| 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 | 61.9 | Low | 71.3 | Confident | 214 Ų | 214 | 138.2 Ų | 138.2 | 100% | 1.054 | 63% | 0.628 | S | S | * | * | 0 | -41.2 | 0 | -130.2 | 170.1 | -179.3 | 0 | 0 | 113 | R3 | M1-R3 PolarHBondContact O-N 3.37Š| |||
| 2 | F | 60.1 | Low | 72.3 | Confident | 192 Ų | 192 | 131.2 Ų | 131.2 | 84% | 0.842 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.1 | -35.6 | -177.1 | -64.6 | -76.8 | 0 | 0 | 0 | 116.6 | F5 Y6 | F2-F5 PolarHBondContact O-N 2.81Å; F2-Y6 PolarHBondContact O-N 3.26Å |
| 3 | R | 65.5 | Low | 73.2 | Confident | 203 Ų | 203 | 126.8 Ų | 126.8 | 77% | 0.766 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66 | -38.8 | -179.8 | -172.4 | 174.9 | -179.4 | -95.7 | 1.8 | 113.2 | M1 L7 | M1-R3 PolarHBondContact O-N 3.37Å; R3-L7 HydrophobicContact CG-CD1 4.25Å; R3-L7 WeakPolarHBondContact O-CD1 3.25Å; R3-L7 PolarHBondContact O-N 3.43Å |
| 4 | Q | 66.3 | Low | 74 | Confident | 117 Ų | 117 | 121 Ų | 121 | 55% | 0.547 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.8 | -44.1 | 176.9 | -166.7 | 73.2 | 4.6 | 0 | 0 | 110 | Y6 L7 W8 | Q4-Y6 PolarHBondContact O-N 2.91Å; Q4-L7 PolarHBondContact O-N 3.2Å; Q4-W8 PolarHBondContact O-N 3.23Å; Q4-W8 VanDerWaalsContact O-N 3.15Å |
| 5 | F | 68.4 | Low | 74.8 | Confident | 155 Ų | 155 | 120.3 Ų | 120.3 | 68% | 0.68 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.9 | -43.9 | 179.7 | -170.1 | -101.3 | 0 | 0 | 0 | 112.7 | F2 L7 W8 T9 | F2-F5 PolarHBondContact O-N 2.81Å; F5-L7 PolarHBondContact O-N 2.89Å; F5-W8 PolarHBondContact O-N 3.41Å; F5-T9 HydrophobicContact CD1-CG2 4.46Å; F5-T9 HydrophobicContact CE1-CG2 4.16Å; F5-T9 HydrophobicContact CZ-CG2 4.45Å; F5-T9 PolarHBondContact O-N 2.82Å; F5-T9 VanDerWaalsContact O-N 3.08Å; F5-T9 PolarHBondContact O-OG1 3.13Å |
| 6 | Y | 73.6 | Confident | 75.4 | Confident | 166 Ų | 166 | 119.9 Ų | 119.9 | 65% | 0.651 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.8 | -40.9 | 177.8 | -172.2 | -102.7 | 0 | 0 | 0 | 113.1 | F2 Q4 W8 T9 C10 | F2-Y6 PolarHBondContact O-N 3.26Å; Q4-Y6 PolarHBondContact O-N 2.91Å; Y6-W8 VanDerWaalsContact C-N 3.33Å; Y6-W8 PolarHBondContact O-N 3.36Å; Y6-T9 VanDerWaalsContact CA-OG1 3.29Å; Y6-T9 WeakPolarHBondContact CA-OG1 3.28Å; Y6-T9 PolarHBondContact O-N 2.89Å; Y6-T9 PolarHBondContact O-OG1 3.1Å; Y6-C10 WeakPolarHBondContact CE1-SG 3.34Å; Y6-C10 PolarHBondContact O-N 2.86Å; Y6-C10 PolarHBondContact O-SG 3.33Å |
| 7 | L | 77.3 | Confident | 75.8 | Confident | 72 Ų | 72 | 120.4 Ų | 120.4 | 38% | 0.377 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60 | -43.2 | 175.9 | -86.3 | 155.7 | 0 | 0 | 0 | 112.1 | R3 Q4 F5 C10 L11 | R3-L7 HydrophobicContact CG-CD1 4.25Å; R3-L7 WeakPolarHBondContact O-CD1 3.25Å; R3-L7 PolarHBondContact O-N 3.43Å; Q4-L7 PolarHBondContact O-N 3.2Å; F5-L7 PolarHBondContact O-N 2.89Å; L7-C10 PolarHBondContact O-N 3.45Å; L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 WeakPolarHBondContact O-CG 3.34Å; L7-L11 PolarHBondContact O-N 3.04Å |
| 8 | W | 73.3 | Confident | 76.1 | Confident | 173 Ų | 173 | 115.7 Ų | 115.7 | 66% | 0.655 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.5 | -37.5 | 179 | -77.1 | 65.3 | 0 | 0 | 0 | 112 | Q4 F5 Y6 L11 A12 | Q4-W8 PolarHBondContact O-N 3.23Å; Q4-W8 VanDerWaalsContact O-N 3.15Å; F5-W8 PolarHBondContact O-N 3.41Å; Y6-W8 VanDerWaalsContact C-N 3.33Å; Y6-W8 PolarHBondContact O-N 3.36Å; W8-L11 PolarHBondContact O-N 3.01Å; W8-A12 WeakPolarHBondContact O-CB 3.22Å; W8-A12 PolarHBondContact O-N 2.9Å |
| 9 | T | 78.5 | Confident | 76.1 | Confident | 62 Ų | 62 | 112.6 Ų | 112.6 | 38% | 0.38 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67 | -38.1 | 174.1 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | F5 Y6 S13 | F5-T9 HydrophobicContact CD1-CG2 4.46Å; F5-T9 HydrophobicContact CE1-CG2 4.16Å; F5-T9 HydrophobicContact CZ-CG2 4.45Å; F5-T9 PolarHBondContact O-N 2.82Å; F5-T9 VanDerWaalsContact O-N 3.08Å; F5-T9 PolarHBondContact O-OG1 3.13Å; Y6-T9 VanDerWaalsContact CA-OG1 3.29Å; Y6-T9 WeakPolarHBondContact CA-OG1 3.28Å; Y6-T9 PolarHBondContact O-N 2.89Å; Y6-T9 PolarHBondContact O-OG1 3.1Å; T9-S13 WeakPolarHBondContact O-CB 3.45Å; T9-S13 PolarHBondContact O-N 3.41Å |
