| 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 | 59.9 | Low | 80.3 | Confident | 198 Ų | 198 | 108.5 Ų | 108.5 | 98% | 0.975 | 60% | 0.598 | S | S | * | * | 0 | 15.3 | 0 | -66.5 | -69.3 | 144.6 | 0 | 0 | 116.3 | T5 | M1-T5 PolarHBondContact O-OG1 3.35Š| |||
| 2 | P | 68.6 | Low | 80.6 | Confident | 89 Ų | 89 | 101.9 Ų | 101.9 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -84.1 | -19.3 | 177.9 | 32.9 | -34.1 | 0 | 0 | 0 | 114.2 | T5 L6 | P2-T5 WeakPolarHBondContact CA-OG1 3.47Å; P2-T5 PolarHBondContact O-OG1 3.01Å; P2-L6 WeakPolarHBondContact O-CB 3.3Å; P2-L6 PolarHBondContact O-N 3.49Å |
| 3 | H | 74.3 | Confident | 80.8 | Confident | 155 Ų | 155 | 103.8 Ų | 103.8 | 72% | 0.718 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.7 | -35.2 | -179.7 | -70.6 | 26.6 | 0 | 0 | 0 | 112.2 | L6 L7 | H3-L6 PolarHBondContact O-N 3.04Å; H3-L7 WeakPolarHBondContact O-CB 3.48Å; H3-L7 PolarHBondContact O-N 3.44Å |
| 4 | S | 77 | Confident | 80.9 | Confident | 71 Ų | 71 | 104.3 Ų | 104.3 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.8 | -41.6 | 179.2 | -170.9 | 0 | 0 | 0 | 0 | 112 | L7 L8 | S4-L7 PolarHBondContact O-N 3.04Å; S4-L8 WeakPolarHBondContact O-CG 3.49Å; S4-L8 PolarHBondContact O-N 3.46Å |
| 5 | T | 82.1 | Confident | 80.9 | Confident | 82 Ų | 82 | 100.9 Ų | 100.9 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.2 | -39.3 | 173.9 | 39.7 | 0 | 0 | 0 | 0 | 112.2 | M1 P2 L7 L8 C9 | M1-T5 PolarHBondContact O-OG1 3.35Å; P2-T5 WeakPolarHBondContact CA-OG1 3.47Å; P2-T5 PolarHBondContact O-OG1 3.01Å; T5-L7 VanDerWaalsContact C-N 3.34Å; T5-L7 PolarHBondContact O-N 3.38Å; T5-L8 PolarHBondContact O-N 3Å; T5-C9 PolarHBondContact O-N 3.23Å; T5-C9 PolarHBondContact O-SG 3.35Å |
| 6 | L | 85.3 | Confident | 80.6 | Confident | 119 Ų | 119 | 104.5 Ų | 104.5 | 62% | 0.623 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.1 | -41 | 175.5 | -164.7 | 125.3 | 0 | 0 | 0 | 111.8 | P2 H3 C9 V10 | P2-L6 WeakPolarHBondContact O-CB 3.3Å; P2-L6 PolarHBondContact O-N 3.49Å; H3-L6 PolarHBondContact O-N 3.04Å; L6-C9 PolarHBondContact O-N 3.38Å; L6-V10 VanDerWaalsContact O-CG2 3.32Å; L6-V10 WeakPolarHBondContact O-CG2 3.38Å; L6-V10 PolarHBondContact O-N 3.49Å |
| 7 | L | 86.6 | Confident | 80.2 | Confident | 110 Ų | 110 | 102.5 Ų | 102.5 | 58% | 0.576 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.8 | -43.8 | 176.3 | -125.7 | 133.3 | 0 | 0 | 0 | 112.1 | H3 S4 T5 V10 I11 | H3-L7 WeakPolarHBondContact O-CB 3.48Å; H3-L7 PolarHBondContact O-N 3.44Å; S4-L7 PolarHBondContact O-N 3.04Å; T5-L7 VanDerWaalsContact C-N 3.34Å; T5-L7 PolarHBondContact O-N 3.38Å; L7-V10 PolarHBondContact O-N 3.19Å; L7-I11 HydrophobicContact CD2-CD1 3.94Å; L7-I11 VanDerWaalsContact O-CG1 3.3Å; L7-I11 WeakPolarHBondContact O-CG1 3.38Å; L7-I11 PolarHBondContact O-N 3Å |
| 8 | L | 86.3 | Confident | 79.5 | Confident | 116 Ų | 116 | 101.1 Ų | 101.1 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.5 | -41 | 175.6 | -78.2 | 163.2 | 0 | 0 | 0 | 112.2 | S4 T5 I11 G12 | S4-L8 WeakPolarHBondContact O-CG 3.49Å; S4-L8 PolarHBondContact O-N 3.46Å; T5-L8 PolarHBondContact O-N 3Å; L8-I11 PolarHBondContact O-N 3.05Å; L8-G12 PolarHBondContact O-N 3.35Å |
| 9 | C | 85.9 | Confident | 78.7 | Confident | 81 Ų | 81 | 100.2 Ų | 100.2 | 55% | 0.547 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63 | -43.7 | 175.8 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | T5 L6 G12 L13 | T5-C9 PolarHBondContact O-N 3.23Å; T5-C9 PolarHBondContact O-SG 3.35Å; L6-C9 PolarHBondContact O-N 3.38Å; C9-G12 PolarHBondContact O-N 2.96Å; C9-L13 WeakPolarHBondContact O-CG 3.32Å; C9-L13 PolarHBondContact O-N 2.98Å |
| 10 | V | 88.7 | Confident | 77.9 | Confident | 74 Ų | 74 | 100.5 Ų | 100.5 | 45% | 0.448 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.7 | -43.4 | 179.1 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | L6 L7 G12 L13 L14 | L6-V10 VanDerWaalsContact O-CG2 3.32Å; L6-V10 WeakPolarHBondContact O-CG2 3.38Å; L6-V10 PolarHBondContact O-N 3.49Å; L7-V10 PolarHBondContact O-N 3.19Å; V10-G12 VanDerWaalsContact C-N 3.34Å; V10-G12 PolarHBondContact O-N 3.37Å; V10-L13 PolarHBondContact O-N 3.49Å; V10-L14 HydrophobicContact CG1-CD1 4.04Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.09Å; V10-L14 VanDerWaalsContact O-N 3.09Å |
| 11 | I | 88.1 | Confident | 77.3 | Confident | 99 Ų | 99 | 103.1 Ų | 103.1 | 51% | 0.508 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.9 | -41.3 | 176.8 | -66.1 | 167.8 | 0 | 0 | 0 | 110.8 | L7 L8 L14 A15 | L7-I11 HydrophobicContact CD2-CD1 3.94Å; L7-I11 VanDerWaalsContact O-CG1 3.3Å; L7-I11 WeakPolarHBondContact O-CG1 3.38Å; L7-I11 PolarHBondContact O-N 3Å; L8-I11 PolarHBondContact O-N 3.05Å; I11-L14 PolarHBondContact O-N 3.37Å; I11-A15 PolarHBondContact O-N 3.03Å |
| 12 | G | 84.8 | Confident | 77.6 | Confident | 29 Ų | 29 | 99.4 Ų | 99.4 | 30% | 0.299 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.3 | -46.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L8 C9 V10 L14 A15 F16 | L8-G12 PolarHBondContact O-N 3.35Å; C9-G12 PolarHBondContact O-N 2.96Å; V10-G12 VanDerWaalsContact C-N 3.34Å; V10-G12 PolarHBondContact O-N 3.37Å; G12-L14 VanDerWaalsContact C-N 3.33Å; G12-L14 PolarHBondContact O-N 3.26Å; G12-A15 PolarHBondContact O-N 3.22Å; G12-F16 WeakPolarHBondContact O-CD2 3.38Å; G12-F16 PolarHBondContact O-N 3.07Å |
| 13 | L | 83.1 | Confident | 77.2 | Confident | 127 Ų | 127 | 102.5 Ų | 102.5 | 67% | 0.665 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.4 | -36.9 | 178.2 | -71.2 | 168.5 | 0 | 0 | 0 | 112.7 | C9 V10 S17 | C9-L13 WeakPolarHBondContact O-CG 3.32Å; C9-L13 PolarHBondContact O-N 2.98Å; V10-L13 PolarHBondContact O-N 3.49Å; L13-S17 WeakPolarHBondContact O-CB 3.34Å; L13-S17 PolarHBondContact O-N 3.43Å; L13-S17 PolarHBondContact O-OG 2.9Å |
