| 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 | 46.1 | Very low | 75.3 | Confident | 239 Ų | 239 | 117.1 Ų | 117.1 | 100% | 1.177 | 65% | 0.646 | S | S | * | * | 0 | 87.4 | 0 | -61.1 | 173.1 | 100.7 | 0 | 0 | 105.9 | |||||
| 2 | S | 55.4 | Low | 76.8 | Confident | 105 Ų | 105 | 112 Ų | 112 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | trans | -125.6 | 75.2 | 168.2 | 47.7 | 0 | 0 | 0 | 0 | 103.5 | E4 | S2-E4 PolarHBondContact O-N 2.61Š| ||
| 3 | D | 63.2 | Low | 78.3 | Confident | 145 Ų | 145 | 105.3 Ų | 105.3 | 78% | 0.775 | 58% | 0.583 | S | S | * | * | trans | -60 | 95.9 | 150.9 | -74.9 | -53.7 | 0 | 0 | 0 | 103.2 | E5 | D3-E5 PolarHBondContact O-N 3.16Š| ||
| 4 | E | 62.4 | Low | 79.6 | Confident | 177 Ų | 177 | 103.9 Ų | 103.9 | 83% | 0.827 | 57% | 0.565 | S | S | * | * | trans | -42.6 | 114 | 166.4 | -63 | 170.2 | 134 | 0 | 0 | 105.4 | S2 A6 | S2-E4 PolarHBondContact O-N 2.61Å; E4-A6 VanDerWaalsContact C-N 3.27Å; E4-A6 WeakPolarHBondContact O-CA 3.41Å; E4-A6 PolarHBondContact O-N 3.2Å | ||
| 5 | E | 72.1 | Confident | 80.6 | Confident | 182 Ų | 182 | 106.5 Ų | 106.5 | 85% | 0.85 | 57% | 0.568 | S | S | * | * | trans | -34.7 | 87.7 | -165.1 | -68 | 170 | 165.9 | 0 | 0 | 111.9 | D3 V7 | D3-E5 PolarHBondContact O-N 3.16Å; E5-V7 VanDerWaalsContact C-N 3.28Å; E5-V7 PolarHBondContact O-N 3.16Å | ||
| 6 | A | 77.2 | Confident | 81.6 | Confident | 88 Ų | 88 | 106.9 Ų | 106.9 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | trans | -75 | 95 | -179 | 0 | 0 | 0 | 0 | 0 | 104.8 | E4 D8 | E4-A6 VanDerWaalsContact C-N 3.27Å; E4-A6 WeakPolarHBondContact O-CA 3.41Å; E4-A6 PolarHBondContact O-N 3.2Å; A6-D8 PolarHBondContact O-N 3.44Å | ||
| 7 | V | 84.1 | Confident | 82.5 | Confident | 106 Ų | 106 | 101.1 Ų | 101.1 | 64% | 0.642 | 54% | 0.537 | S | S | * | . | trans | -64.7 | 109.6 | 176.8 | 179.2 | 0 | 0 | 0 | 0 | 107 | E5 P9 | E5-V7 VanDerWaalsContact C-N 3.28Å; E5-V7 PolarHBondContact O-N 3.16Å; V7-P9 VanDerWaalsContact O-CD 3.26Å; V7-P9 WeakPolarHBondContact O-CD 3.27Å | ||
| 8 | D | 89.5 | Confident | 83.3 | Confident | 74 Ų | 74 | 101.8 Ų | 101.8 | 40% | 0.396 | 53% | 0.531 | S | S | . | . | trans | -60.3 | 119.4 | 173.8 | -172.5 | -16.5 | 0 | 0 | 0 | 108.5 | A6 L10 D11 | A6-D8 PolarHBondContact O-N 3.44Å; D8-L10 PolarHBondContact O-N 3.01Å; D8-L10 VanDerWaalsContact O-N 3.11Å; D8-L10 WeakPolarHBondContact OD1-CB 3.5Å; D8-L10 PolarHBondContact OD1-N 2.79Å; D8-D11 PolarHBondContact O-N 3.36Å | ||
| 9 | P | 91.9 | Very high | 83.9 | Confident | 56 Ų | 56 | 102.2 Ų | 102.2 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -53.6 | -30.3 | 174.7 | -26.3 | 35.8 | 0 | 0 | 0 | 112.7 | V7 D11 T12 L13 V66 | V7-P9 VanDerWaalsContact O-CD 3.26Å; V7-P9 WeakPolarHBondContact O-CD 3.27Å; P9-D11 VanDerWaalsContact C-N 3.32Å; P9-D11 PolarHBondContact O-N 3.12Å; P9-T12 PolarHBondContact O-N 3.29Å; P9-L13 WeakPolarHBondContact O-CG 3.44Å; P9-L13 PolarHBondContact O-N 3.5Å; P9-V66 HydrophobicContact CB-CB 3.74Å; P9-V66 HydrophobicContact CB-CG1 4.44Å; P9-V66 HydrophobicContact CB-CG2 3.54Å; P9-V66 HydrophobicContact CG-CB 4.31Å; P9-V66 HydrophobicContact CG-CG2 4.46Å |
| 10 | L | 93 | Very high | 84.6 | Confident | 36 Ų | 36 | 98.7 Ų | 98.7 | 19% | 0.188 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 176.8 | -178.5 | 57.6 | 0 | 0 | 0 | 112.3 | D8 T12 L13 R14 V59 I63 | D8-L10 PolarHBondContact O-N 3.01Å; D8-L10 VanDerWaalsContact O-N 3.11Å; D8-L10 WeakPolarHBondContact OD1-CB 3.5Å; D8-L10 PolarHBondContact OD1-N 2.79Å; L10-T12 VanDerWaalsContact C-N 3.33Å; L10-T12 PolarHBondContact O-N 2.04Å; L10-L13 PolarHBondContact O-N 3.18Å; L10-R14 HydrophobicContact CD1-CG 4.16Å; L10-R14 HydrophobicContact CG-CG 4.48Å; L10-R14 WeakPolarHBondContact O-CB 3.46Å; L10-R14 VanDerWaalsContact O-CG 3.31Å; L10-R14 WeakPolarHBondContact O-CG 3.43Å; L10-R14 PolarHBondContact O-N 3.08Å; L10-V59 HydrophobicContact CD1-CG1 3.53Å; L10-I63 HydrophobicContact CB-CD1 3.99Å; L10-I63 HydrophobicContact CD1-CD1 3.63Å; L10-I63 HydrophobicContact CD1-CG1 4.29Å; L10-I63 HydrophobicContact CG-CD1 4.36Å |
| 11 | D | 93.3 | Very high | 85.2 | Confident | 80 Ų | 80 | 101.8 Ų | 101.8 | 43% | 0.428 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 178.7 | -77.5 | -21 | 0 | 0 | 0 | 111.5 | D8 P9 K15 | D8-D11 PolarHBondContact O-N 3.36Å; P9-D11 VanDerWaalsContact C-N 3.32Å; P9-D11 PolarHBondContact O-N 3.12Å; D11-K15 WeakPolarHBondContact O-CB 3.38Å; D11-K15 VanDerWaalsContact O-CG 3.24Å; D11-K15 WeakPolarHBondContact O-CG 3.39Å; D11-K15 PolarHBondContact O-N 2.86Å |
| 12 | T | 93.6 | Very high | 87.5 | Confident | 56 Ų | 56 | 96.2 Ų | 96.2 | 34% | 0.344 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -50.7 | 174.8 | -56.6 | 0 | 0 | 0 | 0 | 110.3 | P9 L10 R14 K15 E16 | P9-T12 PolarHBondContact O-N 3.29Å; L10-T12 VanDerWaalsContact C-N 3.33Å; L10-T12 PolarHBondContact O-N 2.04Å; T12-R14 VanDerWaalsContact C-N 3.33Å; T12-R14 PolarHBondContact O-N 3.46Å; T12-K15 WeakPolarHBondContact O-CB 3.01Å; T12-K15 PolarHBondContact O-N 3.01Å; T12-E16 WeakPolarHBondContact O-CG 3.4Å; T12-E16 PolarHBondContact O-N 3.08Å |