| 10 | C | 78.7 | Confident | 76.1 | Confident | 59 Ų | 59 | 112.1 Ų | 112.1 | 40% | 0.399 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.6 | -41.3 | 175.9 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | Y6 L7 S13 G14 | Y6-C10 WeakPolarHBondContact CE1-SG 3.34Å; Y6-C10 PolarHBondContact O-N 2.86Å; Y6-C10 PolarHBondContact O-SG 3.33Å; L7-C10 PolarHBondContact O-N 3.45Å; C10-S13 PolarHBondContact O-N 3.26Å; C10-G14 PolarHBondContact O-N 2.99Å |
| 11 | L | 80.6 | Confident | 76 | Confident | 107 Ų | 107 | 113.2 Ų | 113.2 | 56% | 0.56 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.2 | -45.6 | 174.8 | -78.1 | 164.1 | 0 | 0 | 0 | 111.4 | L7 W8 S13 G14 I15 | L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 WeakPolarHBondContact O-CG 3.34Å; L7-L11 PolarHBondContact O-N 3.04Å; W8-L11 PolarHBondContact O-N 3.01Å; L11-S13 PolarHBondContact O-N 3.47Å; L11-G14 PolarHBondContact O-N 2.77Å; L11-I15 WeakPolarHBondContact O-CG1 3.31Å; L11-I15 PolarHBondContact O-N 3.2Å |
| 12 | A | 83.1 | Confident | 76.4 | Confident | 54 Ų | 54 | 110.2 Ų | 110.2 | 45% | 0.446 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.8 | -44.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W8 I15 I16 | W8-A12 WeakPolarHBondContact O-CB 3.22Å; W8-A12 PolarHBondContact O-N 2.9Å; A12-I15 PolarHBondContact O-N 3.31Å; A12-I16 VanDerWaalsContact O-CG1 3.28Å; A12-I16 WeakPolarHBondContact O-CG1 3.31Å; A12-I16 PolarHBondContact O-N 2.77Å; A12-I16 VanDerWaalsContact O-N 3.13Å |
| 13 | S | 83.9 | Confident | 77 | Confident | 75 Ų | 75 | 106.3 Ų | 106.3 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 176.9 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | T9 C10 L11 I15 I16 L17 | T9-S13 WeakPolarHBondContact O-CB 3.45Å; T9-S13 PolarHBondContact O-N 3.41Å; C10-S13 PolarHBondContact O-N 3.26Å; L11-S13 PolarHBondContact O-N 3.47Å; S13-I15 PolarHBondContact O-N 2.89Å; S13-I16 PolarHBondContact O-N 2.89Å; S13-L17 WeakPolarHBondContact O-CB 3.47Å; S13-L17 PolarHBondContact O-N 3.24Å |
| 14 | G | 84.9 | Confident | 77.2 | Confident | 45 Ų | 45 | 101.1 Ų | 101.1 | 46% | 0.464 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | C10 L11 G18 | C10-G14 PolarHBondContact O-N 2.99Å; L11-G14 PolarHBondContact O-N 2.77Å; G14-G18 PolarHBondContact O-N 2.87Å |
| 15 | I | 85.9 | Confident | 77.4 | Confident | 111 Ų | 111 | 101 Ų | 101 | 57% | 0.569 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.8 | -48.1 | 176.2 | -66.4 | 165 | 0 | 0 | 0 | 110.3 | L11 A12 S13 L17 G18 S19 | L11-I15 WeakPolarHBondContact O-CG1 3.31Å; L11-I15 PolarHBondContact O-N 3.2Å; A12-I15 PolarHBondContact O-N 3.31Å; S13-I15 PolarHBondContact O-N 2.89Å; I15-L17 PolarHBondContact O-N 3.04Å; I15-G18 PolarHBondContact O-N 3.14Å; I15-S19 WeakPolarHBondContact O-CB 3.33Å; I15-S19 PolarHBondContact O-N 2.98Å; I15-S19 PolarHBondContact O-OG 2.85Å |
| 16 | I | 84.4 | Confident | 77.2 | Confident | 114 Ų | 114 | 95.3 Ų | 95.3 | 59% | 0.585 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.8 | -47.2 | 179.8 | -63.7 | -74.1 | 0 | 0 | 0 | 110.9 | A12 S13 L20 | A12-I16 VanDerWaalsContact O-CG1 3.28Å; A12-I16 WeakPolarHBondContact O-CG1 3.31Å; A12-I16 PolarHBondContact O-N 2.77Å; A12-I16 VanDerWaalsContact O-N 3.13Å; S13-I16 PolarHBondContact O-N 2.89Å; I16-L20 HydrophobicContact CG2-CD1 4.22Å; I16-L20 WeakPolarHBondContact O-CB 3.36Å; I16-L20 PolarHBondContact O-N 2.97Å |
| 17 | L | 82.4 | Confident | 76.4 | Confident | 127 Ų | 127 | 96 Ų | 96 | 67% | 0.665 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.1 | -40 | -178.8 | -166 | 73.1 | 0 | 0 | 0 | 111.9 | S13 I15 F21 | S13-L17 WeakPolarHBondContact O-CB 3.47Å; S13-L17 PolarHBondContact O-N 3.24Å; I15-L17 PolarHBondContact O-N 3.04Å; L17-F21 WeakPolarHBondContact O-CB 3.49Å; L17-F21 PolarHBondContact O-N 3.02Å; L17-F21 VanDerWaalsContact O-N 3.09Å |
| 18 | G | 80.1 | Confident | 75.6 | Confident | 36 Ų | 36 | 100.1 Ų | 100.1 | 37% | 0.371 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G14 I15 L20 F21 E22 | G14-G18 PolarHBondContact O-N 2.87Å; I15-G18 PolarHBondContact O-N 3.14Å; G18-L20 PolarHBondContact O-N 2.84Å; G18-F21 WeakPolarHBondContact O-CB 3.34Å; G18-F21 PolarHBondContact O-N 3.24Å; G18-E22 PolarHBondContact O-N 2.99Å; G18-E22 VanDerWaalsContact O-N 3.1Å |
