922-A926 WeakPolarHBondContact O-CB 3.38Å; K922-A926 PolarHBondContact O-N 3.25Å |
| 923 | F | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 173.4 | -171.8 | -94.3 | 0 | 0 | 0 | 111.8 | I713 L731 C812 F814 L850 L854 M894 M919 E921 A926 L927 | I713-F923 HydrophobicContact CD1-CD1 4.2Å; I713-F923 HydrophobicContact CD1-CE1 3.68Å; I713-F923 HydrophobicContact CG1-CE1 4.34Å; L731-F923 HydrophobicContact CD1-CD1 3.73Å; L731-F923 HydrophobicContact CD1-CE1 4.43Å; L731-F923 HydrophobicContact CD1-CG 4.45Å; C812-F923 HydrophobicContact CB-CE2 4.2Å; C812-F923 HydrophobicContact CB-CZ 3.67Å; F814-F923 HydrophobicContact CE1-CD1 4.49Å; F814-F923 HydrophobicContact CE1-CD2 4.09Å; F814-F923 HydrophobicContact CE1-CE1 4.33Å; F814-F923 AromaticContact CE1-CE2 3.93Å; F814-F923 HydrophobicContact CE1-CE2 3.93Å; F814-F923 HydrophobicContact CE1-CG 4.37Å; F814-F923 HydrophobicContact CE1-CZ 4.07Å; F814-F923 HydrophobicContact CZ-CB 4.47Å; F814-F923 AromaticContact CZ-CD1 3.93Å; F814-F923 HydrophobicContact CZ-CD1 3.93Å; F814-F923 HydrophobicContact CZ-CD2 4.05Å; F814-F923 HydrophobicContact CZ-CE1 4.13Å; F814-F923 HydrophobicContact CZ-CE2 4.26Å; F814-F923 AromaticContact CZ-CG 3.88Å; F814-F923 HydrophobicContact CZ-CG 3.88Å; F814-F923 HydrophobicContact CZ-CZ 4.3Å; L850-F923 HydrophobicContact CD2-CE2 3.92Å; L850-F923 HydrophobicContact CD2-CZ 4.13Å; L854-F923 HydrophobicContact CD1-CD2 4.37Å; L854-F923 HydrophobicContact CD2-CD2 4.4Å; M894-F923 HydrophobicContact CE-CD2 3.97Å; M894-F923 HydrophobicContact SD-CD2 3.97Å; M894-F923 HydrophobicContact SD-CE2 4.31Å; M919-F923 WeakPolarHBondContact O-CB 3.28Å; M919-F923 PolarHBondContact O-N 2.91Å; E921-F923 PolarHBondContact O-N 3.34Å; F923-A926 PolarHBondContact O-N 3.4Å; F923-L927 HydrophobicContact CD1-CD1 4.02Å; F923-L927 HydrophobicContact CD1-CG 4.39Å; F923-L927 HydrophobicContact CE1-CD1 3.73Å; F923-L927 HydrophobicContact CE1-CD2 4.4Å; F923-L927 HydrophobicContact CE1-CG 4.15Å; F923-L927 WeakPolarHBondContact O-CG 3.48Å; F923-L927 PolarHBondContact O-N 2.96Å; F923-L927 VanDerWaalsContact O-N 3.13Å |
| 924 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.9 | -43.9 | 176.2 | -61.1 | -56.8 | 0 | 0 | 0 | 111.1 | L731 Y734 L735 A745 F751 E921 K922 A926 L927 V928 | L731-I924 HydrophobicContact CD1-CD1 3.89Å; L731-I924 HydrophobicContact CD1-CG1 4.32Å; L731-I924 HydrophobicContact CD2-CD1 4.09Å; L731-I924 HydrophobicContact CG-CD1 3.72Å; L731-I924 HydrophobicContact CG-CG1 3.86Å; Y734-I924 HydrophobicContact CD1-CB 3.71Å; Y734-I924 HydrophobicContact CD1-CG1 4.01Å; Y734-I924 HydrophobicContact CD1-CG2 3.94Å; Y734-I924 HydrophobicContact CE1-CB 3.75Å; Y734-I924 HydrophobicContact CE1-CG2 3.76Å; L735-I924 HydrophobicContact CD1-CD1 4.37Å; L735-I924 HydrophobicContact CD1-CG2 4.33Å; A745-I924 HydrophobicContact CB-CG2 3.47Å; A745-I924 VanDerWaalsContact CB-CG2 3.47Å; F751-I924 HydrophobicContact CD1-CD1 4.42Å; F751-I924 HydrophobicContact CE1-CD1 3.65Å; F751-I924 HydrophobicContact CZ-CD1 4.08Å; E921-I924 WeakPolarHBondContact O-CB 3.49Å; E921-I924 PolarHBondContact O-N 3.22Å; K922-I924 VanDerWaalsContact C-N 3.35Å; I924-A926 VanDerWaalsContact C-N 3.26Å; I924-A926 PolarHBondContact O-N 3.49Å; I924-L927 HydrophobicContact CD1-CD1 4.22Å; I924-L927 WeakPolarHBondContact O-CB 3.22Å; I924-L927 PolarHBondContact O-N 2.97Å; I924-L927 VanDerWaalsContact O-N 3.12Å; I924-V928 PolarHBondContact O-N 3.47Å; I924-V928 VanDerWaalsContact O-N 3.12Å |
| 925 | D | 98.6 | Very high | 97.1 | Very high | 25 Ų | 25 | 29.2 Ų | 29.2 | 13% | 0.134 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58 | -41 | 175.4 | -71.9 | -18.3 | 0 | 0 | 0 | 111.8 | Y734 R741 I857 E921 K922 L927 V928 C929 | Y734-D925 PolarHBondContact OH-OD1 2.97Å; R741-D925 WeakPolarHBondContact CB-OD1 3.49Å; I857-D925 HydrophobicContact CD1-CB 3.86Å; E921-D925 PolarHBondContact O-N 2.95Å; E921-D925 VanDerWaalsContact O-N 3.1Å; K922-D925 IonicContact NZ-OD2 3.67Å; K922-D925 PolarHBondContact O-N 3.41Å; D925-L927 VanDerWaalsContact C-N 3.33Å; D925-L927 PolarHBondContact O-N 3.02Å; D925-V928 PolarHBondContact O-N 3.4Å; D925-C929 WeakPolarHBondContact O-CB 3.38Å; D925-C929 PolarHBondContact O-N 2.66Å |