| 13 | L | 95.9 | Very high | 89.6 | Confident | 25 Ų | 25 | 91.2 Ų | 91.2 | 13% | 0.131 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61 | -40.5 | 179.5 | -70.3 | 176.1 | 0 | 0 | 0 | 112.3 | P9 L10 E16 A17 V59 I63 V66 | P9-L13 WeakPolarHBondContact O-CG 3.44Å; P9-L13 PolarHBondContact O-N 3.5Å; L10-L13 PolarHBondContact O-N 3.18Å; L13-E16 PolarHBondContact O-N 2.89Å; L13-A17 VanDerWaalsContact O-CB 3.25Å; L13-A17 WeakPolarHBondContact O-CB 3.05Å; L13-A17 PolarHBondContact O-N 3.38Å; L13-V59 HydrophobicContact CB-CG1 4.19Å; L13-V59 HydrophobicContact CB-CG2 4.08Å; L13-V59 HydrophobicContact CD1-CG1 4.42Å; L13-I63 HydrophobicContact CD1-CB 4.41Å; L13-I63 HydrophobicContact CD1-CD1 3.74Å; L13-V66 HydrophobicContact CD1-CG2 3.71Å |
| 14 | R | 96.6 | Very high | 91.2 | Very high | 85 Ų | 85 | 86.6 Ų | 86.6 | 32% | 0.321 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 176.2 | -78.3 | 177.5 | 166.4 | 154.1 | -1.8 | 112.1 | L10 T12 A17 R18 V55 D56 V59 | L10-R14 HydrophobicContact CD1-CG 4.16Å; L10-R14 HydrophobicContact CG-CG 4.48Å; L10-R14 WeakPolarHBondContact O-CB 3.46Å; L10-R14 VanDerWaalsContact O-CG 3.31Å; L10-R14 WeakPolarHBondContact O-CG 3.43Å; L10-R14 PolarHBondContact O-N 3.08Å; T12-R14 VanDerWaalsContact C-N 3.33Å; T12-R14 PolarHBondContact O-N 3.46Å; R14-A17 PolarHBondContact O-N 3.49Å; R14-R18 VanDerWaalsContact O-CG 3.26Å; R14-R18 WeakPolarHBondContact O-CG 2.88Å; R14-R18 PolarHBondContact O-N 2.79Å; R14-V55 HydrophobicContact CB-CG1 4.15Å; R14-V55 HydrophobicContact CG-CG1 3.85Å; R14-D56 IonicContact NH2-OD1 3.49Å; R14-V59 HydrophobicContact CG-CG2 4Å |
| 15 | K | 95.4 | Very high | 92.9 | Very high | 143 Ų | 143 | 81.3 Ų | 81.3 | 62% | 0.622 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.2 | -47 | 176.1 | -76.4 | 168.9 | -176.3 | 171.8 | 0 | 111.2 | D11 T12 R18 V19 | D11-K15 WeakPolarHBondContact O-CB 3.38Å; D11-K15 VanDerWaalsContact O-CG 3.24Å; D11-K15 WeakPolarHBondContact O-CG 3.39Å; D11-K15 PolarHBondContact O-N 2.86Å; T12-K15 WeakPolarHBondContact O-CB 3.01Å; T12-K15 PolarHBondContact O-N 3.01Å; K15-R18 PolarHBondContact O-N 3.28Å; K15-V19 PolarHBondContact O-N 2.82Å |
| 16 | E | 96 | Very high | 94.2 | Very high | 114 Ų | 114 | 75.4 Ų | 75.4 | 53% | 0.533 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 176.6 | -69.5 | 176.6 | 178.1 | 0 | 0 | 111.9 | T12 L13 R18 V19 S20 | T12-E16 WeakPolarHBondContact O-CG 3.4Å; T12-E16 PolarHBondContact O-N 3.08Å; L13-E16 PolarHBondContact O-N 2.89Å; E16-R18 VanDerWaalsContact C-N 3.34Å; E16-R18 PolarHBondContact O-N 2.9Å; E16-V19 WeakPolarHBondContact O-CG2 3.49Å; E16-V19 PolarHBondContact O-N 3.37Å; E16-S20 PolarHBondContact O-N 2.98Å; E16-S20 VanDerWaalsContact O-N 3.07Å |
| 17 | A | 97.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 73.2 Ų | 73.2 | 7% | 0.066 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L13 R14 V19 S20 C23 V55 Q58 V59 | L13-A17 VanDerWaalsContact O-CB 3.25Å; L13-A17 WeakPolarHBondContact O-CB 3.05Å; L13-A17 PolarHBondContact O-N 3.38Å; R14-A17 PolarHBondContact O-N 3.49Å; A17-V19 VanDerWaalsContact C-N 3.35Å; A17-V19 PolarHBondContact O-N 3.4Å; A17-S20 VanDerWaalsContact O-CB 3.3Å; A17-S20 WeakPolarHBondContact O-CB 3.38Å; A17-S20 PolarHBondContact O-N 3.16Å; A17-S20 PolarHBondContact O-OG 3.37Å; A17-C23 VanDerWaalsContact O-CB 3.31Å; A17-C23 WeakPolarHBondContact O-CB 3.3Å; A17-V55 HydrophobicContact CB-CB 4.44Å; A17-V55 HydrophobicContact CB-CG1 4.07Å; A17-V55 HydrophobicContact CB-CG2 4.36Å; A17-Q58 HydrophobicContact CB-CB 4.01Å; A17-V59 HydrophobicContact CB-CG2 3.89Å |
| 18 | R | 96.5 | Very high | 95.8 | Very high | 113 Ų | 113 | 73.8 Ų | 73.8 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 178.4 | -77.8 | 174.8 | -171.5 | -172.2 | 3.7 | 113.3 | R14 K15 E16 V55 | R14-R18 VanDerWaalsContact O-CG 3.26Å; R14-R18 WeakPolarHBondContact O-CG 2.88Å; R14-R18 PolarHBondContact O-N 2.79Å; K15-R18 PolarHBondContact O-N 3.28Å; E16-R18 VanDerWaalsContact C-N 3.34Å; E16-R18 PolarHBondContact O-N 2.9Å; R18-V55 HydrophobicContact CB-CG2 4.42Å; R18-V55 HydrophobicContact CG-CG2 3.57Å |
| 19 | V | 95.5 | Very high | 96.3 | Very high | 110 Ų | 110 | 75 Ų | 75 | 67% | 0.667 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -91 | -2.7 | -179.4 | -58.4 | 0 | 0 | 0 | 0 | 113.3 | K15 E16 A17 | K15-V19 PolarHBondContact O-N 2.82Å; E16-V19 WeakPolarHBondContact O-CG2 3.49Å; E16-V19 PolarHBondContact O-N 3.37Å; A17-V19 VanDerWaalsContact C-N 3.35Å; A17-V19 PolarHBondContact O-N 3.4Å |