| 14 | L | 81.8 | Confident | 76.6 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 58% | 0.576 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.5 | -36.9 | 175 | -72.9 | 165.2 | 0 | 0 | 0 | 112.5 | V10 I11 G12 S17 S18 | V10-L14 HydrophobicContact CG1-CD1 4.04Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.09Å; V10-L14 VanDerWaalsContact O-N 3.09Å; I11-L14 PolarHBondContact O-N 3.37Å; G12-L14 VanDerWaalsContact C-N 3.33Å; G12-L14 PolarHBondContact O-N 3.26Å; L14-S17 WeakPolarHBondContact CA-OG 3.37Å; L14-S17 PolarHBondContact O-OG 3.12Å; L14-S18 PolarHBondContact O-N 3.48Å; L14-S18 VanDerWaalsContact O-N 3.11Å; L14-S18 PolarHBondContact O-OG 2.93Å; L14-S18 VanDerWaalsContact O-OG 3.12Å |
| 15 | A | 80.3 | Confident | 76 | Confident | 54 Ų | 54 | 103.2 Ų | 103.2 | 45% | 0.446 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.6 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I11 G12 S18 A19 | I11-A15 PolarHBondContact O-N 3.03Å; G12-A15 PolarHBondContact O-N 3.22Å; A15-S18 PolarHBondContact O-N 3.44Å; A15-S18 PolarHBondContact O-OG 2.95Å; A15-A19 PolarHBondContact O-N 3.42Å |
| 16 | F | 76.4 | Confident | 75 | Confident | 158 Ų | 158 | 104.8 Ų | 104.8 | 69% | 0.693 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.6 | -36.8 | 176.2 | -90.6 | -82 | 0 | 0 | 0 | 113 | G12 S18 A19 C20 | G12-F16 WeakPolarHBondContact O-CD2 3.38Å; G12-F16 PolarHBondContact O-N 3.07Å; F16-S18 VanDerWaalsContact C-N 3.35Å; F16-A19 PolarHBondContact O-N 2.99Å; F16-C20 PolarHBondContact O-N 2.93Å |
| 17 | S | 73.4 | Confident | 73.9 | Confident | 70 Ų | 70 | 110.3 Ų | 110.3 | 49% | 0.49 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69 | -33.2 | 176.6 | 66.8 | 0 | 0 | 0 | 0 | 112.5 | L13 L14 Y21 | L13-S17 WeakPolarHBondContact O-CB 3.34Å; L13-S17 PolarHBondContact O-N 3.43Å; L13-S17 PolarHBondContact O-OG 2.9Å; L14-S17 WeakPolarHBondContact CA-OG 3.37Å; L14-S17 PolarHBondContact O-OG 3.12Å; S17-Y21 WeakPolarHBondContact O-CB 3.3Å; S17-Y21 PolarHBondContact O-N 3.21Å |
| 18 | S | 68.4 | Low | 72.7 | Confident | 78 Ų | 78 | 108 Ų | 108 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.6 | -33.7 | 174.3 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | L14 A15 F16 C20 Y21 | L14-S18 PolarHBondContact O-N 3.48Å; L14-S18 VanDerWaalsContact O-N 3.11Å; L14-S18 PolarHBondContact O-OG 2.93Å; L14-S18 VanDerWaalsContact O-OG 3.12Å; A15-S18 PolarHBondContact O-N 3.44Å; A15-S18 PolarHBondContact O-OG 2.95Å; F16-S18 VanDerWaalsContact C-N 3.35Å; S18-C20 VanDerWaalsContact C-N 3.33Å; S18-C20 PolarHBondContact O-N 3.11Å; S18-Y21 PolarHBondContact O-N 3.25Å |
| 19 | A | 65.1 | Low | 71.8 | Confident | 84 Ų | 84 | 104.9 Ų | 104.9 | 69% | 0.694 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.4 | -28.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A15 F16 | A15-A19 PolarHBondContact O-N 3.42Å; F16-A19 PolarHBondContact O-N 2.99Å |
| 20 | C | 61.8 | Low | 70.5 | Confident | 105 Ų | 105 | 111.7 Ų | 111.7 | 71% | 0.709 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -6.8 | 173.1 | -70.1 | 0 | 0 | 0 | 0 | 113.6 | F16 S18 I22 | F16-C20 PolarHBondContact O-N 2.93Å; S18-C20 VanDerWaalsContact C-N 3.33Å; S18-C20 PolarHBondContact O-N 3.11Å; C20-I22 PolarHBondContact O-N 3.2Å |
| 21 | Y | 66.6 | Low | 69.1 | Low | 156 Ų | 156 | 119.6 Ų | 119.6 | 61% | 0.612 | 65% | 0.65 | S | S | * | * | trans | -87.7 | 86.8 | 178.2 | -166.2 | -108.7 | 0 | 0 | 0 | 109.5 | S17 S18 Q23 | S17-Y21 WeakPolarHBondContact O-CB 3.3Å; S17-Y21 PolarHBondContact O-N 3.21Å; S18-Y21 PolarHBondContact O-N 3.25Å; Y21-Q23 HydrophobicContact CD1-CG 3.49Å; Y21-Q23 VanDerWaalsContact CD1-CG 3.49Å; Y21-Q23 HydrophobicContact CE1-CG 3.75Å; Y21-Q23 PolarHBondContact O-N 3.19Å | ||
| 22 | I | 64.4 | Low | 67.7 | Low | 120 Ų | 120 | 117.7 Ų | 117.7 | 62% | 0.615 | 65% | 0.649 | S | S | * | * | trans | -63.8 | 100.5 | 174.7 | -61.2 | 172.1 | 0 | 0 | 0 | 108.6 | C20 C25 | C20-I22 PolarHBondContact O-N 3.2Å; I22-C25 HydrophobicContact CG2-CB 4.47Å; I22-C25 WeakPolarHBondContact CG2-SG 3.47Å | ||
| 23 | Q | 60.1 | Low | 66.5 | Low | 154 Ų | 154 | 122.6 Ų | 122.6 | 72% | 0.72 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -82.1 | -19.2 | 175 | -64.1 | -113 | 20.9 | 0 | 0 | 112.4 | Y21 | Y21-Q23 HydrophobicContact CD1-CG 3.49Å; Y21-Q23 VanDerWaalsContact CD1-CG 3.49Å; Y21-Q23 HydrophobicContact CE1-CG 3.75Å; Y21-Q23 PolarHBondContact O-N 3.19Å |
| 24 | N | 62.7 | Low | 65.1 | Low | 152 Ų | 152 | 123.7 Ų | 123.7 | 81% | 0.813 | 67% | 0.67 | S | S | * | * | trans | -104.5 | 48.4 | 178.3 | -80.5 | -63 | 0 | 0 | 0 | 111.1 | P26 | N24-P26 VanDerWaalsContact O-CD 3.3Å; N24-P26 WeakPolarHBondContact O-CD 3.5Å | ||
| 25 | C | 64.6 | Low | 63.9 | Low | 90 Ų | 90 | 126.2 Ų | 126.2 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | trans | -65.6 | 120.6 | 165.8 | -79.4 | 0 | 0 | 0 | 0 | 107.3 | I22 | I22-C25 HydrophobicContact CG2-CB 4.47Å; I22-C25 WeakPolarHBondContact CG2-SG 3.47Å | ||
| 26 | P | 60.9 | Low | 62.9 | Low | 114 Ų | 114 | 127.8 Ų | 127.8 | 74% | 0.74 | 69% | 0.688 | S | S | * | * | trans | -54.7 | 147.1 | 171.1 | 22.9 | -31.2 | 0 | 0 | 0 | 108.9 | N24 G28 | N24-P26 VanDerWaalsContact O-CD 3.3Å; N24-P26 WeakPolarHBondContact O-CD 3.5Å; P26-G28 PolarHBondContact O-N 2.8Å | ||
| 27 | R | 62.6 | Low | 62.6 | Low | 236 Ų | 236 | 123.5 Ų | 123.5 | 89% | 0.891 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -64 | 94.8 | -177.1 | -163.6 | 171 | -173.3 | 144.6 | -1.2 | 108.9 | ||
| 28 | G | 61.1 | Low | 63 | Low | 60 Ų | 60 | 125.3 Ų | 125.3 | 62% | 0.619 | 69% | 0.691 | S | S | * | * | trans | 163 | 83 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | P26 | P26-G28 PolarHBondContact O-N 2.8Š| ||
| 29 | G | 66.3 | Low | 64.1 | Low | 52 Ų | 52 | 124.7 Ų | 124.7 | 54% | 0.536 | 68% | 0.677 | S | S | . | * | trans | -101.2 | 171.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R31 A32 | G29-R31 PolarHBondContact O-N 2.74Å; G29-A32 VanDerWaalsContact N-CB 3.31Å; G29-A32 WeakPolarHBondContact O-CB 3.29Å; G29-A32 PolarHBondContact O-N 2.68Å | ||