| 19 | S | 76.2 | Confident | 75.3 | Confident | 57 Ų | 57 | 99.1 Ų | 99.1 | 40% | 0.399 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.4 | -40 | 177.7 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | I15 F21 E22 I23 | I15-S19 WeakPolarHBondContact O-CB 3.33Å; I15-S19 PolarHBondContact O-N 2.98Å; I15-S19 PolarHBondContact O-OG 2.85Å; S19-F21 VanDerWaalsContact C-N 3.3Å; S19-F21 PolarHBondContact O-N 3.46Å; S19-E22 PolarHBondContact O-N 3.45Å; S19-I23 WeakPolarHBondContact O-CD1 3.36Å; S19-I23 VanDerWaalsContact O-CG1 3.32Å; S19-I23 WeakPolarHBondContact O-CG1 3.38Å; S19-I23 PolarHBondContact O-N 3.18Å |
| 20 | L | 76.4 | Confident | 74.8 | Confident | 102 Ų | 102 | 102.8 Ų | 102.8 | 53% | 0.534 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.6 | -38.3 | 175.3 | -114.9 | 127.1 | 0 | 0 | 0 | 111.8 | I16 G18 I23 C24 | I16-L20 HydrophobicContact CG2-CD1 4.22Å; I16-L20 WeakPolarHBondContact O-CB 3.36Å; I16-L20 PolarHBondContact O-N 2.97Å; G18-L20 PolarHBondContact O-N 2.84Å; L20-I23 PolarHBondContact O-N 3.05Å; L20-C24 WeakPolarHBondContact O-CB 3.15Å; L20-C24 PolarHBondContact O-N 3.1Å; L20-C24 PolarHBondContact O-SG 3.09Å |
| 21 | F | 74.4 | Confident | 74.9 | Confident | 137 Ų | 137 | 102.8 Ų | 102.8 | 60% | 0.601 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66 | -41.9 | 179.3 | -170.2 | -106.7 | 0 | 0 | 0 | 112.3 | L17 G18 S19 C24 L25 | L17-F21 WeakPolarHBondContact O-CB 3.49Å; L17-F21 PolarHBondContact O-N 3.02Å; L17-F21 VanDerWaalsContact O-N 3.09Å; G18-F21 WeakPolarHBondContact O-CB 3.34Å; G18-F21 PolarHBondContact O-N 3.24Å; S19-F21 VanDerWaalsContact C-N 3.3Å; S19-F21 PolarHBondContact O-N 3.46Å; F21-C24 PolarHBondContact O-N 3.46Å; F21-L25 HydrophobicContact CD1-CD1 3.87Å; F21-L25 HydrophobicContact CD2-CD1 4.08Å; F21-L25 HydrophobicContact CD2-CG 4.5Å; F21-L25 HydrophobicContact CE1-CD1 3.33Å; F21-L25 HydrophobicContact CE2-CD1 3.56Å; F21-L25 HydrophobicContact CE2-CG 4.3Å; F21-L25 HydrophobicContact CG-CD1 4.24Å; F21-L25 HydrophobicContact CZ-CD1 3.17Å; F21-L25 HydrophobicContact CZ-CG 4.33Å; F21-L25 WeakPolarHBondContact O-CB 3.41Å; F21-L25 WeakPolarHBondContact O-CG 3.45Å; F21-L25 PolarHBondContact O-N 3.23Å |
| 22 | E | 70.9 | Confident | 75.3 | Confident | 151 Ų | 151 | 102.9 Ų | 102.9 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.2 | -37.6 | 176.4 | -69.5 | -164.7 | 143.8 | 0 | 0 | 112.8 | G18 S19 G26 | G18-E22 PolarHBondContact O-N 2.99Å; G18-E22 VanDerWaalsContact O-N 3.1Å; S19-E22 PolarHBondContact O-N 3.45Å; E22-G26 WeakPolarHBondContact O-CA 3.29Å; E22-G26 PolarHBondContact O-N 3.04Å |
| 23 | I | 72.3 | Confident | 75.7 | Confident | 109 Ų | 109 | 105.3 Ų | 105.3 | 56% | 0.559 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.2 | -40.4 | 177.2 | -63.6 | 164.5 | 0 | 0 | 0 | 111.1 | S19 L20 | S19-I23 WeakPolarHBondContact O-CD1 3.36Å; S19-I23 VanDerWaalsContact O-CG1 3.32Å; S19-I23 WeakPolarHBondContact O-CG1 3.38Å; S19-I23 PolarHBondContact O-N 3.18Å; L20-I23 PolarHBondContact O-N 3.05Å |
| 24 | C | 70.5 | Confident | 76.2 | Confident | 95 Ų | 95 | 107.2 Ų | 107.2 | 64% | 0.642 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.1 | -26.9 | -179.8 | -69.5 | 0 | 0 | 0 | 0 | 113.7 | L20 F21 | L20-C24 WeakPolarHBondContact O-CB 3.15Å; L20-C24 PolarHBondContact O-N 3.1Å; L20-C24 PolarHBondContact O-SG 3.09Å; F21-C24 PolarHBondContact O-N 3.46Å |
| 25 | L | 68.8 | Low | 76.6 | Confident | 113 Ų | 113 | 107.6 Ų | 107.6 | 59% | 0.592 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -100.7 | -10.5 | 177.8 | -65.3 | -174.3 | 0 | 0 | 0 | 114 | F21 Q27 | F21-L25 HydrophobicContact CD1-CD1 3.87Å; F21-L25 HydrophobicContact CD2-CD1 4.08Å; F21-L25 HydrophobicContact CD2-CG 4.5Å; F21-L25 HydrophobicContact CE1-CD1 3.33Å; F21-L25 HydrophobicContact CE2-CD1 3.56Å; F21-L25 HydrophobicContact CE2-CG 4.3Å; F21-L25 HydrophobicContact CG-CD1 4.24Å; F21-L25 HydrophobicContact CZ-CD1 3.17Å; F21-L25 HydrophobicContact CZ-CG 4.33Å; F21-L25 WeakPolarHBondContact O-CB 3.41Å; F21-L25 WeakPolarHBondContact O-CG 3.45Å; F21-L25 PolarHBondContact O-N 3.23Å; L25-Q27 PolarHBondContact O-N 3.46Å |