| 926 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.8 | -35.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L850 I853 L854 I857 K922 F923 I924 C929 L930 | L850-A926 HydrophobicContact CD1-CB 3.72Å; I853-A926 HydrophobicContact CB-CB 4.46Å; I853-A926 HydrophobicContact CG2-CB 3.7Å; L854-A926 HydrophobicContact CD2-CB 3.42Å; L854-A926 VanDerWaalsContact CD2-CB 3.42Å; L854-A926 HydrophobicContact CG-CB 3.87Å; I857-A926 HydrophobicContact CD1-CB 3.82Å; K922-A926 WeakPolarHBondContact O-CB 3.38Å; K922-A926 PolarHBondContact O-N 3.25Å; F923-A926 PolarHBondContact O-N 3.4Å; I924-A926 VanDerWaalsContact C-N 3.26Å; I924-A926 PolarHBondContact O-N 3.49Å; A926-C929 PolarHBondContact O-N 3.49Å; A926-L930 VanDerWaalsContact O-CB 3.27Å; A926-L930 WeakPolarHBondContact O-CB 3.37Å; A926-L930 PolarHBondContact O-N 3.39Å |
| 927 | L | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.2 | -41.3 | 174.7 | -68.4 | 174.2 | 0 | 0 | 0 | 112 | I711 F749 F751 V810 L850 F923 I924 D925 L930 K931 | I711-L927 HydrophobicContact CD1-CD1 4.42Å; I711-L927 HydrophobicContact CD1-CD2 4.13Å; I711-L927 HydrophobicContact CG1-CD1 4.28Å; I711-L927 HydrophobicContact CG2-CD1 3.81Å; F749-L927 HydrophobicContact CE2-CB 4.05Å; F749-L927 HydrophobicContact CZ-CB 4.35Å; F749-L927 WeakPolarHBondContact CZ-O 3.19Å; F751-L927 HydrophobicContact CE1-CD1 3.8Å; F751-L927 HydrophobicContact CZ-CD1 4.47Å; V810-L927 HydrophobicContact CB-CD2 4.12Å; V810-L927 HydrophobicContact CG1-CD2 4.25Å; V810-L927 HydrophobicContact CG2-CD2 3.75Å; L850-L927 HydrophobicContact CD1-CD2 4.26Å; L850-L927 HydrophobicContact CD2-CD2 4.31Å; F923-L927 HydrophobicContact CD1-CD1 4.02Å; F923-L927 HydrophobicContact CD1-CG 4.39Å; F923-L927 HydrophobicContact CE1-CD1 3.73Å; F923-L927 HydrophobicContact CE1-CD2 4.4Å; F923-L927 HydrophobicContact CE1-CG 4.15Å; F923-L927 WeakPolarHBondContact O-CG 3.48Å; F923-L927 PolarHBondContact O-N 2.96Å; F923-L927 VanDerWaalsContact O-N 3.13Å; I924-L927 HydrophobicContact CD1-CD1 4.22Å; I924-L927 WeakPolarHBondContact O-CB 3.22Å; I924-L927 PolarHBondContact O-N 2.97Å; I924-L927 VanDerWaalsContact O-N 3.12Å; D925-L927 VanDerWaalsContact C-N 3.33Å; D925-L927 PolarHBondContact O-N 3.02Å; L927-L930 WeakPolarHBondContact O-CB 3.44Å; L927-L930 PolarHBondContact O-N 3.49Å; L927-K931 PolarHBondContact O-N 2.84Å |
| 928 | V | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -49.8 | 174.8 | 176.9 | 0 | 0 | 0 | 0 | 110 | R741 L744 A745 L748 F749 I924 D925 L930 K931 E932 | R741-V928 VanDerWaalsContact NH1-CG1 3.34Å; L744-V928 HydrophobicContact CD2-CG1 3.58Å; L744-V928 HydrophobicContact CG-CG1 3.94Å; A745-V928 HydrophobicContact CB-CG2 3.65Å; L748-V928 HydrophobicContact CD1-CG1 4.14Å; F749-V928 HydrophobicContact CE2-CG2 4.37Å; I924-V928 PolarHBondContact O-N 3.47Å; I924-V928 VanDerWaalsContact O-N 3.12Å; D925-V928 PolarHBondContact O-N 3.4Å; V928-L930 VanDerWaalsContact C-N 3.28Å; V928-L930 PolarHBondContact O-N 2.79Å; V928-K931 PolarHBondContact O-N 3.25Å; V928-K931 VanDerWaalsContact O-N 3.1Å; V928-E932 HydrophobicContact CG1-CG 4.43Å; V928-E932 WeakPolarHBondContact O-CG 3.19Å; V928-E932 PolarHBondContact O-N 3.18Å |
| 929 | C | 97.9 | Very high | 93.5 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 15% | 0.149 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.4 | -40 | 176.8 | -179.2 | 0 | 0 | 0 | 0 | 112 | I853 D925 A926 K931 E932 R933 | I853-C929 HydrophobicContact CG2-CB 3.83Å; D925-C929 WeakPolarHBondContact O-CB 3.38Å; D925-C929 PolarHBondContact O-N 2.66Å; A926-C929 PolarHBondContact O-N 3.49Å; C929-K931 PolarHBondContact O-N 3.42Å; C929-E932 PolarHBondContact O-N 3.01Å; C929-R933 WeakPolarHBondContact O-CG 3.45Å; C929-R933 PolarHBondContact O-N 3.32Å |
| 930 | L | 97.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 175.2 | 175.6 | 65.5 | 0 | 0 | 0 | 111.4 | V810 Q849 L850 I853 A926 L927 V928 R933 I934 | V810-L930 HydrophobicContact CG2-CD2 3.82Å; Q849-L930 HydrophobicContact CB-CD1 3.82Å; L850-L930 HydrophobicContact CB-CD2 4.48Å; I853-L930 HydrophobicContact CD1-CB 3.75Å; I853-L930 HydrophobicContact CD1-CD1 4.07Å; A926-L930 VanDerWaalsContact O-CB 3.27Å; A926-L930 WeakPolarHBondContact O-CB 3.37Å; A926-L930 PolarHBondContact O-N 3.39Å; L927-L930 WeakPolarHBondContact O-CB 3.44Å; L927-L930 PolarHBondContact O-N 3.49Å; V928-L930 VanDerWaalsContact C-N 3.28Å; V928-L930 PolarHBondContact O-N 2.79Å; L930-R933 PolarHBondContact O-N 3.48Å; L930-I934 HydrophobicContact CD1-CD1 4Å; L930-I934 HydrophobicContact CD1-CG1 4.37Å; L930-I934 HydrophobicContact CG-CD1 3.92Å; L930-I934 VanDerWaalsContact O-CG1 3.24Å; L930-I934 WeakPolarHBondContact O-CG1 3.21Å; L930-I934 PolarHBondContact O-N 2.82Å |