| 20 | S | 96.6 | Very high | 96.5 | Very high | 32 Ų | 32 | 74.3 Ų | 74.3 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -61.9 | 152.5 | 177.2 | 75.7 | 0 | 0 | 0 | 0 | 111.6 | E16 A17 H22 C23 S24 | E16-S20 PolarHBondContact O-N 2.98Å; E16-S20 VanDerWaalsContact O-N 3.07Å; A17-S20 VanDerWaalsContact O-CB 3.3Å; A17-S20 WeakPolarHBondContact O-CB 3.38Å; A17-S20 PolarHBondContact O-N 3.16Å; A17-S20 PolarHBondContact O-OG 3.37Å; S20-H22 PolarHBondContact O-N 3.34Å; S20-C23 PolarHBondContact O-N 2.84Å; S20-C23 VanDerWaalsContact O-N 3.16Å; S20-C23 PolarHBondContact OG-N 3.15Å; S20-S24 VanDerWaalsContact O-CB 3.26Å; S20-S24 WeakPolarHBondContact O-CB 3.39Å; S20-S24 PolarHBondContact O-N 3.34Å; S20-S24 PolarHBondContact O-OG 3.04Å |
| 21 | H | 97.1 | Very high | 96.8 | Very high | 163 Ų | 163 | 78 Ų | 78 | 76% | 0.755 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -29.2 | 175.9 | -178 | -68.3 | 0 | 0 | 0 | 112.8 | ||
| 22 | H | 96.1 | Very high | 97 | Very high | 122 Ų | 122 | 77.9 Ų | 77.9 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -39.1 | -179.5 | -69.3 | -56.9 | 0 | 0 | 0 | 113 | S20 | S20-H22 PolarHBondContact O-N 3.34Š|
| 23 | C | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -13.9 | -176.1 | -52.8 | 0 | 0 | 0 | 0 | 114.5 | A17 S20 P25 F26 L27 L51 C54 V55 | A17-C23 VanDerWaalsContact O-CB 3.31Å; A17-C23 WeakPolarHBondContact O-CB 3.3Å; S20-C23 PolarHBondContact O-N 2.84Å; S20-C23 VanDerWaalsContact O-N 3.16Å; S20-C23 PolarHBondContact OG-N 3.15Å; C23-P25 VanDerWaalsContact C-N 3.31Å; C23-F26 PolarHBondContact O-N 2.89Å; C23-L27 PolarHBondContact O-N 2.81Å; C23-L27 VanDerWaalsContact O-N 3.11Å; C23-L51 HydrophobicContact CB-CD1 4.31Å; C23-C54 WeakPolarHBondContact CA-SG 3.5Å; C23-C54 HydrophobicContact CB-CB 3.92Å; C23-C54 WeakPolarHBondContact CB-SG 3.43Å; C23-C54 WeakPolarHBondContact SG-CB 3.26Å; C23-C54 CovalentContact SG-SG 2.05Å; C23-C54 PolarHBondContact SG-SG 3.25Å; C23-V55 HydrophobicContact CB-CG2 4.49Å |
| 24 | S | 97.6 | Very high | 97.2 | Very high | 48 Ų | 48 | 75.7 Ų | 75.7 | 34% | 0.336 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.7 | -33.1 | 178.1 | 69.1 | 0 | 0 | 0 | 0 | 114.6 | S20 F26 L27 K28 | S20-S24 VanDerWaalsContact O-CB 3.26Å; S20-S24 WeakPolarHBondContact O-CB 3.39Å; S20-S24 PolarHBondContact O-N 3.34Å; S20-S24 PolarHBondContact O-OG 3.04Å; S24-F26 VanDerWaalsContact C-N 3.34Å; S24-F26 PolarHBondContact O-N 3.31Å; S24-L27 PolarHBondContact O-N 3.22Å; S24-K28 PolarHBondContact O-N 3.36Å |
| 25 | P | 98.3 | Very high | 97.2 | Very high | 67 Ų | 67 | 76.8 Ų | 76.8 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.4 | -35.4 | 174.5 | -21.8 | 35.6 | 0 | 0 | 0 | 113.1 | C23 K28 K29 | C23-P25 VanDerWaalsContact C-N 3.31Å; P25-K28 PolarHBondContact O-N 3.03Å; P25-K29 WeakPolarHBondContact O-CG 3.39Å; P25-K29 PolarHBondContact O-N 3.39Å; P25-K29 VanDerWaalsContact O-N 3.09Å |
| 26 | F | 98.4 | Very high | 97.3 | Very high | 58 Ų | 58 | 74.5 Ų | 74.5 | 25% | 0.254 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.6 | -38.4 | 176.9 | -60.1 | -72.2 | 0 | 0 | 0 | 111.3 | C23 S24 K28 K29 L30 D50 L51 C54 | C23-F26 PolarHBondContact O-N 2.89Å; S24-F26 VanDerWaalsContact C-N 3.34Å; S24-F26 PolarHBondContact O-N 3.31Å; F26-K28 VanDerWaalsContact C-N 3.33Å; F26-K28 PolarHBondContact O-N 2.95Å; F26-K29 PolarHBondContact O-N 3.36Å; F26-L30 PolarHBondContact O-N 2.9Å; F26-D50 HydrophobicContact CD1-CB 3.7Å; F26-D50 HydrophobicContact CE1-CB 4.14Å; F26-D50 HydrophobicContact CG-CB 4.43Å; F26-L51 HydrophobicContact CB-CB 4.09Å; F26-L51 HydrophobicContact CB-CD1 4.13Å; F26-C54 HydrophobicContact CD2-CB 3.81Å; F26-C54 HydrophobicContact CE2-CB 4Å |
| 27 | L | 98.1 | Very high | 97.2 | Very high | 41 Ų | 41 | 73.4 Ų | 73.4 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 172.8 | 179.3 | 60.1 | 0 | 0 | 0 | 111 | C23 S24 K29 L30 E31 L51 | C23-L27 PolarHBondContact O-N 2.81Å; C23-L27 VanDerWaalsContact O-N 3.11Å; S24-L27 PolarHBondContact O-N 3.22Å; L27-K29 PolarHBondContact O-N 2.91Å; L27-L30 WeakPolarHBondContact O-CB 3.42Å; L27-L30 PolarHBondContact O-N 3.37Å; L27-E31 HydrophobicContact CD1-CG 4.49Å; L27-E31 WeakPolarHBondContact O-CG 3.44Å; L27-E31 PolarHBondContact O-N 3.47Å; L27-L51 HydrophobicContact CB-CD1 4.07Å; L27-L51 HydrophobicContact CB-CD2 4.43Å; L27-L51 HydrophobicContact CD1-CD2 3.9Å |
| 28 | K | 98.2 | Very high | 97 | Very high | 119 Ų | 119 | 77.7 Ų | 77.7 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.1 | -167.7 | 176.4 | -172.7 | -82.6 | 0 | 112.6 | S24 P25 F26 E31 E32 | S24-K28 PolarHBondContact O-N 3.36Å; P25-K28 PolarHBondContact O-N 3.03Å; F26-K28 VanDerWaalsContact C-N 3.33Å; F26-K28 PolarHBondContact O-N 2.95Å; K28-E31 PolarHBondContact O-N 2.98Å; K28-E32 IonicContact NZ-OE1 2.66Å; K28-E32 PolarHBondContact NZ-OE1 3.11Å; K28-E32 WeakPolarHBondContact O-CB 3.4Å; K28-E32 VanDerWaalsContact O-CG 3.27Å; K28-E32 WeakPolarHBondContact O-CG 3.27Å; K28-E32 PolarHBondContact O-N 3.48Å |
| 29 | K | 98 | Very high | 96.9 | Very high | 100 Ų | 100 | 81.5 Ų | 81.5 | 44% | 0.435 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.3 | -73.8 | 179.1 | 177.7 | -174.4 | 0 | 112 | P25 F26 L27 E32 C33 E47 | P25-K29 WeakPolarHBondContact O-CG 3.39Å; P25-K29 PolarHBondContact O-N 3.39Å; P25-K29 VanDerWaalsContact O-N 3.09Å; F26-K29 PolarHBondContact O-N 3.36Å; L27-K29 PolarHBondContact O-N 2.91Å; K29-E32 PolarHBondContact O-N 3.42Å; K29-C33 WeakPolarHBondContact O-CB 3.41Å; K29-C33 PolarHBondContact O-N 3.3Å; K29-E47 HydrophobicContact CB-CG 3.93Å |