| 26 | G | 65.4 | Low | 77 | Confident | 37 Ų | 37 | 108.1 Ų | 108.1 | 38% | 0.381 | 59% | 0.593 | S | S | . | * | trans | -59.4 | 111.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | E22 Y28 | E22-G26 WeakPolarHBondContact O-CA 3.29Å; E22-G26 PolarHBondContact O-N 3.04Å; G26-Y28 PolarHBondContact O-N 3.49Å | ||
| 27 | Q | 57.4 | Low | 77.5 | Confident | 180 Ų | 180 | 106.1 Ų | 106.1 | 84% | 0.841 | 58% | 0.583 | S | S | * | * | trans | -66.7 | 88.3 | 165.2 | -67.6 | 179.8 | -53.7 | 0 | 0 | 106.6 | L25 D29 | L25-Q27 PolarHBondContact O-N 3.46Å; Q27-D29 VanDerWaalsContact C-N 3.29Å; Q27-D29 PolarHBondContact O-N 3Å | ||
| 28 | Y | 60.2 | Low | 78.1 | Confident | 159 Ų | 159 | 102.8 Ų | 102.8 | 62% | 0.624 | 57% | 0.565 | S | S | * | * | trans | -65.9 | 96.6 | 165.1 | -84.1 | -91.1 | 0 | 0 | 0 | 106.7 | G26 D30 | G26-Y28 PolarHBondContact O-N 3.49Å; Y28-D30 PolarHBondContact O-N 2.88Å | ||
| 29 | D | 65.9 | Low | 78.7 | Confident | 151 Ų | 151 | 107.6 Ų | 107.6 | 81% | 0.807 | 58% | 0.581 | S | S | * | * | trans | -69.2 | 75 | 161.4 | -76.1 | -46.8 | 0 | 0 | 0 | 107.1 | Q27 G31 | Q27-D29 VanDerWaalsContact C-N 3.29Å; Q27-D29 PolarHBondContact O-N 3Å; D29-G31 PolarHBondContact O-N 3.13Å | ||
| 30 | D | 68.4 | Low | 79.6 | Confident | 139 Ų | 139 | 108.2 Ų | 108.2 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | trans | -68.5 | 5.3 | -175.9 | -84.5 | -19.4 | 0 | 0 | 0 | 113.5 | Y28 | Y28-D30 PolarHBondContact O-N 2.88Š| ||
| 31 | G | 81.4 | Confident | 80.5 | Confident | 59 Ų | 59 | 112.4 Ų | 112.4 | 61% | 0.608 | 59% | 0.593 | S | S | * | * | trans | -83.1 | 114.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D29 | D29-G31 PolarHBondContact O-N 3.13Š| ||
| 32 | T | 89.3 | Confident | 81.3 | Confident | 110 Ų | 110 | 107.4 Ų | 107.4 | 68% | 0.675 | 58% | 0.58 | S | S | * | * | trans | -86 | 127.6 | 163.9 | -60.7 | 0 | 0 | 0 | 0 | 108.8 | L34 | T32-L34 PolarHBondContact O-N 3.39Å; T32-L34 VanDerWaalsContact O-N 3.14Å | ||
| 33 | I | 91.3 | Very high | 82.4 | Confident | 105 Ų | 105 | 104.3 Ų | 104.3 | 54% | 0.538 | 57% | 0.572 | S | S | . | * | trans | -66 | 115.1 | 174.5 | -59.6 | 172.2 | 0 | 0 | 0 | 108.3 | D36 M71 L72 | I33-D36 HydrophobicContact CG2-CB 4.26Å; I33-M71 HydrophobicContact CD1-SD 4.12Å; I33-M71 HydrophobicContact CG1-SD 4.3Å; I33-M71 HydrophobicContact CG2-CG 4.23Å; I33-M71 HydrophobicContact CG2-SD 4.4Å; I33-L72 CarbonylContact C-O 3.55Å | ||
| 34 | L | 93.1 | Very high | 83.4 | Confident | 114 Ų | 114 | 100.2 Ų | 100.2 | 60% | 0.597 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -86.3 | -40.5 | 173.9 | -59.9 | -178.7 | 0 | 0 | 0 | 110.2 | T32 V63 L72 | T32-L34 PolarHBondContact O-N 3.39Å; T32-L34 VanDerWaalsContact O-N 3.14Å; L34-V63 HydrophobicContact CD1-CG2 4.19Å; L34-L72 HydrophobicContact CB-CB 4.45Å; L34-L72 PolarHBondContact N-O 3.4Å |
| 35 | V | 94.5 | Very high | 84.4 | Confident | 54 Ų | 54 | 96.4 Ų | 96.4 | 33% | 0.327 | 53% | 0.531 | S | S | . | . | trans | -141.3 | 119.6 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | M38 M71 L72 | V35-M38 HydrophobicContact CG1-CG 4.07Å; V35-M71 WeakPolarHBondContact O-CA 3.49Å; V35-M71 WeakPolarHBondContact O-CG 3.19Å; V35-L72 HydrophobicContact CB-CB 4.19Å; V35-L72 HydrophobicContact CB-CD1 4.41Å; V35-L72 HydrophobicContact CB-CG 4.47Å; V35-L72 HydrophobicContact CG2-CD1 4.31Å; V35-L72 PolarHBondContact N-O 3.46Å; V35-L72 PolarHBondContact O-N 3.44Å | ||
| 36 | D | 94.2 | Very high | 85.5 | Confident | 122 Ų | 122 | 94 Ų | 94 | 65% | 0.652 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -72.4 | -39 | -179.2 | 64.5 | -25.8 | 0 | 0 | 0 | 112.9 | I33 | I33-D36 HydrophobicContact CG2-CB 4.26Š|
| 37 | N | 93.8 | Very high | 86.8 | Confident | 71 Ų | 71 | 98.2 Ų | 98.2 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | trans | -154.7 | 120.9 | 176.8 | -168.9 | -29.6 | 0 | 0 | 0 | 111.3 | L39 Q70 | N37-L39 HydrophobicContact CB-CD2 4.45Å; N37-L39 PolarHBondContact O-N 2.91Å; N37-L39 WeakPolarHBondContact OD1-CA 3.4Å; N37-L39 PolarHBondContact OD1-N 2.94Å; N37-Q70 CarbonylContact C-O 3.45Å; N37-Q70 WeakPolarHBondContact CA-O 3.36Å | ||