| 931 | K | 96.9 | Very high | 89.2 | Confident | 56 Ų | 56 | 47.7 Ų | 47.7 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 178.6 | -179.8 | 64.4 | 172.3 | -177.3 | 0 | 112.2 | D709 L748 F749 L927 V928 C929 I934 K935 | D709-K931 WeakPolarHBondContact OD2-CD 3.27Å; D709-K931 VanDerWaalsContact OD2-CE 3.23Å; D709-K931 WeakPolarHBondContact OD2-CE 3.49Å; D709-K931 IonicContact OD2-NZ 3.26Å; D709-K931 PolarHBondContact OD2-NZ 3.46Å; L748-K931 HydrophobicContact CD1-CG 4.24Å; L748-K931 HydrophobicContact CD2-CG 4.32Å; F749-K931 HydrophobicContact CE1-CB 4.14Å; F749-K931 HydrophobicContact CE1-CD 4.49Å; F749-K931 HydrophobicContact CE1-CG 4.32Å; F749-K931 HydrophobicContact CZ-CB 3.63Å; F749-K931 HydrophobicContact CZ-CG 4.16Å; L927-K931 PolarHBondContact O-N 2.84Å; V928-K931 PolarHBondContact O-N 3.25Å; V928-K931 VanDerWaalsContact O-N 3.1Å; C929-K931 PolarHBondContact O-N 3.42Å; K931-I934 PolarHBondContact O-N 3.26Å; K931-K935 WeakPolarHBondContact O-CB 3.5Å; K931-K935 PolarHBondContact O-N 3.06Å |
| 932 | E | 96.3 | Very high | 86.9 | Confident | 69 Ų | 69 | 50 Ų | 50 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 172.9 | -69.5 | 171.2 | 146.7 | 0 | 0 | 110.7 | R741 V928 C929 I934 K935 N936 | R741-E932 IonicContact CZ-OE2 3.89Å; R741-E932 IonicContact NH1-OE1 2.76Å; R741-E932 IonicContact NH1-OE2 3.86Å; R741-E932 PolarHBondContact NH1-OE2 3.29Å; R741-E932 IonicContact NH2-OE1 2.72Å; R741-E932 IonicContact NH2-OE2 3.71Å; V928-E932 HydrophobicContact CG1-CG 4.43Å; V928-E932 WeakPolarHBondContact O-CG 3.19Å; V928-E932 PolarHBondContact O-N 3.18Å; C929-E932 PolarHBondContact O-N 3.01Å; E932-I934 PolarHBondContact O-N 3.38Å; E932-K935 PolarHBondContact O-N 3.47Å; E932-N936 PolarHBondContact O-N 3.29Å |
| 933 | R | 94.5 | Very high | 84.5 | Confident | 28 Ų | 28 | 48.8 Ų | 48.8 | 11% | 0.106 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 177.9 | -72.8 | -175.1 | -175 | -171.1 | 2 | 113.2 | E852 E856 C929 L930 K935 N936 N937 E938 V939 R942 | E852-R933 IonicContact OE2-NH1 3.07Å; E852-R933 PolarHBondContact OE2-NH1 3.42Å; E856-R933 IonicContact OE1-NH1 2.87Å; E856-R933 IonicContact OE1-NH2 2.9Å; E856-R933 IonicContact OE2-CZ 3.43Å; E856-R933 IonicContact OE2-NH1 3.73Å; E856-R933 IonicContact OE2-NH2 3.95Å; E856-R933 PolarHBondContact OE2-NH2 2.92Å; C929-R933 WeakPolarHBondContact O-CG 3.45Å; C929-R933 PolarHBondContact O-N 3.32Å; L930-R933 PolarHBondContact O-N 3.48Å; R933-K935 VanDerWaalsContact C-N 3.34Å; R933-N936 PolarHBondContact O-N 2.8Å; R933-N937 PolarHBondContact O-N 3.02Å; R933-E938 PolarHBondContact O-N 3.33Å; R933-V939 HydrophobicContact CB-CG2 3.81Å; R933-R942 VanDerWaalsContact NH1-NH1 3.13Å |
| 934 | I | 93.5 | Very high | 81.8 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 176.4 | -70 | 166.4 | 0 | 0 | 0 | 109.9 | L809 L930 K931 E932 N936 N937 V939 | L809-I934 HydrophobicContact CD1-CD1 4.08Å; L930-I934 HydrophobicContact CD1-CD1 4Å; L930-I934 HydrophobicContact CD1-CG1 4.37Å; L930-I934 HydrophobicContact CG-CD1 3.92Å; L930-I934 VanDerWaalsContact O-CG1 3.24Å; L930-I934 WeakPolarHBondContact O-CG1 3.21Å; L930-I934 PolarHBondContact O-N 2.82Å; K931-I934 PolarHBondContact O-N 3.26Å; E932-I934 PolarHBondContact O-N 3.38Å; I934-N936 VanDerWaalsContact C-N 3.34Å; I934-N936 PolarHBondContact O-N 3.25Å; I934-N937 PolarHBondContact O-N 3.46Å; I934-V939 HydrophobicContact CG1-CG2 4.09Å |
| 935 | K | 92.1 | Very high | 79.1 | Confident | 171 Ų | 171 | 57 Ų | 57 | 74% | 0.743 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.6 | -38.9 | 178.9 | -173.1 | -178.2 | 178.1 | -176.5 | 0 | 112.3 | K931 E932 R933 N937 | K931-K935 WeakPolarHBondContact O-CB 3.5Å; K931-K935 PolarHBondContact O-N 3.06Å; E932-K935 PolarHBondContact O-N 3.47Å; R933-K935 VanDerWaalsContact C-N 3.34Å; K935-N937 VanDerWaalsContact C-N 3.29Å; K935-N937 PolarHBondContact O-N 3.32Å |
| 936 | N | 89.6 | Confident | 76.4 | Confident | 96 Ų | 96 | 57.3 Ų | 57.3 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 0.6 | -179.1 | -65.6 | -6.5 | 0 | 0 | 0 | 113.8 | E932 R933 I934 E938 | E932-N936 PolarHBondContact O-N 3.29Å; R933-N936 PolarHBondContact O-N 2.8Å; I934-N936 VanDerWaalsContact C-N 3.34Å; I934-N936 PolarHBondContact O-N 3.25Å; N936-E938 HydrophobicContact CB-CG 3.77Å; N936-E938 WeakPolarHBondContact CB-OE1 3.08Å; N936-E938 PolarHBondContact ND2-OE1 3Å; N936-E938 PolarHBondContact O-N 2.78Å |