| 30 | K | 59.6 | Low | 65.4 | Low | 223 Ų | 223 | 126.1 Ų | 126.1 | 97% | 0.97 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -13.2 | 178.2 | -56.8 | -173.5 | -166.9 | -174.9 | 0 | 114.9 | ||
| 31 | R | 58.6 | Low | 67 | Low | 241 Ų | 241 | 121.5 Ų | 121.5 | 91% | 0.909 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | 5.7 | -178 | -57.6 | 177.4 | -178 | -113.7 | 1.4 | 113.2 | G29 L33 | G29-R31 PolarHBondContact O-N 2.74Å; R31-L33 PolarHBondContact O-N 3.09Å |
| 32 | A | 58.9 | Low | 68.4 | Low | 58 Ų | 58 | 115.8 Ų | 115.8 | 48% | 0.479 | 62% | 0.617 | S | S | . | * | trans | -81.9 | -3.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G29 Q34 | G29-A32 VanDerWaalsContact N-CB 3.31Å; G29-A32 WeakPolarHBondContact O-CB 3.29Å; G29-A32 PolarHBondContact O-N 2.68Å; A32-Q34 PolarHBondContact O-N 2.94Å | ||
| 33 | L | 59.5 | Low | 69.9 | Low | 133 Ų | 133 | 111.6 Ų | 111.6 | 70% | 0.696 | 60% | 0.597 | S | S | * | * | trans | -71.5 | 82.6 | 164.4 | -167.7 | 68.4 | 0 | 0 | 0 | 107.7 | R31 D35 P84 | R31-L33 PolarHBondContact O-N 3.09Å; L33-D35 PolarHBondContact O-N 3.26Å; L33-P84 HydrophobicContact CD1-CG 4.37Å | ||
| 34 | Q | 55.1 | Low | 71.6 | Confident | 150 Ų | 150 | 104.3 Ų | 104.3 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | trans | -57.9 | 126 | 151 | -93.7 | 173.3 | -11.2 | 0 | 0 | 105.7 | A32 T36 | A32-Q34 PolarHBondContact O-N 2.94Å; Q34-T36 HydrophobicContact CB-CG2 4.32Å; Q34-T36 PolarHBondContact O-N 3.4Å; Q34-T36 PolarHBondContact O-OG1 2.87Å; Q34-T36 VanDerWaalsContact O-OG1 3.14Å | ||
| 35 | D | 56.2 | Low | 73 | Confident | 162 Ų | 162 | 98 Ų | 98 | 87% | 0.866 | 53% | 0.534 | S | S | * | . | trans | -60 | 59.9 | 171.7 | -171.7 | 32.6 | 0 | 0 | 0 | 110.4 | L33 | L33-D35 PolarHBondContact O-N 3.26Š| ||
| 36 | T | 59.4 | Low | 74.3 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | trans | -86.3 | 116.8 | 165.9 | 46.7 | 0 | 0 | 0 | 0 | 103.5 | Q34 I38 | Q34-T36 HydrophobicContact CB-CG2 4.32Å; Q34-T36 PolarHBondContact O-N 3.4Å; Q34-T36 PolarHBondContact O-OG1 2.87Å; Q34-T36 VanDerWaalsContact O-OG1 3.14Å; T36-I38 PolarHBondContact O-N 3.43Å | ||
| 37 | G | 69.4 | Low | 75.7 | Confident | 67 Ų | 67 | 95 Ų | 95 | 69% | 0.691 | 53% | 0.526 | S | S | * | . | trans | -45 | 140.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R39 | G37-R39 PolarHBondContact O-N 3.2Å; G37-R39 VanDerWaalsContact O-N 3.1Å | ||
| 38 | I | 82.3 | Confident | 77.1 | Confident | 109 Ų | 109 | 87.8 Ų | 87.8 | 56% | 0.559 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 118.5 | -177.1 | -56.6 | 170.7 | 0 | 0 | 0 | 108.4 | T36 Q86 | T36-I38 PolarHBondContact O-N 3.43Å; I38-Q86 HydrophobicContact CG2-CB 3.5Å; I38-Q86 VanDerWaalsContact CG2-CB 3.5Å |
| 39 | R | 91.3 | Very high | 78.6 | Confident | 65 Ų | 65 | 91.6 Ų | 91.6 | 25% | 0.245 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 158.3 | 179.9 | 64.8 | 171.2 | 175.4 | 88.9 | 9.8 | 110.9 | G37 E78 L81 T83 P84 C85 Q86 | G37-R39 PolarHBondContact O-N 3.2Å; G37-R39 VanDerWaalsContact O-N 3.1Å; R39-E78 IonicContact CZ-OE1 3.28Å; R39-E78 IonicContact CZ-OE2 3.55Å; R39-E78 VanDerWaalsContact CZ-OE2 3.28Å; R39-E78 VanDerWaalsContact NH1-CD 3.35Å; R39-E78 IonicContact NH1-OE1 3.06Å; R39-E78 PolarHBondContact NH1-OE1 2.92Å; R39-E78 IonicContact NH1-OE2 2.74Å; R39-E78 PolarHBondContact NH1-OE2 3.2Å; R39-E78 IonicContact NH2-OE1 2.63Å; R39-E78 IonicContact NH2-OE2 3.72Å; R39-E78 PolarHBondContact NH2-OE2 3.31Å; R39-L81 VanDerWaalsContact NH2-CB 3.35Å; R39-L81 VanDerWaalsContact NH2-CD1 3.26Å; R39-T83 PolarHBondContact NE-O 3.13Å; R39-T83 PolarHBondContact NE-OG1 3.43Å; R39-T83 PolarHBondContact NH2-O 3.09Å; R39-P84 WeakPolarHBondContact CG-O 3.47Å; R39-C85 HydrophobicContact CG-CB 3.97Å; R39-C85 CarbonylContact O-C 3.56Å; R39-C85 WeakPolarHBondContact O-CA 3.49Å; R39-Q86 PolarHBondContact O-N 3.01Å |
| 40 | Q | 92.4 | Very high | 80 | Confident | 113 Ų | 113 | 89.2 Ų | 89.2 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 144.5 | 166.3 | -67.8 | -174.9 | -7.3 | 0 | 0 | 110.3 | Q86 | Q40-Q86 WeakPolarHBondContact CA-O 3.47Å |
| 41 | C | 95.3 | Very high | 81.7 | Confident | 9 Ų | 9 | 82.8 Ų | 82.8 | 6% | 0.061 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 155.2 | 173.3 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | R51 C52 E78 C85 Q86 T87 | C41-R51 VanDerWaalsContact O-CD 3.22Å; C41-R51 WeakPolarHBondContact O-CD 3.36Å; C41-R51 PolarHBondContact O-NH1 3.19Å; C41-C52 HydrophobicContact CB-CB 4.43Å; C41-C52 WeakPolarHBondContact CB-O 3.44Å; C41-E78 VanDerWaalsContact CA-OE1 3.31Å; C41-E78 WeakPolarHBondContact CA-OE1 3.38Å; C41-C85 WeakPolarHBondContact CA-SG 3.34Å; C41-C85 HydrophobicContact CB-CB 3.86Å; C41-C85 WeakPolarHBondContact CB-SG 3.32Å; C41-C85 VanDerWaalsContact SG-C 3.57Å; C41-C85 WeakPolarHBondContact SG-CB 3.36Å; C41-C85 CovalentContact SG-SG 2.05Å; C41-C85 PolarHBondContact SG-SG 3.23Å; C41-Q86 PolarHBondContact N-O 3.26Å; C41-Q86 VanDerWaalsContact SG-C 3.57Å; C41-T87 HydrophobicContact CB-CG2 4.31Å |
| 42 | M | 95.2 | Very high | 83.5 | Confident | 36 Ų | 36 | 71.4 Ų | 71.4 | 18% | 0.177 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 147.7 | -176.5 | -76.6 | -172 | -81.3 | 0 | 0 | 112 | R51 C52 E77 E78 L81 | M42-R51 WeakPolarHBondContact O-CA 3.32Å; M42-C52 PolarHBondContact O-N 3.3Å; M42-C52 PolarHBondContact O-SG 3.09Å; M42-E77 VanDerWaalsContact CE-C 3.46Å; M42-E77 HydrophobicContact CE-CB 3.61Å; M42-E78 HydrophobicContact CE-CB 4.1Å; M42-E78 HydrophobicContact CE-CG 3.52Å; M42-E78 WeakPolarHBondContact CG-OE1 3.42Å; M42-E78 PolarHBondContact N-OE1 3.01Å; M42-L81 HydrophobicContact CE-CD1 3.63Å; M42-L81 HydrophobicContact CE-CG 4.49Å; M42-L81 HydrophobicContact SD-CD1 4.17Å |
| 43 | T | 96.1 | Very high | 85.3 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 19% | 0.19 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 160.8 | 168.4 | 56.2 | 0 | 0 | 0 | 0 | 110.8 | D48 G50 R74 | T43-D48 WeakPolarHBondContact CB-OD1 3.34Å; T43-D48 HydrophobicContact CG2-CB 4.47Å; T43-D48 PolarHBondContact OG1-OD1 3.14Å; T43-G50 CarbonylContact C-O 3.58Å; T43-G50 WeakPolarHBondContact CA-O 3.15Å; T43-G50 WeakPolarHBondContact CB-O 3.47Å; T43-R74 VanDerWaalsContact C-NH2 3.27Å; T43-R74 PolarHBondContact O-NE 3.19Å; T43-R74 VanDerWaalsContact O-NE 3.09Å; T43-R74 PolarHBondContact O-NH2 2.9Å; T43-R74 PolarHBondContact OG1-NH2 3.26Å |