| 38 | M | 94.8 | Very high | 88.6 | Confident | 58 Ų | 58 | 96.1 Ų | 96.1 | 29% | 0.286 | 55% | 0.549 | S | S | . | . | trans | -70.4 | -10.6 | 178 | -66.2 | -175.8 | -77.4 | 0 | 0 | 114.3 | V35 I40 L53 M65 Q70 L72 | V35-M38 HydrophobicContact CG1-CG 4.07Å; M38-I40 HydrophobicContact CB-CD1 3.83Å; M38-I40 HydrophobicContact CB-CG1 3.82Å; M38-I40 HydrophobicContact CE-CD1 4.08Å; M38-I40 PolarHBondContact O-N 3.47Å; M38-I40 HydrophobicContact SD-CD1 3.98Å; M38-L53 HydrophobicContact CE-CD1 3.98Å; M38-M65 HydrophobicContact CE-CG 4.48Å; M38-M65 HydrophobicContact CE-SD 3.78Å; M38-Q70 HydrophobicContact CB-CB 4.33Å; M38-Q70 HydrophobicContact CE-CB 4.07Å; M38-Q70 WeakPolarHBondContact CG-O 3.43Å; M38-Q70 PolarHBondContact N-O 3.27Å; M38-L72 HydrophobicContact SD-CD1 4.22Å; M38-L72 HydrophobicContact SD-CG 4.39Å | ||
| 39 | L | 94.4 | Very high | 90.2 | Very high | 137 Ų | 137 | 92.1 Ų | 92.1 | 72% | 0.717 | 54% | 0.542 | S | S | * | . | trans | 56.6 | 29.8 | -179.8 | -59.3 | 173.9 | 0 | 0 | 0 | 113.7 | N37 | N37-L39 HydrophobicContact CB-CD2 4.45Å; N37-L39 PolarHBondContact O-N 2.91Å; N37-L39 WeakPolarHBondContact OD1-CA 3.4Å; N37-L39 PolarHBondContact OD1-N 2.94Å | ||
| 40 | I | 94.3 | Very high | 91.7 | Very high | 69 Ų | 69 | 89.7 Ų | 89.7 | 35% | 0.354 | 53% | 0.533 | S | S | . | . | trans | -74.9 | 130.5 | 178 | -60.4 | 171.4 | 0 | 0 | 0 | 108.6 | M38 G42 I51 L53 Q70 | M38-I40 HydrophobicContact CB-CD1 3.83Å; M38-I40 HydrophobicContact CB-CG1 3.82Å; M38-I40 HydrophobicContact CE-CD1 4.08Å; M38-I40 PolarHBondContact O-N 3.47Å; M38-I40 HydrophobicContact SD-CD1 3.98Å; I40-G42 PolarHBondContact O-N 2.98Å; I40-I51 HydrophobicContact CG2-CD1 3.86Å; I40-L53 HydrophobicContact CD1-CD1 4.4Å; I40-L53 HydrophobicContact CD1-CD2 3.71Å; I40-L53 HydrophobicContact CG2-CD2 4.46Å; I40-Q70 PolarHBondContact O-NE2 3.04Å; I40-Q70 PolarHBondContact O-OE1 3.42Å | ||
| 41 | K | 94.9 | Very high | 93 | Very high | 191 Ų | 191 | 85.4 Ų | 85.4 | 83% | 0.83 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -70 | 127.7 | 177.3 | -65.2 | -62.3 | -175.9 | -175.9 | 0 | 110.5 | ||
| 42 | G | 92.6 | Very high | 93.7 | Very high | 32 Ų | 32 | 91.1 Ų | 91.1 | 33% | 0.33 | 52% | 0.521 | S | S | . | . | S | Bend | trans | 123.1 | 168 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | I40 T50 Q70 | I40-G42 PolarHBondContact O-N 2.98Å; G42-T50 VanDerWaalsContact CA-OG1 3.28Å; G42-T50 WeakPolarHBondContact CA-OG1 3.32Å; G42-Q70 PolarHBondContact O-NE2 3.47Å |
| 43 | T | 93.5 | Very high | 93.9 | Very high | 85 Ų | 85 | 87.5 Ų | 87.5 | 52% | 0.521 | 50% | 0.497 | S | S | . | . | trans | -117.2 | 120.1 | -178.6 | -47.7 | 0 | 0 | 0 | 0 | 108.3 | G45 P49 T50 I51 | T43-G45 WeakPolarHBondContact CG2-O 3.38Å; T43-P49 CarbonylContact O-C 3.58Å; T43-P49 VanDerWaalsContact O-CA 3.25Å; T43-P49 WeakPolarHBondContact O-CA 3.4Å; T43-P49 WeakPolarHBondContact O-CB 3.48Å; T43-T50 PolarHBondContact N-OG1 2.9Å; T43-T50 PolarHBondContact O-N 2.94Å; T43-I51 PolarHBondContact O-N 3.32Å | ||
| 44 | A | 93.1 | Very high | 94 | Very high | 23 Ų | 23 | 86.1 Ų | 86.1 | 19% | 0.19 | 50% | 0.496 | C | S | . | . | trans | -92.8 | -5.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I51 L53 P67 | A44-I51 WeakPolarHBondContact CA-O 3.48Å; A44-I51 HydrophobicContact CB-CG1 4.18Å; A44-L53 HydrophobicContact CB-CD1 4.37Å; A44-L53 HydrophobicContact CB-CG 4.42Å; A44-P67 HydrophobicContact CB-CB 4.32Å; A44-P67 WeakPolarHBondContact CB-O 3.46Å | ||
| 45 | G | 91.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 83.7 Ų | 83.7 | 17% | 0.165 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -125.7 | 173.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T43 | T43-G45 WeakPolarHBondContact CG2-O 3.38Š|
| 46 | G | 91.8 | Very high | 94.2 | Very high | 61 Ų | 61 | 88.9 Ų | 88.9 | 63% | 0.629 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 92.1 | -178.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D48 | G46-D48 VanDerWaalsContact C-N 3.3Å; G46-D48 PolarHBondContact O-N 3.4Å |
| 47 | P | 93.3 | Very high | 94.3 | Very high | 126 Ų | 126 | 90.4 Ų | 90.4 | 82% | 0.818 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -68.5 | -27 | -175.6 | 26.8 | -34 | 0 | 0 | 0 | 113.5 | ||