| 937 | N | 79.8 | Confident | 73.3 | Confident | 128 Ų | 128 | 60 Ų | 60 | 68% | 0.684 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 17.2 | -171.6 | -69.5 | -33.7 | 0 | 0 | 0 | 114.9 | R933 I934 K935 V939 A940 | R933-N937 PolarHBondContact O-N 3.02Å; I934-N937 PolarHBondContact O-N 3.46Å; K935-N937 VanDerWaalsContact C-N 3.29Å; K935-N937 PolarHBondContact O-N 3.32Å; N937-V939 PolarHBondContact O-N 3.09Å; N937-A940 PolarHBondContact O-N 2.55Å |
| 938 | E | 75.7 | Confident | 70.1 | Confident | 87 Ų | 87 | 64.8 Ų | 64.8 | 41% | 0.407 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.2 | -19.6 | 179.2 | -73.4 | 171.5 | -154.4 | 0 | 0 | 112.6 | R933 N936 A941 | R933-E938 PolarHBondContact O-N 3.33Å; N936-E938 HydrophobicContact CB-CG 3.77Å; N936-E938 WeakPolarHBondContact CB-OE1 3.08Å; N936-E938 PolarHBondContact ND2-OE1 3Å; N936-E938 PolarHBondContact O-N 2.78Å; E938-A941 PolarHBondContact O-N 2.92Å |
| 939 | V | 64.6 | Low | 67 | Low | 22 Ų | 22 | 69.5 Ų | 69.5 | 13% | 0.133 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 179.9 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | Q849 R933 I934 N937 V943 | Q849-V939 VanDerWaalsContact CD-CG1 3.4Å; Q849-V939 HydrophobicContact CG-CG1 4.02Å; R933-V939 HydrophobicContact CB-CG2 3.81Å; I934-V939 HydrophobicContact CG1-CG2 4.09Å; N937-V939 PolarHBondContact O-N 3.09Å; V939-V943 WeakPolarHBondContact O-CG2 3.14Å |
| 940 | A | 56.6 | Low | 64.1 | Low | 59 Ų | 59 | 71.5 Ų | 71.5 | 49% | 0.488 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70 | -34.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | N937 R942 V943 | N937-A940 PolarHBondContact O-N 2.55Å; A940-R942 PolarHBondContact O-N 2.79Å; A940-V943 PolarHBondContact O-N 3.31Å |
| 941 | A | 49.1 | Very low | 60.9 | Low | 75 Ų | 75 | 74.9 Ų | 74.9 | 62% | 0.62 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.9 | -35.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E938 | E938-A941 PolarHBondContact O-N 2.92Å |
| 942 | R | 51 | Low | 57.7 | Low | 105 Ų | 105 | 75.1 Ų | 75.1 | 40% | 0.396 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -78 | -28.7 | -179.5 | -72.4 | -172.4 | 175.3 | -164.1 | -0.1 | 113.6 | E852 E856 R933 A940 G944 V945 | E852-R942 IonicContact OE2-NH1 2.9Å; E856-R942 IonicContact OE1-CZ 3.19Å; E856-R942 IonicContact OE1-NH1 3.5Å; E856-R942 PolarHBondContact OE1-NH1 2.65Å; R933-R942 VanDerWaalsContact NH1-NH1 3.13Å; A940-R942 PolarHBondContact O-N 2.79Å; R942-G944 PolarHBondContact O-N 2.67Å; R942-V945 PolarHBondContact O-N 3.26Å |
| 943 | V | 48.6 | Very low | 54.8 | Low | 30 Ų | 30 | 80.4 Ų | 80.4 | 18% | 0.182 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.2 | -32.5 | 175.8 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | F845 V939 A940 V945 M946 P947 | F845-V943 HydrophobicContact CB-CG2 4.33Å; F845-V943 HydrophobicContact CD2-CG1 3.37Å; F845-V943 HydrophobicContact CD2-CG2 4.4Å; F845-V943 HydrophobicContact CE2-CG1 3.73Å; F845-V943 HydrophobicContact CG-CG1 4.32Å; V939-V943 WeakPolarHBondContact O-CG2 3.14Å; A940-V943 PolarHBondContact O-N 3.31Å; V943-V945 PolarHBondContact O-N 3.25Å; V943-M946 PolarHBondContact O-N 3.12Å; V943-P947 WeakPolarHBondContact O-CD 2.96Å |
| 944 | G | 40.5 | Very low | 52.1 | Low | 64 Ų | 64 | 83.5 Ų | 83.5 | 66% | 0.66 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R942 | R942-G944 PolarHBondContact O-N 2.67Š|
| 945 | V | 42.8 | Very low | 49.1 | Very low | 109 Ų | 109 | 85.7 Ų | 85.7 | 66% | 0.661 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -22.6 | -179.5 | -172.4 | 0 | 0 | 0 | 0 | 111.9 | R942 V943 | R942-V945 PolarHBondContact O-N 3.26Å; V943-V945 PolarHBondContact O-N 3.25Å |
| 946 | M | 42.8 | Very low | 46.2 | Very low | 32 Ų | 32 | 85.2 Ų | 85.2 | 16% | 0.158 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -74.6 | -31.6 | -173.7 | -76 | -163.2 | 165.6 | 0 | 0 | 117.4 | Y848 E852 V943 C948 V949 L950 | Y848-M946 HydrophobicContact CD1-CE 3.66Å; Y848-M946 HydrophobicContact CD1-SD 3.94Å; Y848-M946 HydrophobicContact CE1-CE 3.31Å; Y848-M946 HydrophobicContact CE1-SD 4Å; E852-M946 WeakPolarHBondContact OE1-CE 3.34Å; V943-M946 PolarHBondContact O-N 3.12Å; M946-C948 PolarHBondContact O-N 3.28Å; M946-C948 VanDerWaalsContact O-N 3.08Å; M946-V949 PolarHBondContact O-N 3.15Å; M946-V949 VanDerWaalsContact O-N 3.1Å; M946-L950 PolarHBondContact O-N 3.36Å; M946-L950 VanDerWaalsContact O-N 3.17Å |