| 30 | L | 98.2 | Very high | 96.9 | Very high | 41 Ų | 41 | 79.4 Ų | 79.4 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.9 | 179.3 | 60.7 | 0 | 0 | 0 | 111.5 | F26 L27 C33 G34 C44 E47 L48 L51 | F26-L30 PolarHBondContact O-N 2.9Å; L27-L30 WeakPolarHBondContact O-CB 3.42Å; L27-L30 PolarHBondContact O-N 3.37Å; L30-C33 PolarHBondContact O-N 3.19Å; L30-G34 PolarHBondContact O-N 2.99Å; L30-C44 HydrophobicContact CD1-CB 4.05Å; L30-E47 HydrophobicContact CB-CB 4Å; L30-E47 HydrophobicContact CD1-CB 3.99Å; L30-L48 HydrophobicContact CD1-CB 4.25Å; L30-L48 HydrophobicContact CD2-CD1 4.23Å; L30-L51 HydrophobicContact CD2-CD2 3.64Å |
| 31 | E | 97.7 | Very high | 96.8 | Very high | 113 Ų | 113 | 88.3 Ų | 88.3 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 174.7 | -70.6 | 171.9 | 171.6 | 0 | 0 | 111.5 | L27 K28 C33 G34 D35 | L27-E31 HydrophobicContact CD1-CG 4.49Å; L27-E31 WeakPolarHBondContact O-CG 3.44Å; L27-E31 PolarHBondContact O-N 3.47Å; K28-E31 PolarHBondContact O-N 2.98Å; E31-C33 VanDerWaalsContact C-N 3.28Å; E31-C33 PolarHBondContact O-N 3.09Å; E31-G34 PolarHBondContact O-N 2.81Å; E31-G34 VanDerWaalsContact O-N 3.16Å; E31-D35 PolarHBondContact O-N 3.36Å |
| 32 | E | 97.8 | Very high | 96.7 | Very high | 78 Ų | 78 | 83.1 Ų | 83.1 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.2 | -35.9 | 177 | -74.2 | 172.3 | -173.1 | 0 | 0 | 112.5 | K28 K29 R36 | K28-E32 IonicContact NZ-OE1 2.66Å; K28-E32 PolarHBondContact NZ-OE1 3.11Å; K28-E32 WeakPolarHBondContact O-CB 3.4Å; K28-E32 VanDerWaalsContact O-CG 3.27Å; K28-E32 WeakPolarHBondContact O-CG 3.27Å; K28-E32 PolarHBondContact O-N 3.48Å; K29-E32 PolarHBondContact O-N 3.42Å; E32-R36 WeakPolarHBondContact O-CG 3.26Å; E32-R36 PolarHBondContact O-N 3.02Å; E32-R36 PolarHBondContact O-NH1 3.37Å; E32-R36 VanDerWaalsContact O-NH1 3.15Å |
| 33 | C | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.1 | -46.8 | 173.5 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | K29 L30 E31 D35 R36 Q37 C44 E47 | K29-C33 WeakPolarHBondContact O-CB 3.41Å; K29-C33 PolarHBondContact O-N 3.3Å; L30-C33 PolarHBondContact O-N 3.19Å; E31-C33 VanDerWaalsContact C-N 3.28Å; E31-C33 PolarHBondContact O-N 3.09Å; C33-D35 VanDerWaalsContact C-N 3.26Å; C33-D35 PolarHBondContact O-N 2.66Å; C33-R36 CarbonylContact O-C 3.57Å; C33-R36 PolarHBondContact O-N 3.45Å; C33-Q37 WeakPolarHBondContact O-CB 3.39Å; C33-Q37 PolarHBondContact O-N 2.98Å; C33-C44 HydrophobicContact CB-CB 3.82Å; C33-C44 WeakPolarHBondContact CB-SG 3.26Å; C33-C44 PolarHBondContact O-SG 3.04Å; C33-C44 WeakPolarHBondContact SG-CA 3.31Å; C33-C44 WeakPolarHBondContact SG-CB 3.25Å; C33-C44 CovalentContact SG-SG 2.04Å; C33-C44 PolarHBondContact SG-SG 3.33Å; C33-E47 HydrophobicContact CB-CG 4.27Å |
| 34 | G | 96.7 | Very high | 96.7 | Very high | 35 Ų | 35 | 81.6 Ų | 81.6 | 36% | 0.361 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.1 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L30 E31 R36 Q37 | L30-G34 PolarHBondContact O-N 2.99Å; E31-G34 PolarHBondContact O-N 2.81Å; E31-G34 VanDerWaalsContact O-N 3.16Å; G34-R36 VanDerWaalsContact C-N 3.29Å; G34-R36 PolarHBondContact O-N 3.2Å; G34-Q37 PolarHBondContact O-N 3.38Å |
| 35 | D | 96.6 | Very high | 96.8 | Very high | 108 Ų | 108 | 85.5 Ų | 85.5 | 58% | 0.578 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.7 | -33.1 | 175.7 | -76.8 | -17.5 | 0 | 0 | 0 | 113.2 | E31 C33 S38 R39 | E31-D35 PolarHBondContact O-N 3.36Å; C33-D35 VanDerWaalsContact C-N 3.26Å; C33-D35 PolarHBondContact O-N 2.66Å; D35-S38 PolarHBondContact O-OG 3.43Å; D35-S38 VanDerWaalsContact O-OG 3.08Å; D35-R39 PolarHBondContact O-NE 3Å; D35-R39 PolarHBondContact O-NH2 2.92Å |
| 36 | R | 96.5 | Very high | 96.8 | Very high | 94 Ų | 94 | 89.2 Ų | 89.2 | 36% | 0.355 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -86.1 | -32.3 | 176.9 | -64.6 | -171.4 | -48.3 | -92 | 4.4 | 112.2 | E32 C33 G34 S38 R39 T40 E42 | E32-R36 WeakPolarHBondContact O-CG 3.26Å; E32-R36 PolarHBondContact O-N 3.02Å; E32-R36 PolarHBondContact O-NH1 3.37Å; E32-R36 VanDerWaalsContact O-NH1 3.15Å; C33-R36 CarbonylContact O-C 3.57Å; C33-R36 PolarHBondContact O-N 3.45Å; G34-R36 VanDerWaalsContact C-N 3.29Å; G34-R36 PolarHBondContact O-N 3.2Å; R36-S38 PolarHBondContact O-N 2.84Å; R36-S38 VanDerWaalsContact O-N 3.12Å; R36-R39 CarbonylContact O-C 3.51Å; R36-R39 WeakPolarHBondContact O-CA 3.49Å; R36-R39 PolarHBondContact O-N 2.87Å; R36-T40 HydrophobicContact CB-CG2 4.36Å; R36-T40 WeakPolarHBondContact O-CG2 3.42Å; R36-T40 PolarHBondContact O-N 3.43Å; R36-T40 PolarHBondContact O-OG1 3.4Å; R36-E42 VanDerWaalsContact C-OE1 3.31Å; R36-E42 WeakPolarHBondContact CB-OE1 3.24Å; R36-E42 IonicContact CZ-OE2 3.08Å; R36-E42 IonicContact NE-OE1 2.82Å; R36-E42 PolarHBondContact NE-OE1 3.14Å; R36-E42 IonicContact NE-OE2 3.92Å; R36-E42 PolarHBondContact NE-OE2 3.01Å; R36-E42 VanDerWaalsContact NE-OE2 3.08Å; R36-E42 IonicContact NH2-OE2 3.38Å; R36-E42 PolarHBondContact NH2-OE2 3.28Å |