| 48 | D | 94.9 | Very high | 94.3 | Very high | 137 Ų | 137 | 89 Ų | 89 | 73% | 0.733 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -130.4 | 73.7 | -177.3 | -60.9 | -61 | 0 | 0 | 0 | 110.8 | G46 | G46-D48 VanDerWaalsContact C-N 3.3Å; G46-D48 PolarHBondContact O-N 3.4Å |
| 49 | P | 94.3 | Very high | 94.3 | Very high | 75 Ų | 75 | 91.1 Ų | 91.1 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | trans | -67.4 | 139.2 | 177.4 | 29.1 | -33.8 | 0 | 0 | 0 | 110.7 | T43 | T43-P49 CarbonylContact O-C 3.58Å; T43-P49 VanDerWaalsContact O-CA 3.25Å; T43-P49 WeakPolarHBondContact O-CA 3.4Å; T43-P49 WeakPolarHBondContact O-CB 3.48Å | ||
| 50 | T | 96.7 | Very high | 94.3 | Very high | 100 Ų | 100 | 90.5 Ų | 90.5 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -98.2 | -17.7 | 178.8 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | G42 T43 | G42-T50 VanDerWaalsContact CA-OG1 3.28Å; G42-T50 WeakPolarHBondContact CA-OG1 3.32Å; T43-T50 PolarHBondContact N-OG1 2.9Å; T43-T50 PolarHBondContact O-N 2.94Å |
| 51 | I | 96.1 | Very high | 94.2 | Very high | 48 Ų | 48 | 96.4 Ų | 96.4 | 25% | 0.246 | 54% | 0.535 | C | S | . | . | trans | -140.2 | 160.2 | 179 | 62.2 | 170.8 | 0 | 0 | 0 | 110.1 | I40 T43 A44 L53 | I40-I51 HydrophobicContact CG2-CD1 3.86Å; T43-I51 PolarHBondContact O-N 3.32Å; A44-I51 WeakPolarHBondContact CA-O 3.48Å; A44-I51 HydrophobicContact CB-CG1 4.18Å; I51-L53 HydrophobicContact CD1-CD1 4.48Å; I51-L53 HydrophobicContact CD1-CD2 4.36Å; I51-L53 HydrophobicContact CD1-CG 4.33Å | ||
| 52 | E | 94.9 | Very high | 94 | Very high | 180 Ų | 180 | 97.5 Ų | 97.5 | 84% | 0.841 | 53% | 0.534 | S | S | * | . | trans | -123.9 | 134.8 | 171 | -172.2 | -179.6 | 170.1 | 0 | 0 | 108.6 | ||||
| 53 | L | 94.9 | Very high | 94 | Very high | 34 Ų | 34 | 97.8 Ų | 97.8 | 18% | 0.178 | 53% | 0.529 | C | S | . | . | trans | -115 | 129.1 | 179.9 | -64.6 | 175.1 | 0 | 0 | 0 | 109.3 | M38 I40 A44 I51 M65 P67 Q70 | M38-L53 HydrophobicContact CE-CD1 3.98Å; I40-L53 HydrophobicContact CD1-CD1 4.4Å; I40-L53 HydrophobicContact CD1-CD2 3.71Å; I40-L53 HydrophobicContact CG2-CD2 4.46Å; A44-L53 HydrophobicContact CB-CD1 4.37Å; A44-L53 HydrophobicContact CB-CG 4.42Å; I51-L53 HydrophobicContact CD1-CD1 4.48Å; I51-L53 HydrophobicContact CD1-CD2 4.36Å; I51-L53 HydrophobicContact CD1-CG 4.33Å; L53-M65 HydrophobicContact CB-CE 3.69Å; L53-M65 HydrophobicContact CB-SD 4.33Å; L53-M65 VanDerWaalsContact O-CE 3.31Å; L53-M65 WeakPolarHBondContact O-CE 3.36Å; L53-P67 HydrophobicContact CB-CB 3.92Å; L53-Q70 HydrophobicContact CD1-CG 3.86Å | ||
| 54 | S | 93.9 | Very high | 94 | Very high | 75 Ų | 75 | 99.8 Ų | 99.8 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | trans | -137.4 | 146.4 | 173.3 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | M65 | S54-M65 VanDerWaalsContact CA-CE 3.5Š| ||
| 55 | L | 95.1 | Very high | 94 | Very high | 64 Ų | 64 | 100.8 Ų | 100.8 | 34% | 0.335 | 54% | 0.537 | S | S | . | . | trans | -76.7 | 137.4 | 171.6 | -67.9 | 176.6 | 0 | 0 | 0 | 109.9 | N58 V63 M65 L72 | L55-N58 HydrophobicContact CB-CB 4.26Å; L55-V63 HydrophobicContact CD1-CB 4.32Å; L55-V63 HydrophobicContact CD1-CG1 4.11Å; L55-V63 WeakPolarHBondContact CD1-O 3.4Å; L55-V63 HydrophobicContact CD2-CG1 4.4Å; L55-M65 HydrophobicContact CD1-CB 3.8Å; L55-M65 HydrophobicContact CD2-CB 4.07Å; L55-M65 HydrophobicContact CD2-CE 4.48Å; L55-M65 HydrophobicContact CD2-SD 3.9Å; L55-M65 HydrophobicContact CG-CB 3.79Å; L55-M65 HydrophobicContact CG-CE 4.2Å; L55-M65 HydrophobicContact CG-SD 4.17Å; L55-L72 HydrophobicContact CD2-CD2 3.88Å | ||
| 56 | K | 95.8 | Very high | 94.1 | Very high | 162 Ų | 162 | 102.3 Ų | 102.3 | 70% | 0.704 | 54% | 0.542 | S | S | * | . | trans | -118.9 | 147.1 | 171.7 | -64.4 | -64.1 | 174.8 | -173.6 | 0 | 109.1 | N58 | K56-N58 PolarHBondContact O-N 3.48Å; K56-N58 VanDerWaalsContact O-N 3.13Å | ||
| 57 | D | 95.7 | Very high | 94.2 | Very high | 155 Ų | 155 | 101.7 Ų | 101.7 | 83% | 0.829 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 53.3 | 33.4 | 178.9 | -52.2 | -41.9 | 0 | 0 | 0 | 114.4 | V59 | D57-V59 PolarHBondContact O-N 2.96Š|