| 947 | P | 33.6 | Very low | 43.5 | Very low | 58 Ų | 58 | 84.7 Ų | 84.7 | 38% | 0.377 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -52.6 | -33.9 | 176.9 | -28.5 | 29 | 0 | 0 | 0 | 112 | V943 N951 | V943-P947 WeakPolarHBondContact O-CD 2.96Å; P947-N951 WeakPolarHBondContact O-CB 3.38Å; P947-N951 VanDerWaalsContact O-CG 3.28Å; P947-N951 PolarHBondContact O-N 3.3Å; P947-N951 VanDerWaalsContact O-N 3.12Å; P947-N951 PolarHBondContact O-ND2 3.39Å |
| 948 | C | 29.7 | Very low | 41.1 | Very low | 99 Ų | 99 | 84.5 Ų | 84.5 | 67% | 0.669 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71.6 | -37.2 | -178.3 | -156.4 | 0 | 0 | 0 | 0 | 112.8 | M946 A952 | M946-C948 PolarHBondContact O-N 3.28Å; M946-C948 VanDerWaalsContact O-N 3.08Å; C948-A952 WeakPolarHBondContact O-CB 3.36Å; C948-A952 PolarHBondContact O-N 2.9Å |
| 949 | V | 34.2 | Very low | 39 | Very low | 100 Ų | 100 | 84.1 Ų | 84.1 | 61% | 0.606 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -86.7 | -36 | -173.4 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | M946 | M946-V949 PolarHBondContact O-N 3.15Å; M946-V949 VanDerWaalsContact O-N 3.1Å |
| 950 | L | 36.6 | Very low | 37.7 | Very low | 64 Ų | 64 | 86.5 Ų | 86.5 | 34% | 0.335 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -76.3 | -39 | 174.6 | -72.2 | 168.8 | 0 | 0 | 0 | 111.2 | M946 Q954 | M946-L950 PolarHBondContact O-N 3.36Å; M946-L950 VanDerWaalsContact O-N 3.17Å; L950-Q954 WeakPolarHBondContact O-CB 3.48Å; L950-Q954 WeakPolarHBondContact O-CG 3.23Å; L950-Q954 PolarHBondContact O-N 3.38Å |
| 951 | N | 30.3 | Very low | 36.5 | Very low | 71 Ų | 71 | 90.5 Ų | 90.5 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.1 | -35.5 | 175.6 | -71.5 | -21.9 | 0 | 0 | 0 | 112.5 | P947 K953 Q954 Q955 | P947-N951 WeakPolarHBondContact O-CB 3.38Å; P947-N951 VanDerWaalsContact O-CG 3.28Å; P947-N951 PolarHBondContact O-N 3.3Å; P947-N951 VanDerWaalsContact O-N 3.12Å; P947-N951 PolarHBondContact O-ND2 3.39Å; N951-K953 VanDerWaalsContact C-N 3.26Å; N951-K953 PolarHBondContact O-N 2.9Å; N951-Q954 CarbonylContact O-C 3.57Å; N951-Q954 PolarHBondContact O-N 2.84Å; N951-Q955 HydrophobicContact CB-CG 3.94Å; N951-Q955 WeakPolarHBondContact O-CA 2.94Å; N951-Q955 WeakPolarHBondContact O-CB 3.4Å; N951-Q955 WeakPolarHBondContact O-CG 3.33Å; N951-Q955 PolarHBondContact O-N 2.88Å |
| 952 | A | 30.7 | Very low | 35.7 | Very low | 61 Ų | 61 | 89.8 Ų | 89.8 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -31.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C948 | C948-A952 WeakPolarHBondContact O-CB 3.36Å; C948-A952 PolarHBondContact O-N 2.9Å |
| 953 | K | 33.8 | Very low | 34.8 | Very low | 181 Ų | 181 | 90.4 Ų | 90.4 | 79% | 0.787 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -84.9 | -17.2 | 174.4 | -75.9 | -175.7 | 177.7 | 175.4 | 0 | 113.9 | N951 | N951-K953 VanDerWaalsContact C-N 3.26Å; N951-K953 PolarHBondContact O-N 2.9Å |
| 954 | Q | 37.9 | Very low | 33.9 | Very low | 93 Ų | 93 | 94.7 Ų | 94.7 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -106.8 | -25.2 | -178 | -68.9 | -178.7 | -24 | 0 | 0 | 113.7 | L950 N951 Q956 T957 | L950-Q954 WeakPolarHBondContact O-CB 3.48Å; L950-Q954 WeakPolarHBondContact O-CG 3.23Å; L950-Q954 PolarHBondContact O-N 3.38Å; N951-Q954 CarbonylContact O-C 3.57Å; N951-Q954 PolarHBondContact O-N 2.84Å; Q954-Q956 PolarHBondContact O-N 2.99Å; Q954-T957 WeakPolarHBondContact O-CB 3.28Å; Q954-T957 PolarHBondContact O-N 2.93Å; Q954-T957 PolarHBondContact O-OG1 2.93Å |
| 955 | Q | 30.7 | Very low | 33.5 | Very low | 94 Ų | 94 | 99.4 Ų | 99.4 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -68.2 | -13.3 | 177.4 | -83.8 | 178.2 | -18.2 | 0 | 0 | 113.5 | N951 T957 E958 P959 | N951-Q955 HydrophobicContact CB-CG 3.94Å; N951-Q955 WeakPolarHBondContact O-CA 2.94Å; N951-Q955 WeakPolarHBondContact O-CB 3.4Å; N951-Q955 WeakPolarHBondContact O-CG 3.33Å; N951-Q955 PolarHBondContact O-N 2.88Å; Q955-T957 PolarHBondContact O-N 3.36Å; Q955-T957 VanDerWaalsContact O-N 3.11Å; Q955-E958 HydrophobicContact CG-CG 4.37Å; Q955-E958 PolarHBondContact O-N 2.91Å; Q955-P959 WeakPolarHBondContact O-CD 3.48Å |