| 37 | Q | 94.7 | Very high | 96.8 | Very high | 92 Ų | 92 | 88.3 Ų | 88.3 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -55.5 | -34.1 | -178.8 | -174.1 | 172.8 | 49.4 | 0 | 0 | 112.5 | C33 G34 R39 T40 E42 | C33-Q37 WeakPolarHBondContact O-CB 3.39Å; C33-Q37 PolarHBondContact O-N 2.98Å; G34-Q37 PolarHBondContact O-N 3.38Å; Q37-R39 PolarHBondContact O-N 3.4Å; Q37-T40 PolarHBondContact O-N 2.99Å; Q37-T40 VanDerWaalsContact O-O 3.08Å; Q37-E42 HydrophobicContact CB-CG 4.49Å; Q37-E42 PolarHBondContact N-OE1 3.4Å; Q37-E42 PolarHBondContact NE2-O 2.85Å; Q37-E42 VanDerWaalsContact NE2-O 3.16Å |
| 38 | S | 91.2 | Very high | 96.8 | Very high | 98 Ų | 98 | 90.1 Ų | 90.1 | 69% | 0.685 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.5 | 173.5 | 64 | 0 | 0 | 0 | 0 | 114.6 | D35 R36 | D35-S38 PolarHBondContact O-OG 3.43Å; D35-S38 VanDerWaalsContact O-OG 3.08Å; R36-S38 PolarHBondContact O-N 2.84Å; R36-S38 VanDerWaalsContact O-N 3.12Å |
| 39 | R | 95.7 | Very high | 96.8 | Very high | 192 Ų | 192 | 88.6 Ų | 88.6 | 73% | 0.725 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | -6.2 | -174.5 | -66.8 | 172.2 | -74.1 | 177.2 | -2.8 | 113 | D35 R36 Q37 | D35-R39 PolarHBondContact O-NE 3Å; D35-R39 PolarHBondContact O-NH2 2.92Å; R36-R39 CarbonylContact O-C 3.51Å; R36-R39 WeakPolarHBondContact O-CA 3.49Å; R36-R39 PolarHBondContact O-N 2.87Å; Q37-R39 PolarHBondContact O-N 3.4Å |
| 40 | T | 95.2 | Very high | 96.8 | Very high | 66 Ų | 66 | 86.7 Ų | 86.7 | 41% | 0.405 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -125.4 | -178.4 | -176.6 | 70.2 | 0 | 0 | 0 | 0 | 110 | R36 Q37 E42 | R36-T40 HydrophobicContact CB-CG2 4.36Å; R36-T40 WeakPolarHBondContact O-CG2 3.42Å; R36-T40 PolarHBondContact O-N 3.43Å; R36-T40 PolarHBondContact O-OG1 3.4Å; Q37-T40 PolarHBondContact O-N 2.99Å; Q37-T40 VanDerWaalsContact O-O 3.08Å; T40-E42 WeakPolarHBondContact CG2-OE1 3.37Å; T40-E42 WeakPolarHBondContact OG1-CB 3.43Å; T40-E42 VanDerWaalsContact OG1-CD 3.31Å; T40-E42 VanDerWaalsContact OG1-CG 3.27Å; T40-E42 WeakPolarHBondContact OG1-CG 3.28Å; T40-E42 PolarHBondContact OG1-N 3.45Å; T40-E42 PolarHBondContact OG1-OE1 2.84Å |
| 41 | K | 94 | Very high | 96.8 | Very high | 219 Ų | 219 | 85.1 Ų | 85.1 | 95% | 0.952 | 43% | 0.43 | S | S | * | . | trans | -108.1 | 23.3 | 166.7 | -63.9 | -174.8 | 178.9 | -178.4 | 0 | 110.9 | ||||
| 42 | E | 95.7 | Very high | 96.9 | Very high | 55 Ų | 55 | 83 Ų | 83 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | trans | -73 | 150.5 | -178.4 | 86.7 | -158.4 | 101.6 | 0 | 0 | 111 | R36 Q37 T40 | R36-E42 VanDerWaalsContact C-OE1 3.31Å; R36-E42 WeakPolarHBondContact CB-OE1 3.24Å; R36-E42 IonicContact CZ-OE2 3.08Å; R36-E42 IonicContact NE-OE1 2.82Å; R36-E42 PolarHBondContact NE-OE1 3.14Å; R36-E42 IonicContact NE-OE2 3.92Å; R36-E42 PolarHBondContact NE-OE2 3.01Å; R36-E42 VanDerWaalsContact NE-OE2 3.08Å; R36-E42 IonicContact NH2-OE2 3.38Å; R36-E42 PolarHBondContact NH2-OE2 3.28Å; Q37-E42 HydrophobicContact CB-CG 4.49Å; Q37-E42 PolarHBondContact N-OE1 3.4Å; Q37-E42 PolarHBondContact NE2-O 2.85Å; Q37-E42 VanDerWaalsContact NE2-O 3.16Å; T40-E42 WeakPolarHBondContact CG2-OE1 3.37Å; T40-E42 WeakPolarHBondContact OG1-CB 3.43Å; T40-E42 VanDerWaalsContact OG1-CD 3.31Å; T40-E42 VanDerWaalsContact OG1-CG 3.27Å; T40-E42 WeakPolarHBondContact OG1-CG 3.28Å; T40-E42 PolarHBondContact OG1-N 3.45Å; T40-E42 PolarHBondContact OG1-OE1 2.84Å | ||
| 43 | S | 97.2 | Very high | 96.9 | Very high | 77 Ų | 77 | 81.5 Ų | 81.5 | 54% | 0.538 | 43% | 0.427 | S | S | . | . | trans | -99.8 | 134.1 | 169.9 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | E45 | S43-E45 VanDerWaalsContact C-N 3.31Å; S43-E45 WeakPolarHBondContact OG-CB 3.14Å; S43-E45 PolarHBondContact OG-N 2.05Å | ||
| 44 | C | 97.8 | Very high | 96.9 | Very high | 12 Ų | 12 | 82.3 Ų | 82.3 | 8% | 0.081 | 43% | 0.433 | C | S | . | . | trans | -96.7 | 20.5 | 174.1 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | L30 C33 E46 E47 L48 | L30-C44 HydrophobicContact CD1-CB 4.05Å; C33-C44 HydrophobicContact CB-CB 3.82Å; C33-C44 WeakPolarHBondContact CB-SG 3.26Å; C33-C44 PolarHBondContact O-SG 3.04Å; C33-C44 WeakPolarHBondContact SG-CA 3.31Å; C33-C44 WeakPolarHBondContact SG-CB 3.25Å; C33-C44 CovalentContact SG-SG 2.04Å; C33-C44 PolarHBondContact SG-SG 3.33Å; C44-E46 VanDerWaalsContact C-N 3.32Å; C44-E47 WeakPolarHBondContact CA-OE2 3.35Å; C44-L48 WeakPolarHBondContact O-CB 3.08Å; C44-L48 PolarHBondContact O-N 3.44Å | ||