| 44 | C | 95.8 | Very high | 86.9 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.014 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 174.3 | 179.1 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | G50 R51 C58 | C44-G50 PolarHBondContact N-O 3.28Å; C44-G50 WeakPolarHBondContact O-CA 3.43Å; C44-G50 PolarHBondContact O-N 3.2Å; C44-G50 VanDerWaalsContact SG-C 3.55Å; C44-R51 PolarHBondContact SG-N 3.14Å; C44-R51 VanDerWaalsContact SG-N 3.43Å; C44-R51 PolarHBondContact SG-O 3.2Å; C44-R51 VanDerWaalsContact SG-O 3.37Å; C44-C58 HydrophobicContact CB-CB 3.85Å; C44-C58 WeakPolarHBondContact CB-SG 3.01Å; C44-C58 WeakPolarHBondContact SG-CA 3.43Å; C44-C58 WeakPolarHBondContact SG-CB 3.07Å; C44-C58 CovalentContact SG-SG 2.02Å; C44-C58 PolarHBondContact SG-SG 3.33Å |
| 45 | G | 93.5 | Very high | 88.8 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 72.9 | 179.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | G47 D48 C58 E71 | G45-G47 PolarHBondContact O-N 3.22Å; G45-D48 PolarHBondContact O-N 3.03Å; G45-C58 PolarHBondContact N-SG 2.87Å; G45-E71 PolarHBondContact N-O 3.49Å |
| 46 | P | 91.3 | Very high | 90.7 | Very high | 75 Ų | 75 | 53.4 Ų | 53.4 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -56.7 | 122.9 | -178.7 | -23.5 | 33.2 | 0 | 0 | 0 | 112.1 | D48 Q49 L63 | P46-D48 VanDerWaalsContact C-N 3.26Å; P46-D48 PolarHBondContact O-N 3.3Å; P46-Q49 WeakPolarHBondContact O-CG 3.47Å; P46-L63 HydrophobicContact CG-CD1 4.23Å |
| 47 | G | 90.8 | Very high | 92.5 | Very high | 67 Ų | 67 | 49.2 Ų | 49.2 | 69% | 0.691 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | 65.8 | 24.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G45 Q49 | G45-G47 PolarHBondContact O-N 3.22Å; G47-Q49 PolarHBondContact O-N 2.68Å; G47-Q49 VanDerWaalsContact O-N 3.14Å |
| 48 | D | 92.1 | Very high | 93.8 | Very high | 84 Ų | 84 | 46 Ų | 46 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | 58.1 | 26.3 | 178.8 | -74 | -66 | 0 | 0 | 0 | 113.9 | T43 G45 P46 G50 R74 | T43-D48 WeakPolarHBondContact CB-OD1 3.34Å; T43-D48 HydrophobicContact CG2-CB 4.47Å; T43-D48 PolarHBondContact OG1-OD1 3.14Å; G45-D48 PolarHBondContact O-N 3.03Å; P46-D48 VanDerWaalsContact C-N 3.26Å; P46-D48 PolarHBondContact O-N 3.3Å; D48-G50 VanDerWaalsContact C-N 3.33Å; D48-R74 IonicContact OD1-CZ 3.77Å; D48-R74 IonicContact OD1-NH1 2.79Å; D48-R74 PolarHBondContact OD1-NH1 3.44Å; D48-R74 IonicContact OD1-NH2 3.86Å |
| 49 | Q | 92.2 | Very high | 94.5 | Very high | 140 Ų | 140 | 41 Ų | 41 | 65% | 0.654 | 23% | 0.233 | S | C | * | . | trans | -81.8 | -11 | -176.1 | -61.8 | -173.3 | 20.4 | 0 | 0 | 113.8 | P46 G47 | P46-Q49 WeakPolarHBondContact O-CG 3.47Å; G47-Q49 PolarHBondContact O-N 2.68Å; G47-Q49 VanDerWaalsContact O-N 3.14Å | ||
| 50 | G | 94.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 172.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T43 C44 D48 C59 | T43-G50 CarbonylContact C-O 3.58Å; T43-G50 WeakPolarHBondContact CA-O 3.15Å; T43-G50 WeakPolarHBondContact CB-O 3.47Å; C44-G50 PolarHBondContact N-O 3.28Å; C44-G50 WeakPolarHBondContact O-CA 3.43Å; C44-G50 PolarHBondContact O-N 3.2Å; C44-G50 VanDerWaalsContact SG-C 3.55Å; D48-G50 VanDerWaalsContact C-N 3.33Å; G50-C59 CarbonylContact C-O 3.55Å; G50-C59 WeakPolarHBondContact CA-O 3Å |
| 51 | R | 95.9 | Very high | 94.5 | Very high | 89 Ų | 89 | 41 Ų | 41 | 34% | 0.336 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149 | 170.4 | -69.3 | -77.1 | -177.3 | 172.5 | 0.2 | 109.8 | C41 M42 C44 F53 C59 | C41-R51 VanDerWaalsContact O-CD 3.22Å; C41-R51 WeakPolarHBondContact O-CD 3.36Å; C41-R51 PolarHBondContact O-NH1 3.19Å; M42-R51 WeakPolarHBondContact O-CA 3.32Å; C44-R51 PolarHBondContact SG-N 3.14Å; C44-R51 VanDerWaalsContact SG-N 3.43Å; C44-R51 PolarHBondContact SG-O 3.2Å; C44-R51 VanDerWaalsContact SG-O 3.37Å; R51-F53 HydrophobicContact CB-CE2 4.36Å; R51-F53 WeakPolarHBondContact O-CD2 3.22Å; R51-F53 PolarHBondContact O-N 3.33Å; R51-C59 PolarHBondContact N-O 2.92Å; R51-C59 PolarHBondContact O-N 3.26Å |
| 52 | C | 96.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 122.2 | 177.8 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | C41 M42 I57 C75 E78 T87 | C41-C52 HydrophobicContact CB-CB 4.43Å; C41-C52 WeakPolarHBondContact CB-O 3.44Å; M42-C52 PolarHBondContact O-N 3.3Å; M42-C52 PolarHBondContact O-SG 3.09Å; C52-I57 WeakPolarHBondContact CA-O 3.31Å; C52-C75 WeakPolarHBondContact CA-SG 3.07Å; C52-C75 HydrophobicContact CB-CB 3.58Å; C52-C75 WeakPolarHBondContact CB-SG 3.15Å; C52-C75 WeakPolarHBondContact SG-CA 3.45Å; C52-C75 WeakPolarHBondContact SG-CB 3.5Å; C52-C75 CovalentContact SG-SG 2.04Å; C52-C75 PolarHBondContact SG-SG 3.1Å; C52-E78 HydrophobicContact CB-CG 4.45Å; C52-T87 WeakPolarHBondContact O-CG2 3.45Å |
| 53 | F | 95.8 | Very high | 93.8 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 9% | 0.092 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -23.4 | 173 | -79.5 | -107 | 0 | 0 | 0 | 112.3 | R51 I57 C59 T87 R98 A100 C106 S108 | R51-F53 HydrophobicContact CB-CE2 4.36Å; R51-F53 WeakPolarHBondContact O-CD2 3.22Å; R51-F53 PolarHBondContact O-N 3.33Å; F53-I57 HydrophobicContact CB-CB 4.3Å; F53-I57 HydrophobicContact CB-CG2 3.93Å; F53-I57 PolarHBondContact N-O 3.14Å; F53-C59 HydrophobicContact CD2-CB 3.78Å; F53-C59 HydrophobicContact CE2-CB 3.81Å; F53-T87 HydrophobicContact CB-CG2 4.29Å; F53-T87 HydrophobicContact CD1-CG2 3.83Å; F53-T87 HydrophobicContact CD2-CG2 4.02Å; F53-T87 HydrophobicContact CE1-CG2 4.07Å; F53-T87 HydrophobicContact CE2-CG2 4.23Å; F53-T87 HydrophobicContact CG-CG2 3.79Å; F53-T87 HydrophobicContact CZ-CG2 4.25Å; F53-R98 HydrophobicContact CE1-CB 4.01Å; F53-A100 HydrophobicContact CD1-CB 3.88Å; F53-A100 HydrophobicContact CD2-CB 4.13Å; F53-A100 HydrophobicContact CE1-CB 3.5Å; F53-A100 VanDerWaalsContact CE1-CB 3.5Å; F53-A100 HydrophobicContact CE2-CB 3.8Å; F53-A100 HydrophobicContact CG-CB 4.2Å; F53-A100 HydrophobicContact CZ-CB 3.47Å; F53-A100 VanDerWaalsContact CZ-CB 3.47Å; F53-C106 HydrophobicContact CB-CB 4.33Å; F53-C106 HydrophobicContact CD1-CB 3.95Å; F53-C106 HydrophobicContact CG-CB 4.3Å; F53-S108 WeakPolarHBondContact O-CA 2.96Å |