| 956 | Q | 31.8 | Very low | 33.1 | Very low | 162 Ų | 162 | 97.2 Ų | 97.2 | 76% | 0.757 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -60.2 | -17 | 164.3 | -72.6 | -170.5 | -2.7 | 0 | 0 | 112.4 | Q954 | Q954-Q956 PolarHBondContact O-N 2.99Š|
| 957 | T | 32.9 | Very low | 32.5 | Very low | 85 Ų | 85 | 102.9 Ų | 102.9 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -100.5 | -12.3 | 176.4 | 67.8 | 0 | 0 | 0 | 0 | 114.6 | Q954 Q955 I960 Y961 | Q954-T957 WeakPolarHBondContact O-CB 3.28Å; Q954-T957 PolarHBondContact O-N 2.93Å; Q954-T957 PolarHBondContact O-OG1 2.93Å; Q955-T957 PolarHBondContact O-N 3.36Å; Q955-T957 VanDerWaalsContact O-N 3.11Å; T957-I960 PolarHBondContact O-N 2.89Å; T957-Y961 PolarHBondContact O-N 3.21Å |
| 958 | E | 30.3 | Very low | 32.5 | Very low | 123 Ų | 123 | 105 Ų | 105 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.7 | -39.6 | -178.2 | -87.8 | -139.7 | 139.6 | 0 | 0 | 114.5 | Q955 I960 Y961 A962 | Q955-E958 HydrophobicContact CG-CG 4.37Å; Q955-E958 PolarHBondContact O-N 2.91Å; E958-I960 PolarHBondContact O-N 3.4Å; E958-I960 VanDerWaalsContact O-N 3.14Å; E958-Y961 PolarHBondContact O-N 2.93Å; E958-Y961 VanDerWaalsContact O-N 3.1Å; E958-A962 VanDerWaalsContact O-CB 3.28Å; E958-A962 WeakPolarHBondContact O-CB 3.45Å; E958-A962 PolarHBondContact O-N 3.17Å |
| 959 | P | 31.4 | Very low | 32.6 | Very low | 79 Ų | 79 | 105 Ų | 105 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.6 | -33.6 | 174.5 | -23.9 | 31.8 | 0 | 0 | 0 | 111.4 | Q955 L963 | Q955-P959 WeakPolarHBondContact O-CD 3.48Å; P959-L963 WeakPolarHBondContact O-CB 3.15Å; P959-L963 WeakPolarHBondContact O-CD1 3.48Å; P959-L963 VanDerWaalsContact O-CG 3.23Å; P959-L963 WeakPolarHBondContact O-CG 3.27Å; P959-L963 PolarHBondContact O-N 2.97Å |
| 960 | I | 35.6 | Very low | 32.3 | Very low | 72 Ų | 72 | 102.7 Ų | 102.7 | 37% | 0.369 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.9 | -38.3 | 178.5 | -62.6 | 174.2 | 0 | 0 | 0 | 111.3 | T957 E958 R964 | T957-I960 PolarHBondContact O-N 2.89Å; E958-I960 PolarHBondContact O-N 3.4Å; E958-I960 VanDerWaalsContact O-N 3.14Å; I960-R964 VanDerWaalsContact O-CB 3.29Å; I960-R964 WeakPolarHBondContact O-CB 3.19Å; I960-R964 VanDerWaalsContact O-CG 3.3Å; I960-R964 WeakPolarHBondContact O-CG 3.28Å; I960-R964 PolarHBondContact O-N 3.49Å |
| 961 | Y | 32.3 | Very low | 32 | Very low | 143 Ų | 143 | 109.7 Ų | 109.7 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.3 | -35.7 | 176.8 | -120.4 | -89.3 | 0 | 0 | 0 | 112.5 | T957 E958 R964 R965 | T957-Y961 PolarHBondContact O-N 3.21Å; E958-Y961 PolarHBondContact O-N 2.93Å; E958-Y961 VanDerWaalsContact O-N 3.1Å; Y961-R964 CarbonylContact O-C 3.53Å; Y961-R964 PolarHBondContact O-N 3.05Å; Y961-R965 WeakPolarHBondContact O-CB 3.41Å; Y961-R965 PolarHBondContact O-N 3.07Å |
| 962 | A | 33.2 | Very low | 32 | Very low | 61 Ų | 61 | 109.7 Ų | 109.7 | 50% | 0.504 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.8 | -42.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E958 R964 R965 A966 | E958-A962 VanDerWaalsContact O-CB 3.28Å; E958-A962 WeakPolarHBondContact O-CB 3.45Å; E958-A962 PolarHBondContact O-N 3.17Å; A962-R964 VanDerWaalsContact C-N 3.34Å; A962-R964 PolarHBondContact O-N 3.38Å; A962-R965 PolarHBondContact O-N 2.92Å; A962-A966 WeakPolarHBondContact O-CB 3.4Å; A962-A966 PolarHBondContact O-N 3.39Å |
| 963 | L | 30.2 | Very low | 31.7 | Very low | 118 Ų | 118 | 111.8 Ų | 111.8 | 62% | 0.618 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.5 | -38.5 | 170.9 | -84.8 | 161.3 | 0 | 0 | 0 | 111.6 | P959 A966 F967 | P959-L963 WeakPolarHBondContact O-CB 3.15Å; P959-L963 WeakPolarHBondContact O-CD1 3.48Å; P959-L963 VanDerWaalsContact O-CG 3.23Å; P959-L963 WeakPolarHBondContact O-CG 3.27Å; P959-L963 PolarHBondContact O-N 2.97Å; L963-A966 PolarHBondContact O-N 3.29Å; L963-F967 VanDerWaalsContact O-CB 3.32Å; L963-F967 WeakPolarHBondContact O-CB 3.2Å; L963-F967 PolarHBondContact O-N 3.13Å |