| 45 | E | 98.1 | Very high | 97 | Very high | 131 Ų | 131 | 80.8 Ų | 80.8 | 61% | 0.612 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.5 | -36.1 | -178.9 | -176.1 | 175.1 | -174 | 0 | 0 | 111.8 | S43 L48 V49 | S43-E45 VanDerWaalsContact C-N 3.31Å; S43-E45 WeakPolarHBondContact OG-CB 3.14Å; S43-E45 PolarHBondContact OG-N 2.05Å; E45-L48 PolarHBondContact O-N 3.48Å; E45-V49 HydrophobicContact CG-CG2 4.44Å; E45-V49 WeakPolarHBondContact O-CB 3.25Å; E45-V49 VanDerWaalsContact O-CG2 3.3Å; E45-V49 WeakPolarHBondContact O-CG2 3.39Å; E45-V49 PolarHBondContact O-N 3.48Å |
| 46 | E | 98.3 | Very high | 97 | Very high | 145 Ų | 145 | 79.1 Ų | 79.1 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.5 | -51.1 | 176.3 | -173.9 | 175.6 | 165.7 | 0 | 0 | 111 | C44 L48 V49 D50 | C44-E46 VanDerWaalsContact C-N 3.32Å; E46-L48 VanDerWaalsContact C-N 3.25Å; E46-L48 PolarHBondContact O-N 2.89Å; E46-V49 PolarHBondContact O-N 2.85Å; E46-D50 WeakPolarHBondContact O-CB 3.43Å; E46-D50 PolarHBondContact O-N 3.27Å |
| 47 | E | 98.3 | Very high | 97.1 | Very high | 38 Ų | 38 | 80 Ų | 80 | 18% | 0.178 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.6 | -33.5 | 177 | -67.9 | 79.9 | -178.8 | 0 | 0 | 112.6 | K29 L30 C33 C44 L51 | K29-E47 HydrophobicContact CB-CG 3.93Å; L30-E47 HydrophobicContact CB-CB 4Å; L30-E47 HydrophobicContact CD1-CB 3.99Å; C33-E47 HydrophobicContact CB-CG 4.27Å; C44-E47 WeakPolarHBondContact CA-OE2 3.35Å; E47-L51 WeakPolarHBondContact O-CB 3.12Å; E47-L51 PolarHBondContact O-N 2.84Å |
| 48 | L | 98.4 | Very high | 97.2 | Very high | 79 Ų | 79 | 77.7 Ų | 77.7 | 41% | 0.414 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.2 | -48.9 | 174.9 | 178.1 | 63.2 | 0 | 0 | 0 | 111.2 | L30 C44 E45 E46 D50 L51 L52 | L30-L48 HydrophobicContact CD1-CB 4.25Å; L30-L48 HydrophobicContact CD2-CD1 4.23Å; C44-L48 WeakPolarHBondContact O-CB 3.08Å; C44-L48 PolarHBondContact O-N 3.44Å; E45-L48 PolarHBondContact O-N 3.48Å; E46-L48 VanDerWaalsContact C-N 3.25Å; E46-L48 PolarHBondContact O-N 2.89Å; L48-D50 VanDerWaalsContact C-N 3.33Å; L48-L51 PolarHBondContact O-N 3.03Å; L48-L52 HydrophobicContact CD1-CD1 4.16Å; L48-L52 HydrophobicContact CD1-CG 4.25Å; L48-L52 HydrophobicContact CG-CD1 4.05Å; L48-L52 WeakPolarHBondContact O-CB 3.37Å; L48-L52 VanDerWaalsContact O-CG 3.26Å; L48-L52 WeakPolarHBondContact O-CG 3.49Å; L48-L52 PolarHBondContact O-N 2.65Å |
| 49 | V | 98.5 | Very high | 97.5 | Very high | 87 Ų | 87 | 73.3 Ų | 73.3 | 53% | 0.527 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 179 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | E45 E46 L52 G53 | E45-V49 HydrophobicContact CG-CG2 4.44Å; E45-V49 WeakPolarHBondContact O-CB 3.25Å; E45-V49 VanDerWaalsContact O-CG2 3.3Å; E45-V49 WeakPolarHBondContact O-CG2 3.39Å; E45-V49 PolarHBondContact O-N 3.48Å; E46-V49 PolarHBondContact O-N 2.85Å; V49-L52 PolarHBondContact O-N 3.11Å; V49-G53 PolarHBondContact O-N 3.01Å |
| 50 | D | 98.5 | Very high | 97.5 | Very high | 61 Ų | 61 | 66.9 Ų | 66.9 | 33% | 0.326 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 174.8 | -87.8 | -2.1 | 0 | 0 | 0 | 112.1 | F26 E46 L48 G53 C54 | F26-D50 HydrophobicContact CD1-CB 3.7Å; F26-D50 HydrophobicContact CE1-CB 4.14Å; F26-D50 HydrophobicContact CG-CB 4.43Å; E46-D50 WeakPolarHBondContact O-CB 3.43Å; E46-D50 PolarHBondContact O-N 3.27Å; L48-D50 VanDerWaalsContact C-N 3.33Å; D50-G53 PolarHBondContact O-N 3.37Å; D50-C54 PolarHBondContact O-N 2.88Å |
| 51 | L | 98.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 177.2 | 176.3 | 61.7 | 0 | 0 | 0 | 111 | C23 F26 L27 L30 E47 L48 C54 V55 | C23-L51 HydrophobicContact CB-CD1 4.31Å; F26-L51 HydrophobicContact CB-CB 4.09Å; F26-L51 HydrophobicContact CB-CD1 4.13Å; L27-L51 HydrophobicContact CB-CD1 4.07Å; L27-L51 HydrophobicContact CB-CD2 4.43Å; L27-L51 HydrophobicContact CD1-CD2 3.9Å; L30-L51 HydrophobicContact CD2-CD2 3.64Å; E47-L51 WeakPolarHBondContact O-CB 3.12Å; E47-L51 PolarHBondContact O-N 2.84Å; L48-L51 PolarHBondContact O-N 3.03Å; L51-C54 PolarHBondContact O-N 3.46Å; L51-V55 HydrophobicContact CD1-CG2 4.03Å; L51-V55 HydrophobicContact CG-CG2 4.39Å; L51-V55 WeakPolarHBondContact O-CB 3.14Å; L51-V55 VanDerWaalsContact O-CG2 3.25Å; L51-V55 WeakPolarHBondContact O-CG2 3.37Å; L51-V55 PolarHBondContact O-N 3.5Å |
| 52 | L | 98.2 | Very high | 97.4 | Very high | 69 Ų | 69 | 62.3 Ų | 62.3 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 178.4 | -72.7 | 175.6 | 0 | 0 | 0 | 111.5 | L48 V49 C54 V55 D56 | L48-L52 HydrophobicContact CD1-CD1 4.16Å; L48-L52 HydrophobicContact CD1-CG 4.25Å; L48-L52 HydrophobicContact CG-CD1 4.05Å; L48-L52 WeakPolarHBondContact O-CB 3.37Å; L48-L52 VanDerWaalsContact O-CG 3.26Å; L48-L52 WeakPolarHBondContact O-CG 3.49Å; L48-L52 PolarHBondContact O-N 2.65Å; V49-L52 PolarHBondContact O-N 3.11Å; L52-C54 VanDerWaalsContact C-N 3.32Å; L52-C54 PolarHBondContact O-N 3.03Å; L52-V55 PolarHBondContact O-N 3.44Å; L52-D56 WeakPolarHBondContact O-CB 3.25Å; L52-D56 PolarHBondContact O-N 3.41Å |
| 53 | G | 98.1 | Very high | 97.3 | Very high | 45 Ų | 45 | 60.6 Ų | 60.6 | 46% | 0.464 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.9 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V49 D50 H57 | V49-G53 PolarHBondContact O-N 3.01Å; D50-G53 PolarHBondContact O-N 3.37Å; G53-H57 VanDerWaalsContact O-CB 3.28Å; G53-H57 WeakPolarHBondContact O-CB 3.47Å; G53-H57 PolarHBondContact O-N 2.98Å |