| 54 | G | 94.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 176.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S56 I57 C75 S108 | G54-S56 PolarHBondContact O-N 2.71Å; G54-S56 VanDerWaalsContact O-N 3.09Å; G54-I57 PolarHBondContact O-N 2.76Å; G54-C75 VanDerWaalsContact O-CB 3.26Å; G54-C75 WeakPolarHBondContact O-CB 3.45Å; G54-S108 WeakPolarHBondContact CA-O 3.49Å |
| 55 | P | 95.1 | Very high | 93.7 | Very high | 40 Ų | 40 | 45.7 Ų | 45.7 | 26% | 0.26 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.7 | -175.8 | 27 | -35.9 | 0 | 0 | 0 | 113.7 | C75 F76 N79 | P55-C75 CarbonylContact O-C 3.6Å; P55-F76 HydrophobicContact CB-CD2 4.26Å; P55-F76 PolarHBondContact O-N 3.45Å; P55-N79 WeakPolarHBondContact CB-ND2 3.35Å |
| 56 | S | 96.1 | Very high | 93.8 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 21 | 179.1 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | G54 M67 G68 T72 | G54-S56 PolarHBondContact O-N 2.71Å; G54-S56 VanDerWaalsContact O-N 3.09Å; S56-M67 CarbonylContact O-C 3.48Å; S56-M67 VanDerWaalsContact O-CA 3.26Å; S56-M67 WeakPolarHBondContact O-CA 3.48Å; S56-G68 PolarHBondContact O-N 2.67Å; S56-T72 WeakPolarHBondContact O-CG2 3.49Å |
| 57 | I | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 120.8 | -175.5 | -51.1 | -179.2 | 0 | 0 | 0 | 110.3 | C52 F53 G54 W66 M67 | C52-I57 WeakPolarHBondContact CA-O 3.31Å; F53-I57 HydrophobicContact CB-CB 4.3Å; F53-I57 HydrophobicContact CB-CG2 3.93Å; F53-I57 PolarHBondContact N-O 3.14Å; G54-I57 PolarHBondContact O-N 2.76Å; I57-W66 WeakPolarHBondContact CA-O 3.26Å; I57-M67 HydrophobicContact CG1-CG 4.19Å; I57-M67 HydrophobicContact CG2-CG 4.25Å |
| 58 | C | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 122.8 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | C44 G45 C65 W66 T72 | C44-C58 HydrophobicContact CB-CB 3.85Å; C44-C58 WeakPolarHBondContact CB-SG 3.01Å; C44-C58 WeakPolarHBondContact SG-CA 3.43Å; C44-C58 WeakPolarHBondContact SG-CB 3.07Å; C44-C58 CovalentContact SG-SG 2.02Å; C44-C58 PolarHBondContact SG-SG 3.33Å; G45-C58 PolarHBondContact N-SG 2.87Å; C58-C65 CarbonylContact O-C 3.44Å; C58-C65 WeakPolarHBondContact O-CA 3.44Å; C58-W66 HydrophobicContact CB-CB 4.47Å; C58-W66 PolarHBondContact N-O 2.63Å; C58-W66 PolarHBondContact O-N 2.65Å; C58-T72 HydrophobicContact CB-CG2 3.94Å |
| 59 | C | 96.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 150.7 | -178.5 | -62.3 | 0 | 0 | 0 | 0 | 113.1 | G50 R51 F53 G64 C65 A100 C106 | G50-C59 CarbonylContact C-O 3.55Å; G50-C59 WeakPolarHBondContact CA-O 3Å; R51-C59 PolarHBondContact N-O 2.92Å; R51-C59 PolarHBondContact O-N 3.26Å; F53-C59 HydrophobicContact CD2-CB 3.78Å; F53-C59 HydrophobicContact CE2-CB 3.81Å; C59-G64 CarbonylContact C-O 3.45Å; C59-G64 VanDerWaalsContact CA-O 3.24Å; C59-G64 WeakPolarHBondContact CA-O 3.26Å; C59-C65 HydrophobicContact CB-CB 4.16Å; C59-C65 WeakPolarHBondContact CB-SG 2.95Å; C59-C65 WeakPolarHBondContact SG-CB 3.49Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 2.79Å; C59-A100 HydrophobicContact CB-CB 3.52Å; C59-A100 VanDerWaalsContact SG-CB 3.59Å; C59-C106 VanDerWaalsContact SG-SG 3.61Å |
| 60 | G | 93.9 | Very high | 93.9 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 154.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | G62 L63 G64 | G60-G62 VanDerWaalsContact C-N 3.34Å; G60-G62 PolarHBondContact O-N 3.03Å; G60-L63 PolarHBondContact O-N 3.48Å; G60-G64 PolarHBondContact N-O 2.73Å; G60-G64 PolarHBondContact O-N 2.93Å |
| 61 | E | 88.5 | Confident | 93.7 | Very high | 171 Ų | 171 | 49.6 Ų | 49.6 | 80% | 0.799 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -43.2 | -171.3 | -67.6 | -174 | 158.8 | 0 | 0 | 113.8 | P102 | E61-P102 WeakPolarHBondContact O-CD 2.99Š|
| 62 | G | 86.7 | Confident | 93.6 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -6.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G60 | G60-G62 VanDerWaalsContact C-N 3.34Å; G60-G62 PolarHBondContact O-N 3.03Å |
| 63 | L | 89.9 | Confident | 93.4 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -27.8 | -174.7 | -175.4 | 73 | 0 | 0 | 0 | 112 | P46 G60 W66 | P46-L63 HydrophobicContact CG-CD1 4.23Å; G60-L63 PolarHBondContact O-N 3.48Å; L63-W66 VanDerWaalsContact CD1-NE1 3.35Å |
| 64 | G | 93.3 | Very high | 93.2 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.9 | -148.8 | -162.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | C59 G60 | C59-G64 CarbonylContact C-O 3.45Å; C59-G64 VanDerWaalsContact CA-O 3.24Å; C59-G64 WeakPolarHBondContact CA-O 3.26Å; G60-G64 PolarHBondContact N-O 2.73Å; G60-G64 PolarHBondContact O-N 2.93Å |
| 65 | C | 96.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134 | 178.3 | -73.6 | 0 | 0 | 0 | 0 | 111.5 | C58 C59 C106 | C58-C65 CarbonylContact O-C 3.44Å; C58-C65 WeakPolarHBondContact O-CA 3.44Å; C59-C65 HydrophobicContact CB-CB 4.16Å; C59-C65 WeakPolarHBondContact CB-SG 2.95Å; C59-C65 WeakPolarHBondContact SG-CB 3.49Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 2.79Å; C65-C106 VanDerWaalsContact SG-SG 3.68Å |
| 66 | W | 94.8 | Very high | 93.3 | Very high | 102 Ų | 102 | 54.6 Ų | 54.6 | 39% | 0.386 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.5 | 173.4 | -59.2 | 88.4 | 0 | 0 | 0 | 109.1 | I57 C58 L63 E71 T72 | I57-W66 WeakPolarHBondContact CA-O 3.26Å; C58-W66 HydrophobicContact CB-CB 4.47Å; C58-W66 PolarHBondContact N-O 2.63Å; C58-W66 PolarHBondContact O-N 2.65Å; L63-W66 VanDerWaalsContact CD1-NE1 3.35Å; W66-E71 HydrophobicContact CB-CB 4.36Å; W66-E71 HydrophobicContact CD2-CG 4.45Å; W66-E71 HydrophobicContact CG-CB 4.29Å; W66-T72 HydrophobicContact CB-CG2 4.15Å; W66-T72 VanDerWaalsContact O-CG2 3.31Å; W66-T72 WeakPolarHBondContact O-CG2 3.44Å |