| 964 | R | 31.4 | Very low | 31.3 | Very low | 120 Ų | 120 | 109.3 Ų | 109.3 | 45% | 0.453 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.9 | -39.6 | 173.5 | -82.1 | -176.9 | -178 | -176.4 | 7.4 | 112 | I960 Y961 A962 A966 F967 V968 | I960-R964 VanDerWaalsContact O-CB 3.29Å; I960-R964 WeakPolarHBondContact O-CB 3.19Å; I960-R964 VanDerWaalsContact O-CG 3.3Å; I960-R964 WeakPolarHBondContact O-CG 3.28Å; I960-R964 PolarHBondContact O-N 3.49Å; Y961-R964 CarbonylContact O-C 3.53Å; Y961-R964 PolarHBondContact O-N 3.05Å; A962-R964 VanDerWaalsContact C-N 3.34Å; A962-R964 PolarHBondContact O-N 3.38Å; R964-A966 VanDerWaalsContact C-N 3.35Å; R964-F967 PolarHBondContact O-N 3.48Å; R964-V968 VanDerWaalsContact O-CB 3.25Å; R964-V968 WeakPolarHBondContact O-CB 3.38Å; R964-V968 WeakPolarHBondContact O-CG2 3.4Å; R964-V968 PolarHBondContact O-N 2.72Å |
| 965 | R | 31 | Very low | 30.8 | Very low | 162 Ų | 162 | 109.3 Ų | 109.3 | 61% | 0.611 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.6 | -43.8 | 170.6 | -92.5 | -169.1 | -178.5 | -166.1 | 3.4 | 110.5 | Y961 A962 F967 V968 L969 | Y961-R965 WeakPolarHBondContact O-CB 3.41Å; Y961-R965 PolarHBondContact O-N 3.07Å; A962-R965 PolarHBondContact O-N 2.92Å; R965-F967 VanDerWaalsContact C-N 3.33Å; R965-F967 PolarHBondContact O-N 3.47Å; R965-V968 PolarHBondContact O-N 3.4Å; R965-L969 HydrophobicContact CB-CD1 4.33Å; R965-L969 WeakPolarHBondContact O-CB 3.45Å; R965-L969 VanDerWaalsContact O-CG 3.23Å; R965-L969 WeakPolarHBondContact O-CG 3.26Å; R965-L969 PolarHBondContact O-N 3.46Å |
| 966 | A | 34.3 | Very low | 30.5 | Very low | 64 Ų | 64 | 113.8 Ų | 113.8 | 53% | 0.529 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.5 | -36.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A962 L963 R964 G970 | A962-A966 WeakPolarHBondContact O-CB 3.4Å; A962-A966 PolarHBondContact O-N 3.39Å; L963-A966 PolarHBondContact O-N 3.29Å; R964-A966 VanDerWaalsContact C-N 3.35Å; A966-G970 WeakPolarHBondContact O-CA 3.21Å; A966-G970 PolarHBondContact O-N 2.88Å |
| 967 | F | 30.5 | Very low | 30.3 | Very low | 151 Ų | 151 | 115.1 Ų | 115.1 | 66% | 0.662 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.4 | -33.7 | 178.8 | -134.4 | -90.4 | 0 | 0 | 0 | 113.4 | L963 R964 R965 | L963-F967 VanDerWaalsContact O-CB 3.32Å; L963-F967 WeakPolarHBondContact O-CB 3.2Å; L963-F967 PolarHBondContact O-N 3.13Å; R964-F967 PolarHBondContact O-N 3.48Å; R965-F967 VanDerWaalsContact C-N 3.33Å; R965-F967 PolarHBondContact O-N 3.47Å |
| 968 | V | 33.5 | Very low | 29.9 | Very low | 103 Ų | 103 | 115.8 Ų | 115.8 | 62% | 0.624 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -81.4 | -42.5 | 178.8 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | R964 R965 R971 A972 | R964-V968 VanDerWaalsContact O-CB 3.25Å; R964-V968 WeakPolarHBondContact O-CB 3.38Å; R964-V968 WeakPolarHBondContact O-CG2 3.4Å; R964-V968 PolarHBondContact O-N 2.72Å; R965-V968 PolarHBondContact O-N 3.4Å; V968-R971 PolarHBondContact O-N 2.89Å; V968-A972 PolarHBondContact O-N 3.44Å |
| 969 | L | 31.6 | Very low | 29.8 | Very low | 98 Ų | 98 | 117.9 Ų | 117.9 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.6 | -33 | 174.5 | -66.4 | 167.5 | 0 | 0 | 0 | 111.6 | R965 R971 A972 C973 | R965-L969 HydrophobicContact CB-CD1 4.33Å; R965-L969 WeakPolarHBondContact O-CB 3.45Å; R965-L969 VanDerWaalsContact O-CG 3.23Å; R965-L969 WeakPolarHBondContact O-CG 3.26Å; R965-L969 PolarHBondContact O-N 3.46Å; L969-R971 PolarHBondContact O-N 3.18Å; L969-R971 VanDerWaalsContact O-N 3.09Å; L969-A972 PolarHBondContact O-N 3.18Å; L969-C973 PolarHBondContact O-N 2.88Å; L969-C973 VanDerWaalsContact O-N 3.14Å |
| 970 | G | 28.6 | Very low | 29.5 | Very low | 51 Ų | 51 | 117.3 Ų | 117.3 | 53% | 0.526 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.6 | -10.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | A966 | A966-G970 WeakPolarHBondContact O-CA 3.21Å; A966-G970 PolarHBondContact O-N 2.88Å |
| 971 | R | 30.6 | Very low | 29.1 | Very low | 212 Ų | 212 | 119.9 Ų | 119.9 | 80% | 0.8 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -7.6 | 170.7 | -76.4 | -168 | 175.7 | -164.4 | -1.9 | 114.4 | V968 L969 | V968-R971 PolarHBondContact O-N 2.89Å; L969-R971 PolarHBondContact O-N 3.18Å; L969-R971 VanDerWaalsContact O-N 3.09Å |
| 972 | A | 30.1 | Very low | 28.9 | Very low | 70 Ų | 70 | 123.4 Ų | 123.4 | 58% | 0.579 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -13.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | V968 L969 | V968-A972 PolarHBondContact O-N 3.44Å; L969-A972 PolarHBondContact O-N 3.18Å |
| 973 | C | 24.1 | Very low | 28.6 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 71% | 0.709 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -110.4 | 35.6 | 178.9 | -72.1 | 0 | 0 | 0 | 0 | 113.9 | L969 | L969-C973 PolarHBondContact O-N 2.88Å; L969-C973 VanDerWaalsContact O-N 3.14Å |