| 58 | N | 94.7 | Very high | 94.2 | Very high | 41 Ų | 41 | 100.4 Ų | 100.4 | 22% | 0.219 | 52% | 0.516 | C | S | . | . | trans | -77.1 | 71.4 | 175.2 | -171.8 | 23.8 | 0 | 0 | 0 | 110.5 | L55 K56 D60 Y61 V63 | L55-N58 HydrophobicContact CB-CB 4.26Å; K56-N58 PolarHBondContact O-N 3.48Å; K56-N58 VanDerWaalsContact O-N 3.13Å; N58-D60 PolarHBondContact O-N 3.08Å; N58-Y61 PolarHBondContact O-N 3.31Å; N58-V63 PolarHBondContact ND2-O 3.25Å; N58-V63 PolarHBondContact OD1-N 3.4Å | ||
| 59 | V | 94.9 | Very high | 94.2 | Very high | 103 Ų | 103 | 100.1 Ų | 100.1 | 62% | 0.624 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -58.3 | 134.1 | 179.1 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | D57 Y61 | D57-V59 PolarHBondContact O-N 2.96Å; V59-Y61 PolarHBondContact O-N 3.27Å |
| 60 | D | 94.5 | Very high | 94.1 | Very high | 124 Ų | 124 | 97.4 Ų | 97.4 | 66% | 0.663 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | 57.3 | 13.1 | -179.9 | -56.5 | -33.1 | 0 | 0 | 0 | 115.7 | N58 W62 | N58-D60 PolarHBondContact O-N 3.08Å; D60-W62 PolarHBondContact O-N 2.95Å |
| 61 | Y | 90.9 | Very high | 94 | Very high | 193 Ų | 193 | 95 Ų | 95 | 76% | 0.757 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | 57.1 | 31.4 | 175.3 | -54.6 | -84.6 | 0 | 0 | 0 | 115 | N58 V59 V63 | N58-Y61 PolarHBondContact O-N 3.31Å; V59-Y61 PolarHBondContact O-N 3.27Å; Y61-V63 PolarHBondContact O-N 2.76Å |
| 62 | W | 91.3 | Very high | 93.8 | Very high | 213 Ų | 213 | 95 Ų | 95 | 81% | 0.807 | 47% | 0.472 | S | S | * | . | trans | -64.5 | -26.9 | 179.7 | -73.3 | 105.4 | 0 | 0 | 0 | 113.9 | D60 | D60-W62 PolarHBondContact O-N 2.95Š| ||
| 63 | V | 92.6 | Very high | 93.7 | Very high | 38 Ų | 38 | 90.8 Ų | 90.8 | 23% | 0.23 | 45% | 0.454 | C | S | . | . | trans | -106.6 | 132.5 | -177.6 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | L34 L55 N58 Y61 L72 | L34-V63 HydrophobicContact CD1-CG2 4.19Å; L55-V63 HydrophobicContact CD1-CB 4.32Å; L55-V63 HydrophobicContact CD1-CG1 4.11Å; L55-V63 WeakPolarHBondContact CD1-O 3.4Å; L55-V63 HydrophobicContact CD2-CG1 4.4Å; N58-V63 PolarHBondContact ND2-O 3.25Å; N58-V63 PolarHBondContact OD1-N 3.4Å; Y61-V63 PolarHBondContact O-N 2.76Å; V63-L72 HydrophobicContact CG1-CB 4.19Å; V63-L72 HydrophobicContact CG1-CD2 3.93Å; V63-L72 HydrophobicContact CG1-CG 4.45Å | ||
| 64 | L | 92.9 | Very high | 93.7 | Very high | 127 Ų | 127 | 93.7 Ų | 93.7 | 67% | 0.665 | 47% | 0.468 | S | S | * | . | trans | -103.5 | 151.7 | 168.7 | -61.5 | 173.6 | 0 | 0 | 0 | 108.4 | L72 | L64-L72 WeakPolarHBondContact O-CA 3.48Å; L64-L72 WeakPolarHBondContact O-CD2 3.46Å | ||
| 65 | M | 93.5 | Very high | 93.7 | Very high | 44 Ų | 44 | 94.8 Ų | 94.8 | 22% | 0.217 | 47% | 0.465 | C | S | . | . | trans | -133.8 | 129.3 | 177 | -176.9 | 168.2 | 75.7 | 0 | 0 | 110.9 | M38 L53 S54 L55 P67 M71 L72 | M38-M65 HydrophobicContact CE-CG 4.48Å; M38-M65 HydrophobicContact CE-SD 3.78Å; L53-M65 HydrophobicContact CB-CE 3.69Å; L53-M65 HydrophobicContact CB-SD 4.33Å; L53-M65 VanDerWaalsContact O-CE 3.31Å; L53-M65 WeakPolarHBondContact O-CE 3.36Å; S54-M65 VanDerWaalsContact CA-CE 3.5Å; L55-M65 HydrophobicContact CD1-CB 3.8Å; L55-M65 HydrophobicContact CD2-CB 4.07Å; L55-M65 HydrophobicContact CD2-CE 4.48Å; L55-M65 HydrophobicContact CD2-SD 3.9Å; L55-M65 HydrophobicContact CG-CB 3.79Å; L55-M65 HydrophobicContact CG-CE 4.2Å; L55-M65 HydrophobicContact CG-SD 4.17Å; M65-P67 HydrophobicContact CE-CB 4.46Å; M65-P67 VanDerWaalsContact O-CD 3.31Å; M65-P67 WeakPolarHBondContact O-CD 3.36Å; M65-M71 WeakPolarHBondContact CA-O 3.29Å; M65-L72 HydrophobicContact CB-CD2 3.48Å; M65-L72 VanDerWaalsContact CB-CD2 3.48Å; M65-L72 HydrophobicContact CG-CD2 3.51Å; M65-L72 HydrophobicContact SD-CD2 3.85Å | ||
| 66 | D | 94.2 | Very high | 93.6 | Very high | 49 Ų | 49 | 96.6 Ų | 96.6 | 26% | 0.262 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -95.8 | 101 | 162.9 | -175.3 | -24.8 | 0 | 0 | 0 | 108.2 | V68 K69 Q70 M71 | D66-V68 PolarHBondContact O-N 3.44Å; D66-V68 PolarHBondContact OD1-N 3.22Å; D66-K69 HydrophobicContact CB-CB 4.19Å; D66-K69 PolarHBondContact O-N 3.15Å; D66-K69 PolarHBondContact OD1-N 3.38Å; D66-K69 WeakPolarHBondContact OD2-CD 3.32Å; D66-K69 WeakPolarHBondContact OD2-CE 3.35Å; D66-K69 VanDerWaalsContact OD2-CG 3.29Å; D66-K69 WeakPolarHBondContact OD2-CG 3.28Å; D66-K69 IonicContact OD2-NZ 3.73Å; D66-Q70 WeakPolarHBondContact O-CA 3.34Å; D66-Q70 PolarHBondContact O-N 3.49Å; D66-M71 HydrophobicContact CB-CB 4.49Å; D66-M71 PolarHBondContact N-O 3.37Å; D66-M71 PolarHBondContact O-N 3.32Å; D66-M71 VanDerWaalsContact O-N 3.1Å |