| 67 | M | 95 | Very high | 93.1 | Very high | 109 Ų | 109 | 57.1 Ų | 57.1 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 126.8 | -179.2 | -69.6 | -177.3 | -87.6 | 0 | 0 | 110.4 | S56 I57 S69 C111 | S56-M67 CarbonylContact O-C 3.48Å; S56-M67 VanDerWaalsContact O-CA 3.26Å; S56-M67 WeakPolarHBondContact O-CA 3.48Å; I57-M67 HydrophobicContact CG1-CG 4.19Å; I57-M67 HydrophobicContact CG2-CG 4.25Å; M67-S69 PolarHBondContact O-N 2.87Å; M67-C111 HydrophobicContact CE-CB 4.12Å; M67-C111 HydrophobicContact SD-CB 4.1Å |
| 68 | G | 92.1 | Very high | 93 | Very high | 67 Ų | 67 | 58.2 Ų | 58.2 | 69% | 0.691 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 63.3 | 20.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S56 | S56-G68 PolarHBondContact O-N 2.67Š|
| 69 | S | 90.7 | Very high | 92.8 | Very high | 35 Ų | 35 | 62.8 Ų | 62.8 | 25% | 0.245 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -106.3 | 174.9 | -178.3 | 73.9 | 0 | 0 | 0 | 0 | 112 | M67 E71 T72 | M67-S69 PolarHBondContact O-N 2.87Å; S69-E71 WeakPolarHBondContact CB-OE2 3.24Å; S69-E71 PolarHBondContact O-N 2.89Å; S69-E71 PolarHBondContact OG-OE2 3.49Å; S69-T72 PolarHBondContact N-OG1 2.02Å; S69-T72 PolarHBondContact O-N 3.06Å; S69-T72 PolarHBondContact O-OG1 3.48Å |
| 70 | S | 91.6 | Very high | 92.5 | Very high | 98 Ų | 98 | 70.9 Ų | 70.9 | 69% | 0.685 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -61.4 | -28.7 | -178.3 | 75 | 0 | 0 | 0 | 0 | 113.1 | T72 A73 | S70-T72 PolarHBondContact O-N 3.47Å; S70-A73 WeakPolarHBondContact O-CB 3.47Å; S70-A73 PolarHBondContact O-N 2.04Å |
| 71 | E | 90.9 | Very high | 92.3 | Very high | 58 Ų | 58 | 74 Ų | 74 | 27% | 0.271 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -65.9 | -19.6 | 178.1 | -62.5 | 71.5 | -153.3 | 0 | 0 | 112.3 | G45 W66 S69 | G45-E71 PolarHBondContact N-O 3.49Å; W66-E71 HydrophobicContact CB-CB 4.36Å; W66-E71 HydrophobicContact CD2-CG 4.45Å; W66-E71 HydrophobicContact CG-CB 4.29Å; S69-E71 WeakPolarHBondContact CB-OE2 3.24Å; S69-E71 PolarHBondContact O-N 2.89Å; S69-E71 PolarHBondContact OG-OE2 3.49Å |
| 72 | T | 93.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 70.8 Ų | 70.8 | 6% | 0.055 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -94.3 | -6.5 | -179.3 | 71 | 0 | 0 | 0 | 0 | 113.2 | S56 C58 W66 S69 S70 R74 C75 | S56-T72 WeakPolarHBondContact O-CG2 3.49Å; C58-T72 HydrophobicContact CB-CG2 3.94Å; W66-T72 HydrophobicContact CB-CG2 4.15Å; W66-T72 VanDerWaalsContact O-CG2 3.31Å; W66-T72 WeakPolarHBondContact O-CG2 3.44Å; S69-T72 PolarHBondContact N-OG1 2.02Å; S69-T72 PolarHBondContact O-N 3.06Å; S69-T72 PolarHBondContact O-OG1 3.48Å; S70-T72 PolarHBondContact O-N 3.47Å; T72-R74 PolarHBondContact O-N 2.8Å; T72-R74 VanDerWaalsContact O-N 3.13Å; T72-C75 WeakPolarHBondContact O-CA 3.26Å; T72-C75 VanDerWaalsContact O-CB 3.26Å; T72-C75 WeakPolarHBondContact O-CB 3.18Å; T72-C75 PolarHBondContact O-N 3.09Å |
| 73 | A | 91.3 | Very high | 92.1 | Very high | 66 Ų | 66 | 69.9 Ų | 69.9 | 55% | 0.545 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -55.7 | -37.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | S70 C75 F76 | S70-A73 WeakPolarHBondContact O-CB 3.47Å; S70-A73 PolarHBondContact O-N 2.04Å; A73-C75 VanDerWaalsContact C-N 3.27Å; A73-C75 PolarHBondContact O-N 3.19Å; A73-F76 WeakPolarHBondContact O-CB 3.05Å; A73-F76 PolarHBondContact O-N 3.37Å |
| 74 | R | 93.1 | Very high | 92 | Very high | 85 Ų | 85 | 71.6 Ų | 71.6 | 32% | 0.321 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -70.4 | -23 | 178 | -142.5 | 179.6 | 85.2 | -177.2 | 7.9 | 113.3 | T43 D48 T72 F76 E77 | T43-R74 VanDerWaalsContact C-NH2 3.27Å; T43-R74 PolarHBondContact O-NE 3.19Å; T43-R74 VanDerWaalsContact O-NE 3.09Å; T43-R74 PolarHBondContact O-NH2 2.9Å; T43-R74 PolarHBondContact OG1-NH2 3.26Å; D48-R74 IonicContact OD1-CZ 3.77Å; D48-R74 IonicContact OD1-NH1 2.79Å; D48-R74 PolarHBondContact OD1-NH1 3.44Å; D48-R74 IonicContact OD1-NH2 3.86Å; T72-R74 PolarHBondContact O-N 2.8Å; T72-R74 VanDerWaalsContact O-N 3.13Å; R74-F76 PolarHBondContact O-N 2.54Å; R74-E77 WeakPolarHBondContact CG-OE2 3.03Å; R74-E77 WeakPolarHBondContact O-CB 3.31Å; R74-E77 PolarHBondContact O-N 3.43Å |
| 75 | C | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -71.2 | -23.9 | 176.9 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | C52 G54 P55 T72 A73 E77 E78 | C52-C75 WeakPolarHBondContact CA-SG 3.07Å; C52-C75 HydrophobicContact CB-CB 3.58Å; C52-C75 WeakPolarHBondContact CB-SG 3.15Å; C52-C75 WeakPolarHBondContact SG-CA 3.45Å; C52-C75 WeakPolarHBondContact SG-CB 3.5Å; C52-C75 CovalentContact SG-SG 2.04Å; C52-C75 PolarHBondContact SG-SG 3.1Å; G54-C75 VanDerWaalsContact O-CB 3.26Å; G54-C75 WeakPolarHBondContact O-CB 3.45Å; P55-C75 CarbonylContact O-C 3.6Å; T72-C75 WeakPolarHBondContact O-CA 3.26Å; T72-C75 VanDerWaalsContact O-CB 3.26Å; T72-C75 WeakPolarHBondContact O-CB 3.18Å; T72-C75 PolarHBondContact O-N 3.09Å; A73-C75 VanDerWaalsContact C-N 3.27Å; A73-C75 PolarHBondContact O-N 3.19Å; C75-E77 PolarHBondContact O-N 2.79Å; C75-E78 WeakPolarHBondContact O-CB 3.35Å; C75-E78 PolarHBondContact O-N 2.05Å |
| 76 | F | 94.3 | Very high | 91.7 | Very high | 107 Ų | 107 | 74.9 Ų | 74.9 | 47% | 0.469 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -65.1 | -25.6 | 172.8 | -165.5 | -103.8 | 0 | 0 | 0 | 112.4 | P55 A73 R74 E78 N79 Y80 | P55-F76 HydrophobicContact CB-CD2 4.26Å; P55-F76 PolarHBondContact O-N 3.45Å; A73-F76 WeakPolarHBondContact O-CB 3.05Å; A73-F76 PolarHBondContact O-N 3.37Å; R74-F76 PolarHBondContact O-N 2.54Å; F76-E78 PolarHBondContact O-N 2.83Å; F76-N79 WeakPolarHBondContact O-CB 3.24Å; F76-N79 PolarHBondContact O-N 2.78Å; F76-N79 PolarHBondContact O-ND2 2.96Å; F76-Y80 AromaticContact CD1-CE2 3.78Å; F76-Y80 HydrophobicContact CD1-CE2 3.78Å; F76-Y80 AromaticContact CE1-CE2 3.66Å; F76-Y80 HydrophobicContact CE1-CE2 3.66Å; F76-Y80 AromaticContact CE1-CZ 3.87Å; F76-Y80 VanDerWaalsContact CE1-OH 3.29Å; F76-Y80 WeakPolarHBondContact CE1-OH 2.96Å |