| 54 | C | 98.6 | Very high | 97.2 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 12% | 0.122 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.1 | -49.2 | 174.2 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | C23 F26 D50 L51 L52 H57 Q58 | C23-C54 WeakPolarHBondContact CA-SG 3.5Å; C23-C54 HydrophobicContact CB-CB 3.92Å; C23-C54 WeakPolarHBondContact CB-SG 3.43Å; C23-C54 WeakPolarHBondContact SG-CB 3.26Å; C23-C54 CovalentContact SG-SG 2.05Å; C23-C54 PolarHBondContact SG-SG 3.25Å; F26-C54 HydrophobicContact CD2-CB 3.81Å; F26-C54 HydrophobicContact CE2-CB 4Å; D50-C54 PolarHBondContact O-N 2.88Å; L51-C54 PolarHBondContact O-N 3.46Å; L52-C54 VanDerWaalsContact C-N 3.32Å; L52-C54 PolarHBondContact O-N 3.03Å; C54-H57 PolarHBondContact O-N 3.02Å; C54-Q58 WeakPolarHBondContact O-CG 3.46Å; C54-Q58 PolarHBondContact O-N 3.17Å |
| 55 | V | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.2 | -49.1 | -179.1 | 167.3 | 0 | 0 | 0 | 0 | 110.7 | R14 A17 R18 C23 L51 L52 H57 Q58 V59 | R14-V55 HydrophobicContact CB-CG1 4.15Å; R14-V55 HydrophobicContact CG-CG1 3.85Å; A17-V55 HydrophobicContact CB-CB 4.44Å; A17-V55 HydrophobicContact CB-CG1 4.07Å; A17-V55 HydrophobicContact CB-CG2 4.36Å; R18-V55 HydrophobicContact CB-CG2 4.42Å; R18-V55 HydrophobicContact CG-CG2 3.57Å; C23-V55 HydrophobicContact CB-CG2 4.49Å; L51-V55 HydrophobicContact CD1-CG2 4.03Å; L51-V55 HydrophobicContact CG-CG2 4.39Å; L51-V55 WeakPolarHBondContact O-CB 3.14Å; L51-V55 VanDerWaalsContact O-CG2 3.25Å; L51-V55 WeakPolarHBondContact O-CG2 3.37Å; L51-V55 PolarHBondContact O-N 3.5Å; L52-V55 PolarHBondContact O-N 3.44Å; V55-H57 VanDerWaalsContact C-N 3.31Å; V55-H57 PolarHBondContact O-N 3.07Å; V55-Q58 PolarHBondContact O-N 3.42Å; V55-Q58 VanDerWaalsContact O-N 3.14Å; V55-V59 HydrophobicContact CG1-CG2 4.09Å; V55-V59 WeakPolarHBondContact O-CB 3.3Å; V55-V59 VanDerWaalsContact O-CG2 3.25Å; V55-V59 WeakPolarHBondContact O-CG2 3.31Å; V55-V59 PolarHBondContact O-N 3.33Å |
| 56 | D | 97.9 | Very high | 96.5 | Very high | 74 Ų | 74 | 65.5 Ų | 65.5 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 179 | -72.7 | -20.5 | 0 | 0 | 0 | 111.2 | R14 L52 Q58 V59 A60 | R14-D56 IonicContact NH2-OD1 3.49Å; L52-D56 WeakPolarHBondContact O-CB 3.25Å; L52-D56 PolarHBondContact O-N 3.41Å; D56-Q58 PolarHBondContact O-N 3.39Å; D56-V59 PolarHBondContact O-N 3.07Å; D56-A60 WeakPolarHBondContact O-CB 3.26Å; D56-A60 PolarHBondContact O-N 3.07Å |
| 57 | H | 97.7 | Very high | 95.9 | Very high | 111 Ų | 111 | 63.2 Ų | 63.2 | 51% | 0.514 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 174.2 | 178.5 | 76.8 | 0 | 0 | 0 | 112.9 | G53 C54 V55 K61 | G53-H57 VanDerWaalsContact O-CB 3.28Å; G53-H57 WeakPolarHBondContact O-CB 3.47Å; G53-H57 PolarHBondContact O-N 2.98Å; C54-H57 PolarHBondContact O-N 3.02Å; V55-H57 VanDerWaalsContact C-N 3.31Å; V55-H57 PolarHBondContact O-N 3.07Å; H57-K61 PolarHBondContact CD2-NZ 2.69Å; H57-K61 WeakPolarHBondContact NE2-CE 3.15Å; H57-K61 PolarHBondContact NE2-NZ 3.34Å; H57-K61 WeakPolarHBondContact O-CE 3.47Å |
| 58 | Q | 96.7 | Very high | 94.8 | Very high | 44 Ų | 44 | 74.7 Ų | 74.7 | 21% | 0.206 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -73.5 | -45 | 176.8 | -62 | -53.3 | -27.4 | 0 | 0 | 111.8 | A17 C54 V55 D56 A60 K61 | A17-Q58 HydrophobicContact CB-CB 4.01Å; C54-Q58 WeakPolarHBondContact O-CG 3.46Å; C54-Q58 PolarHBondContact O-N 3.17Å; V55-Q58 PolarHBondContact O-N 3.42Å; V55-Q58 VanDerWaalsContact O-N 3.14Å; D56-Q58 PolarHBondContact O-N 3.39Å; Q58-A60 PolarHBondContact O-N 3.15Å; Q58-K61 WeakPolarHBondContact O-CB 3.34Å; Q58-K61 PolarHBondContact O-N 2.81Å |
| 59 | V | 96.9 | Very high | 94.6 | Very high | 7 Ų | 7 | 74.5 Ų | 74.5 | 4% | 0.042 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.4 | -37.9 | -179.2 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L10 L13 R14 A17 V55 D56 K61 T62 I63 | L10-V59 HydrophobicContact CD1-CG1 3.53Å; L13-V59 HydrophobicContact CB-CG1 4.19Å; L13-V59 HydrophobicContact CB-CG2 4.08Å; L13-V59 HydrophobicContact CD1-CG1 4.42Å; R14-V59 HydrophobicContact CG-CG2 4Å; A17-V59 HydrophobicContact CB-CG2 3.89Å; V55-V59 HydrophobicContact CG1-CG2 4.09Å; V55-V59 WeakPolarHBondContact O-CB 3.3Å; V55-V59 VanDerWaalsContact O-CG2 3.25Å; V55-V59 WeakPolarHBondContact O-CG2 3.31Å; V55-V59 PolarHBondContact O-N 3.33Å; D56-V59 PolarHBondContact O-N 3.07Å; V59-K61 PolarHBondContact O-N 3.16Å; V59-T62 PolarHBondContact O-N 3.08Å; V59-T62 PolarHBondContact O-OG1 3.46Å; V59-I63 HydrophobicContact CG1-CB 4.01Å; V59-I63 HydrophobicContact CG1-CD1 4.31Å; V59-I63 HydrophobicContact CG1-CG1 4.39Å; V59-I63 WeakPolarHBondContact O-CB 3.36Å; V59-I63 PolarHBondContact O-N 3.49Å |