| 67 | P | 93 | Very high | 93.4 | Very high | 47 Ų | 47 | 92.5 Ų | 92.5 | 31% | 0.305 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.8 | -177.3 | 26.9 | -34.6 | 0 | 0 | 0 | 112.5 | A44 L53 M65 | A44-P67 HydrophobicContact CB-CB 4.32Å; A44-P67 WeakPolarHBondContact CB-O 3.46Å; L53-P67 HydrophobicContact CB-CB 3.92Å; M65-P67 HydrophobicContact CE-CB 4.46Å; M65-P67 VanDerWaalsContact O-CD 3.31Å; M65-P67 WeakPolarHBondContact O-CD 3.36Å |
| 68 | V | 94 | Very high | 93.3 | Very high | 99 Ų | 99 | 88.3 Ų | 88.3 | 60% | 0.6 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -41.9 | -178.7 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | D66 Q70 | D66-V68 PolarHBondContact O-N 3.44Å; D66-V68 PolarHBondContact OD1-N 3.22Å; V68-Q70 VanDerWaalsContact C-N 3.32Å |
| 69 | K | 93.4 | Very high | 93.2 | Very high | 132 Ų | 132 | 91.7 Ų | 91.7 | 57% | 0.574 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -10.4 | 174.7 | -63.5 | -177.5 | -167.7 | 163.7 | 0 | 113.4 | D66 M71 | D66-K69 HydrophobicContact CB-CB 4.19Å; D66-K69 PolarHBondContact O-N 3.15Å; D66-K69 PolarHBondContact OD1-N 3.38Å; D66-K69 WeakPolarHBondContact OD2-CD 3.32Å; D66-K69 WeakPolarHBondContact OD2-CE 3.35Å; D66-K69 VanDerWaalsContact OD2-CG 3.29Å; D66-K69 WeakPolarHBondContact OD2-CG 3.28Å; D66-K69 IonicContact OD2-NZ 3.73Å; K69-M71 HydrophobicContact CB-CB 4Å; K69-M71 PolarHBondContact O-N 3.23Å |
| 70 | Q | 93.6 | Very high | 93 | Very high | 18 Ų | 18 | 90.8 Ų | 90.8 | 8% | 0.084 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 41.5 | -171.1 | -54.9 | -170.3 | 0.1 | 0 | 0 | 112.3 | N37 M38 I40 G42 L53 D66 V68 | N37-Q70 CarbonylContact C-O 3.45Å; N37-Q70 WeakPolarHBondContact CA-O 3.36Å; M38-Q70 HydrophobicContact CB-CB 4.33Å; M38-Q70 HydrophobicContact CE-CB 4.07Å; M38-Q70 WeakPolarHBondContact CG-O 3.43Å; M38-Q70 PolarHBondContact N-O 3.27Å; I40-Q70 PolarHBondContact O-NE2 3.04Å; I40-Q70 PolarHBondContact O-OE1 3.42Å; G42-Q70 PolarHBondContact O-NE2 3.47Å; L53-Q70 HydrophobicContact CD1-CG 3.86Å; D66-Q70 WeakPolarHBondContact O-CA 3.34Å; D66-Q70 PolarHBondContact O-N 3.49Å; V68-Q70 VanDerWaalsContact C-N 3.32Å |
| 71 | M | 93.8 | Very high | 92.9 | Very high | 50 Ų | 50 | 88.1 Ų | 88.1 | 25% | 0.246 | 42% | 0.416 | C | S | . | . | B | Isolated β-bridge | trans | -116.8 | 143.5 | -171.8 | -170.4 | 177.4 | 75.5 | 0 | 0 | 110.7 | I33 V35 M65 D66 K69 | I33-M71 HydrophobicContact CD1-SD 4.12Å; I33-M71 HydrophobicContact CG1-SD 4.3Å; I33-M71 HydrophobicContact CG2-CG 4.23Å; I33-M71 HydrophobicContact CG2-SD 4.4Å; V35-M71 WeakPolarHBondContact O-CA 3.49Å; V35-M71 WeakPolarHBondContact O-CG 3.19Å; M65-M71 WeakPolarHBondContact CA-O 3.29Å; D66-M71 HydrophobicContact CB-CB 4.49Å; D66-M71 PolarHBondContact N-O 3.37Å; D66-M71 PolarHBondContact O-N 3.32Å; D66-M71 VanDerWaalsContact O-N 3.1Å; K69-M71 HydrophobicContact CB-CB 4Å; K69-M71 PolarHBondContact O-N 3.23Å |
| 72 | L | 91.9 | Very high | 93.1 | Very high | 47 Ų | 47 | 78.5 Ų | 78.5 | 25% | 0.246 | 39% | 0.385 | C | S | . | . | trans | -121.1 | 0 | 176.6 | -58.2 | 176.1 | 0 | 0 | 0 | 111.2 | I33 L34 V35 M38 L55 V63 L64 M65 | I33-L72 CarbonylContact C-O 3.55Å; L34-L72 HydrophobicContact CB-CB 4.45Å; L34-L72 PolarHBondContact N-O 3.4Å; V35-L72 HydrophobicContact CB-CB 4.19Å; V35-L72 HydrophobicContact CB-CD1 4.41Å; V35-L72 HydrophobicContact CB-CG 4.47Å; V35-L72 HydrophobicContact CG2-CD1 4.31Å; V35-L72 PolarHBondContact N-O 3.46Å; V35-L72 PolarHBondContact O-N 3.44Å; M38-L72 HydrophobicContact SD-CD1 4.22Å; M38-L72 HydrophobicContact SD-CG 4.39Å; L55-L72 HydrophobicContact CD2-CD2 3.88Å; V63-L72 HydrophobicContact CG1-CB 4.19Å; V63-L72 HydrophobicContact CG1-CD2 3.93Å; V63-L72 HydrophobicContact CG1-CG 4.45Å; L64-L72 WeakPolarHBondContact O-CA 3.48Å; L64-L72 WeakPolarHBondContact O-CD2 3.46Å; M65-L72 HydrophobicContact CB-CD2 3.48Å; M65-L72 VanDerWaalsContact CB-CD2 3.48Å; M65-L72 HydrophobicContact CG-CD2 3.51Å; M65-L72 HydrophobicContact SD-CD2 3.85Å |
Retrieved 72 of 72 residues in 30.1 ms
(Link to these results)