| 77 | E | 93.7 | Very high | 91.5 | Very high | 105 Ų | 105 | 71.2 Ų | 71.2 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -65.7 | -24.4 | 177.2 | -62 | 177 | 176.8 | 0 | 0 | 112.4 | M42 R74 C75 N79 Y80 | M42-E77 VanDerWaalsContact CE-C 3.46Å; M42-E77 HydrophobicContact CE-CB 3.61Å; R74-E77 WeakPolarHBondContact CG-OE2 3.03Å; R74-E77 WeakPolarHBondContact O-CB 3.31Å; R74-E77 PolarHBondContact O-N 3.43Å; C75-E77 PolarHBondContact O-N 2.79Å; E77-N79 PolarHBondContact O-N 3.43Å; E77-Y80 PolarHBondContact O-N 3.29Å; E77-Y80 VanDerWaalsContact O-N 3.09Å |
| 78 | E | 94.1 | Very high | 91.2 | Very high | 25 Ų | 25 | 68.1 Ų | 68.1 | 12% | 0.117 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -58.2 | -33 | 175.9 | -79.6 | -68.3 | 174.1 | 0 | 0 | 111.9 | R39 C41 M42 C52 C75 F76 Y80 L81 | R39-E78 IonicContact CZ-OE1 3.28Å; R39-E78 IonicContact CZ-OE2 3.55Å; R39-E78 VanDerWaalsContact CZ-OE2 3.28Å; R39-E78 VanDerWaalsContact NH1-CD 3.35Å; R39-E78 IonicContact NH1-OE1 3.06Å; R39-E78 PolarHBondContact NH1-OE1 2.92Å; R39-E78 IonicContact NH1-OE2 2.74Å; R39-E78 PolarHBondContact NH1-OE2 3.2Å; R39-E78 IonicContact NH2-OE1 2.63Å; R39-E78 IonicContact NH2-OE2 3.72Å; R39-E78 PolarHBondContact NH2-OE2 3.31Å; C41-E78 VanDerWaalsContact CA-OE1 3.31Å; C41-E78 WeakPolarHBondContact CA-OE1 3.38Å; M42-E78 HydrophobicContact CE-CB 4.1Å; M42-E78 HydrophobicContact CE-CG 3.52Å; M42-E78 WeakPolarHBondContact CG-OE1 3.42Å; M42-E78 PolarHBondContact N-OE1 3.01Å; C52-E78 HydrophobicContact CB-CG 4.45Å; C75-E78 WeakPolarHBondContact O-CB 3.35Å; C75-E78 PolarHBondContact O-N 2.05Å; F76-E78 PolarHBondContact O-N 2.83Å; E78-Y80 PolarHBondContact O-N 3.48Å; E78-Y80 VanDerWaalsContact O-N 3.14Å; E78-L81 PolarHBondContact O-N 2.93Å; E78-L81 VanDerWaalsContact O-N 3.09Å |
| 79 | N | 91.6 | Very high | 91 | Very high | 95 Ų | 95 | 66.9 Ų | 66.9 | 51% | 0.508 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -63.4 | -21.5 | 179.9 | -67.3 | -36.8 | 0 | 0 | 0 | 113.5 | P55 F76 E77 | P55-N79 WeakPolarHBondContact CB-ND2 3.35Å; F76-N79 WeakPolarHBondContact O-CB 3.24Å; F76-N79 PolarHBondContact O-N 2.78Å; F76-N79 PolarHBondContact O-ND2 2.96Å; E77-N79 PolarHBondContact O-N 3.43Å |
| 80 | Y | 91.3 | Very high | 91.1 | Very high | 172 Ų | 172 | 70.5 Ų | 70.5 | 68% | 0.675 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -95.3 | -8.1 | -179.5 | -59.6 | -74.7 | 0 | 0 | 0 | 112.7 | F76 E77 E78 | F76-Y80 AromaticContact CD1-CE2 3.78Å; F76-Y80 HydrophobicContact CD1-CE2 3.78Å; F76-Y80 AromaticContact CE1-CE2 3.66Å; F76-Y80 HydrophobicContact CE1-CE2 3.66Å; F76-Y80 AromaticContact CE1-CZ 3.87Å; F76-Y80 VanDerWaalsContact CE1-OH 3.29Å; F76-Y80 WeakPolarHBondContact CE1-OH 2.96Å; E77-Y80 PolarHBondContact O-N 3.29Å; E77-Y80 VanDerWaalsContact O-N 3.09Å; E78-Y80 PolarHBondContact O-N 3.48Å; E78-Y80 VanDerWaalsContact O-N 3.14Å |
| 81 | L | 89.6 | Confident | 91.2 | Very high | 73 Ų | 73 | 70.8 Ų | 70.8 | 38% | 0.382 | 39% | 0.389 | S | S | . | . | trans | -86.1 | 120.8 | 179.2 | -65.4 | 179.2 | 0 | 0 | 0 | 110.3 | R39 M42 E78 T83 | R39-L81 VanDerWaalsContact NH2-CB 3.35Å; R39-L81 VanDerWaalsContact NH2-CD1 3.26Å; M42-L81 HydrophobicContact CE-CD1 3.63Å; M42-L81 HydrophobicContact CE-CG 4.49Å; M42-L81 HydrophobicContact SD-CD1 4.17Å; E78-L81 PolarHBondContact O-N 2.93Å; E78-L81 VanDerWaalsContact O-N 3.09Å; L81-T83 PolarHBondContact O-N 2.78Å | ||
| 82 | P | 85.1 | Confident | 91.3 | Very high | 104 Ų | 104 | 68.6 Ų | 68.6 | 68% | 0.675 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -72.8 | -14.5 | -178.7 | 29.8 | -35.6 | 0 | 0 | 0 | 113.1 | ||
| 83 | T | 86.4 | Confident | 91.1 | Very high | 59 Ų | 59 | 70.5 Ų | 70.5 | 36% | 0.362 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -87.7 | 126.7 | 178.3 | 51.7 | 0 | 0 | 0 | 0 | 110.4 | R39 L81 | R39-T83 PolarHBondContact NE-O 3.13Å; R39-T83 PolarHBondContact NE-OG1 3.43Å; R39-T83 PolarHBondContact NH2-O 3.09Å; L81-T83 PolarHBondContact O-N 2.78Å |
| 84 | P | 88.2 | Confident | 90.4 | Very high | 73 Ų | 73 | 72.8 Ų | 72.8 | 47% | 0.474 | 41% | 0.414 | S | S | . | . | trans | -65.1 | 146.4 | 177 | 29.1 | -34.7 | 0 | 0 | 0 | 110.5 | L33 R39 | L33-P84 HydrophobicContact CD1-CG 4.37Å; R39-P84 WeakPolarHBondContact CG-O 3.47Å | ||
| 85 | C | 91.9 | Very high | 89.7 | Confident | 41 Ų | 41 | 74.1 Ų | 74.1 | 28% | 0.277 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 161.1 | 172.1 | 77.2 | 0 | 0 | 0 | 0 | 110.8 | R39 C41 | R39-C85 HydrophobicContact CG-CB 3.97Å; R39-C85 CarbonylContact O-C 3.56Å; R39-C85 WeakPolarHBondContact O-CA 3.49Å; C41-C85 WeakPolarHBondContact CA-SG 3.34Å; C41-C85 HydrophobicContact CB-CB 3.86Å; C41-C85 WeakPolarHBondContact CB-SG 3.32Å; C41-C85 VanDerWaalsContact SG-C 3.57Å; C41-C85 WeakPolarHBondContact SG-CB 3.36Å; C41-C85 CovalentContact SG-SG 2.05Å; C41-C85 PolarHBondContact SG-SG 3.23Å |
| 86 | Q | 90.4 | Very high | 89.2 | Confident | 89 Ų | 89 | 78.6 Ų | 78.6 | 42% | 0.416 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.8 | 173.2 | -179.9 | 166.7 | 47.4 | 0 | 0 | 110.2 | I38 R39 Q40 C41 | I38-Q86 HydrophobicContact CG2-CB 3.5Å; I38-Q86 VanDerWaalsContact CG2-CB 3.5Å; R39-Q86 PolarHBondContact O-N 3.01Å; Q40-Q86 WeakPolarHBondContact CA-O 3.47Å; C41-Q86 PolarHBondContact N-O 3.26Å; C41-Q86 VanDerWaalsContact SG-C 3.57Å |
| 87 | T | 90.8 | Very high | 89.2 | Confident | 26 Ų | 26 | 73.7 Ų | 73.7 | 16% | 0.16 | 44% | 0.443 | C | S | . | . | trans | -80.3 | 146.9 | 171.5 | 40 | 0 | 0 | 0 | 0 | 111.8 | C41 C52 F53 R98 | C41-T87 HydrophobicContact CB-CG2 4.31Å; C52-T87 WeakPolarHBondContact O-CG2 3.45Å; F53-T87 HydrophobicContact CB-CG2 4.29Å; F53-T87 HydrophobicContact CD1-CG2 3.83Å; F53-T87 HydrophobicContact CD2-CG2 4.02Å; F53-T87 HydrophobicContact CE1-CG2 4.07Å; F53-T87 HydrophobicContact CE2-CG2 4.23Å; F53-T87 HydrophobicContact CG-CG2 3.79Å; F53-T87 HydrophobicContact CZ-CG2 4.25Å; T87-R98 WeakPolarHBondContact O-CD 3.38Å; T87-R98 PolarHBondContact O-NH1 2.92Å | ||