| 60 | A | 95.7 | Very high | 94.4 | Very high | 57 Ų | 57 | 73.8 Ų | 73.8 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -25.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D56 Q58 T62 | D56-A60 WeakPolarHBondContact O-CB 3.26Å; D56-A60 PolarHBondContact O-N 3.07Å; Q58-A60 PolarHBondContact O-N 3.15Å; A60-T62 VanDerWaalsContact C-N 3.3Å; A60-T62 PolarHBondContact O-N 2.98Å |
| 61 | K | 94.5 | Very high | 94.2 | Very high | 128 Ų | 128 | 74.6 Ų | 74.6 | 56% | 0.557 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -24.4 | 178 | -62.8 | 170.7 | -172.1 | 166.3 | 0 | 113 | H57 Q58 V59 | H57-K61 PolarHBondContact CD2-NZ 2.69Å; H57-K61 WeakPolarHBondContact NE2-CE 3.15Å; H57-K61 PolarHBondContact NE2-NZ 3.34Å; H57-K61 WeakPolarHBondContact O-CE 3.47Å; Q58-K61 WeakPolarHBondContact O-CB 3.34Å; Q58-K61 PolarHBondContact O-N 2.81Å; V59-K61 PolarHBondContact O-N 3.16Å |
| 62 | T | 92.9 | Very high | 93.9 | Very high | 60 Ų | 60 | 78.5 Ų | 78.5 | 37% | 0.368 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -20 | -171.1 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | V59 A60 F64 S65 | V59-T62 PolarHBondContact O-N 3.08Å; V59-T62 PolarHBondContact O-OG1 3.46Å; A60-T62 VanDerWaalsContact C-N 3.3Å; A60-T62 PolarHBondContact O-N 2.98Å; T62-F64 VanDerWaalsContact C-N 3.28Å; T62-F64 PolarHBondContact O-N 3.07Å; T62-F64 VanDerWaalsContact O-N 3.16Å; T62-S65 WeakPolarHBondContact O-CB 3.45Å; T62-S65 PolarHBondContact O-N 2.79Å; T62-S65 PolarHBondContact O-OG 2.91Å |
| 63 | I | 94.7 | Very high | 93.6 | Very high | 20 Ų | 20 | 79.1 Ų | 79.1 | 10% | 0.103 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -57 | -39.1 | -172.4 | -168.6 | 59 | 0 | 0 | 0 | 113.1 | L10 L13 V59 S65 V66 L67 | L10-I63 HydrophobicContact CB-CD1 3.99Å; L10-I63 HydrophobicContact CD1-CD1 3.63Å; L10-I63 HydrophobicContact CD1-CG1 4.29Å; L10-I63 HydrophobicContact CG-CD1 4.36Å; L13-I63 HydrophobicContact CD1-CB 4.41Å; L13-I63 HydrophobicContact CD1-CD1 3.74Å; V59-I63 HydrophobicContact CG1-CB 4.01Å; V59-I63 HydrophobicContact CG1-CD1 4.31Å; V59-I63 HydrophobicContact CG1-CG1 4.39Å; V59-I63 WeakPolarHBondContact O-CB 3.36Å; V59-I63 PolarHBondContact O-N 3.49Å; I63-S65 PolarHBondContact O-N 3.29Å; I63-S65 VanDerWaalsContact O-N 3.15Å; I63-V66 HydrophobicContact CD1-CG2 3.95Å; I63-V66 WeakPolarHBondContact O-CG2 3.22Å; I63-V66 PolarHBondContact O-N 3.06Å; I63-V66 VanDerWaalsContact O-N 3.07Å; I63-L67 HydrophobicContact CD1-CD2 4.44Å; I63-L67 HydrophobicContact CD1-CG 4.31Å; I63-L67 HydrophobicContact CG1-CD1 3.78Å; I63-L67 HydrophobicContact CG1-CD2 4.46Å; I63-L67 HydrophobicContact CG1-CG 3.97Å; I63-L67 WeakPolarHBondContact O-CG 3.42Å; I63-L67 PolarHBondContact O-N 3.16Å; I63-L67 VanDerWaalsContact O-N 3.08Å |
| 64 | F | 93.5 | Very high | 93.3 | Very high | 166 Ų | 166 | 81.3 Ų | 81.3 | 73% | 0.728 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -69.3 | -10.4 | 179 | -66 | -69.2 | 0 | 0 | 0 | 114.3 | T62 L67 | T62-F64 VanDerWaalsContact C-N 3.28Å; T62-F64 PolarHBondContact O-N 3.07Å; T62-F64 VanDerWaalsContact O-N 3.16Å; F64-L67 HydrophobicContact CD1-CD1 3.98Å; F64-L67 HydrophobicContact CE1-CD1 4.2Å |
| 65 | S | 92.1 | Very high | 92.9 | Very high | 101 Ų | 101 | 85.9 Ų | 85.9 | 71% | 0.706 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -81.8 | -16.9 | 172.3 | 76.5 | 0 | 0 | 0 | 0 | 113.1 | T62 I63 | T62-S65 WeakPolarHBondContact O-CB 3.45Å; T62-S65 PolarHBondContact O-N 2.79Å; T62-S65 PolarHBondContact O-OG 2.91Å; I63-S65 PolarHBondContact O-N 3.29Å; I63-S65 VanDerWaalsContact O-N 3.15Å |
| 66 | V | 89.8 | Confident | 92.5 | Very high | 56 Ų | 56 | 92.3 Ų | 92.3 | 34% | 0.339 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -15.4 | -178.5 | -61.2 | 0 | 0 | 0 | 0 | 113.5 | P9 L13 I63 | P9-V66 HydrophobicContact CB-CB 3.74Å; P9-V66 HydrophobicContact CB-CG1 4.44Å; P9-V66 HydrophobicContact CB-CG2 3.54Å; P9-V66 HydrophobicContact CG-CB 4.31Å; P9-V66 HydrophobicContact CG-CG2 4.46Å; L13-V66 HydrophobicContact CD1-CG2 3.71Å; I63-V66 HydrophobicContact CD1-CG2 3.95Å; I63-V66 WeakPolarHBondContact O-CG2 3.22Å; I63-V66 PolarHBondContact O-N 3.06Å; I63-V66 VanDerWaalsContact O-N 3.07Å |
| 67 | L | 86.7 | Confident | 92.1 | Very high | 96 Ų | 96 | 93.8 Ų | 93.8 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | trans | -73.8 | 122.8 | 170.4 | -66.7 | 174.7 | 0 | 0 | 0 | 109.6 | I63 F64 | I63-L67 HydrophobicContact CD1-CD2 4.44Å; I63-L67 HydrophobicContact CD1-CG 4.31Å; I63-L67 HydrophobicContact CG1-CD1 3.78Å; I63-L67 HydrophobicContact CG1-CD2 4.46Å; I63-L67 HydrophobicContact CG1-CG 3.97Å; I63-L67 WeakPolarHBondContact O-CG 3.42Å; I63-L67 PolarHBondContact O-N 3.16Å; I63-L67 VanDerWaalsContact O-N 3.08Å; F64-L67 HydrophobicContact CD1-CD1 3.98Å; F64-L67 HydrophobicContact CE1-CD1 4.2Å | ||
| 68 | K | 73.9 | Confident | 91.6 | Very high | 280 Ų | 280 | 92.3 Ų | 92.3 | 100% | 1.217 | 48% | 0.476 | S | S | * | . | trans | -88.8 | 0 | 172.4 | -73 | -178.7 | -179.3 | 169.2 | 0 | 111.3 |
Retrieved 68 of 68 residues in 14.8 ms
(Link to these results)