| 974 | V | 25.9 | Very low | 28.5 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 78% | 0.782 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -113.2 | 57.1 | 165.5 | -166.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 975 | S | 26.1 | Very low | 28.4 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -167.8 | 119.7 | 157.4 | 55.4 | 0 | 0 | 0 | 0 | 107.8 | ||
| 976 | E | 25.8 | Very low | 28.3 | Very low | 188 Ų | 188 | 126 Ų | 126 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 75.9 | 129.1 | 168.8 | -60.5 | 178.8 | 163.5 | 0 | 0 | 117.2 | ||
| 977 | Q | 25.9 | Very low | 28.1 | Very low | 191 Ų | 191 | 133 Ų | 133 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | 78.2 | 49.4 | 179.5 | -51.6 | -168.9 | -10.3 | 0 | 0 | 117.6 | N979 | Q977-N979 VanDerWaalsContact C-N 3.29Å; Q977-N979 PolarHBondContact O-N 3.31Å | ||
| 978 | A | 25.7 | Very low | 27.9 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -74 | 86.6 | 143 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 979 | N | 26.8 | Very low | 27.6 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -164.8 | 107 | 162.5 | -95.7 | -21.9 | 0 | 0 | 0 | 109 | Q977 | Q977-N979 VanDerWaalsContact C-N 3.29Å; Q977-N979 PolarHBondContact O-N 3.31Å | ||
| 980 | G | 27.1 | Very low | 27.3 | Very low | 68 Ų | 68 | 140.6 Ų | 140.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 136.3 | 92 | 165 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 981 | V | 26.6 | Very low | 27.1 | Very low | 126 Ų | 126 | 146 Ų | 146 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | trans | 64.3 | 73 | 142.6 | -158.7 | 0 | 0 | 0 | 0 | 117 | T983 | V981-T983 HydrophobicContact CG1-CG2 3.84Š| ||
| 982 | F | 27.5 | Very low | 27.2 | Very low | 217 Ų | 217 | 145.8 Ų | 145.8 | 95% | 0.952 | 84% | 0.836 | S | S | * | * | trans | -101.5 | 100.8 | 138.6 | -90.4 | -83.1 | 0 | 0 | 0 | 107.9 | ||||
| 983 | T | 28.1 | Very low | 27 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 72% | 0.724 | 85% | 0.849 | S | S | * | * | trans | -57.9 | 132.2 | 176.4 | 36.8 | 0 | 0 | 0 | 0 | 110.9 | V981 G985 | V981-T983 HydrophobicContact CG1-CG2 3.84Å; T983-G985 PolarHBondContact O-N 3.26Å; T983-G985 VanDerWaalsContact O-N 3.1Å | ||
| 984 | K | 27.4 | Very low | 27.2 | Very low | 218 Ų | 218 | 151.9 Ų | 151.9 | 95% | 0.948 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -53.5 | 108.4 | 167.6 | -72.6 | 172.2 | 173.2 | 175 | 0 | 109 | ||
| 985 | G | 29 | Very low | 27.3 | Very low | 71 Ų | 71 | 153.2 Ų | 153.2 | 73% | 0.732 | 86% | 0.861 | S | S | * | * | trans | -161.5 | -34.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | T983 | T983-G985 PolarHBondContact O-N 3.26Å; T983-G985 VanDerWaalsContact O-N 3.1Å | ||
| 986 | A | 29.2 | Very low | 27.3 | Very low | 109 Ų | 109 | 156.7 Ų | 156.7 | 90% | 0.901 | 87% | 0.873 | S | S | * | * | S | Bend | trans | -108.4 | 37.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 987 | K | 29 | Very low | 27.4 | Very low | 209 Ų | 209 | 154.8 Ų | 154.8 | 91% | 0.909 | 87% | 0.873 | S | S | * | * | S | Bend | trans | -115.3 | 26 | -179.1 | -133.1 | -177.5 | -172.2 | -177 | 0 | 114.8 | ||
| 988 | K | 28.2 | Very low | 27.5 | Very low | 201 Ų | 201 | 152.3 Ų | 152.3 | 87% | 0.874 | 87% | 0.872 | S | S | * | * | S | Bend | trans | -132.1 | 13 | -177.2 | -107 | -171.5 | 177.8 | -172.8 | 0 | 118.4 | ||
| 989 | E | 27.1 | Very low | 27.7 | Very low | 187 Ų | 187 | 156.1 Ų | 156.1 | 87% | 0.874 | 88% | 0.875 | S | S | * | * | S | Bend | trans | -128.9 | 35.8 | 177.6 | -79.2 | -170.8 | 159.2 | 0 | 0 | 115.5 | ||
| 990 | C | 25.4 | Very low | 27.7 | Very low | 124 Ų | 124 | 155.4 Ų | 155.4 | 84% | 0.838 | 87% | 0.874 | S | S | * | * | S | Bend | trans | -143 | 37.1 | 167.1 | -99.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 991 | D | 23.3 | Very low | 27.8 | Very low | 166 Ų | 166 | 162.7 Ų | 162.7 | 89% | 0.888 | 89% | 0.889 | S | S | * | * | trans | -128.8 | 71.2 | 159.9 | -83.6 | -32.8 | 0 | 0 | 0 | 108.9 | ||||
| 992 | T | 32.6 | Very low | 27.9 | Very low | 206 Ų | 206 | 166 Ų | 166 | 100% | 1.264 | 90% | 0.9 | S | S | * | * | trans | -149.6 | 0 | 152.3 | 20 | 0 | 0 | 0 | 0 | 105.8 |
Retrieved 992 of 992 residues in 1438.7 ms
(Link to these results)