| 88 | G | 87.7 | Confident | 89.2 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 44% | 0.443 | 43% | 0.432 | S | S | . | . | trans | -69.9 | -176.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R98 | G88-R98 WeakPolarHBondContact O-CD 3.33Š| ||
| 89 | G | 89.8 | Confident | 89.3 | Confident | 42 Ų | 42 | 71.5 Ų | 71.5 | 43% | 0.433 | 43% | 0.432 | S | S | . | . | S | Bend | trans | 92.5 | 154.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R98 | G89-R98 PolarHBondContact O-NH1 3.48Š|
| 90 | R | 91.6 | Very high | 89.5 | Confident | 110 Ų | 110 | 67.3 Ų | 67.3 | 42% | 0.415 | 41% | 0.411 | S | S | . | . | trans | -71.6 | 148.2 | 174.4 | 64.6 | -176.9 | 175.7 | -150 | -3.4 | 110.3 | R98 C99 D116 L118 | R90-R98 CarbonylContact O-C 3.58Å; R90-R98 WeakPolarHBondContact O-CA 3.34Å; R90-C99 HydrophobicContact CG-CB 4.03Å; R90-C99 WeakPolarHBondContact CG-SG 3.45Å; R90-C99 PolarHBondContact O-N 2.94Å; R90-D116 PolarHBondContact NE-O 2.93Å; R90-D116 PolarHBondContact NH2-O 3.43Å; R90-L118 PolarHBondContact NH2-O 2.95Å | ||
| 91 | P | 93.7 | Very high | 89.7 | Confident | 105 Ų | 105 | 59.5 Ų | 59.5 | 68% | 0.682 | 38% | 0.382 | S | S | * | . | B | Isolated β-bridge | trans | -61.4 | 147 | 173.8 | 27.9 | -34.8 | 0 | 0 | 0 | 110.8 | G97 | P91-G97 WeakPolarHBondContact CA-O 3.03Å |
| 92 | C | 94.3 | Very high | 89.9 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 7% | 0.074 | 39% | 0.385 | C | S | . | . | trans | -150.7 | 160.2 | 178.5 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | G97 R98 C99 C105 | C92-G97 PolarHBondContact N-O 3.46Å; C92-G97 VanDerWaalsContact N-O 3.1Å; C92-R98 WeakPolarHBondContact SG-CA 3.03Å; C92-R98 PolarHBondContact SG-N 2.04Å; C92-C99 PolarHBondContact SG-N 3.06Å; C92-C105 HydrophobicContact CB-CB 3.85Å; C92-C105 WeakPolarHBondContact CB-SG 3.34Å; C92-C105 PolarHBondContact O-SG 3.48Å; C92-C105 VanDerWaalsContact SG-CA 3.51Å; C92-C105 WeakPolarHBondContact SG-CB 3.04Å; C92-C105 CovalentContact SG-SG 2.02Å; C92-C105 PolarHBondContact SG-SG 2.03Å | ||
| 93 | G | 88.4 | Confident | 90.3 | Very high | 50 Ų | 50 | 54.8 Ų | 54.8 | 52% | 0.515 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 68.5 | -165.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 94 | S | 75.8 | Confident | 90.8 | Very high | 114 Ų | 114 | 53.2 Ų | 53.2 | 80% | 0.797 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -86.2 | -22.6 | 177.3 | 42.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 95 | D | 78.5 | Confident | 91.1 | Very high | 113 Ų | 113 | 49.7 Ų | 49.7 | 60% | 0.604 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -104.8 | -169.1 | -169 | -64.4 | -68.8 | 0 | 0 | 0 | 111.8 | G97 | D95-G97 PolarHBondContact O-N 2.91Š|
| 96 | A | 86.6 | Confident | 91.3 | Very high | 94 Ų | 94 | 47.8 Ų | 47.8 | 78% | 0.777 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -68.9 | 26.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 97 | G | 93.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | trans | -70.2 | 149.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P91 C92 D95 C106 | P91-G97 WeakPolarHBondContact CA-O 3.03Å; C92-G97 PolarHBondContact N-O 3.46Å; C92-G97 VanDerWaalsContact N-O 3.1Å; D95-G97 PolarHBondContact O-N 2.91Å; G97-C106 CarbonylContact C-O 3.34Å; G97-C106 WeakPolarHBondContact CA-O 3.39Å | ||
| 98 | R | 94.9 | Very high | 91.6 | Very high | 65 Ų | 65 | 47 Ų | 47 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 144.5 | 176.8 | -67.7 | -169.6 | 172.4 | -130 | -14 | 111.2 | F53 T87 G88 G89 R90 C92 A100 C106 | F53-R98 HydrophobicContact CE1-CB 4.01Å; T87-R98 WeakPolarHBondContact O-CD 3.38Å; T87-R98 PolarHBondContact O-NH1 2.92Å; G88-R98 WeakPolarHBondContact O-CD 3.33Å; G89-R98 PolarHBondContact O-NH1 3.48Å; R90-R98 CarbonylContact O-C 3.58Å; R90-R98 WeakPolarHBondContact O-CA 3.34Å; C92-R98 WeakPolarHBondContact SG-CA 3.03Å; C92-R98 PolarHBondContact SG-N 2.04Å; R98-A100 PolarHBondContact O-N 3Å; R98-A100 VanDerWaalsContact O-N 3.09Å; R98-C106 PolarHBondContact N-O 3.34Å; R98-C106 PolarHBondContact O-N 2.77Å |
| 99 | C | 95.4 | Very high | 91.8 | Very high | 20 Ų | 20 | 51.8 Ų | 51.8 | 14% | 0.135 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 112.9 | 176.9 | -66 | 0 | 0 | 0 | 0 | 109.6 | R90 C92 V104 C117 | R90-C99 HydrophobicContact CG-CB 4.03Å; R90-C99 WeakPolarHBondContact CG-SG 3.45Å; R90-C99 PolarHBondContact O-N 2.94Å; C92-C99 PolarHBondContact SG-N 3.06Å; C99-V104 WeakPolarHBondContact CA-O 3.47Å; C99-C117 WeakPolarHBondContact CA-SG 3.28Å; C99-C117 HydrophobicContact CB-CB 3.66Å; C99-C117 WeakPolarHBondContact CB-SG 3.07Å; C99-C117 WeakPolarHBondContact SG-CA 3.33Å; C99-C117 WeakPolarHBondContact SG-CB 3.04Å; C99-C117 CovalentContact SG-SG 2.04Å; C99-C117 PolarHBondContact SG-SG 2.61Å |
| 100 | A | 95.4 | Very high | 92 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -29 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F53 C59 R98 V104 C106 | F53-A100 HydrophobicContact CD1-CB 3.88Å; F53-A100 HydrophobicContact CD2-CB 4.13Å; F53-A100 HydrophobicContact CE1-CB 3.5Å; F53-A100 VanDerWaalsContact CE1-CB 3.5Å; F53-A100 HydrophobicContact CE2-CB 3.8Å; F53-A100 HydrophobicContact CG-CB 4.2Å; F53-A100 HydrophobicContact CZ-CB 3.47Å; F53-A100 VanDerWaalsContact CZ-CB 3.47Å; C59-A100 HydrophobicContact CB-CB 3.52Å; C59-A100 VanDerWaalsContact SG-CB 3.59Å; R98-A100 PolarHBondContact O-N 3Å; R98-A100 VanDerWaalsContact O-N 3.09Å; A100-V104 PolarHBondContact N-O 2.94Å; A100-C106 HydrophobicContact CB-CB 3.86Å; A100-C106 VanDerWaalsContact CB-SG 3.52Å |
| 101 | A | 95 | Very high | 92.1 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 168.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109 | G103 V104 | A101-G103 PolarHBondContact O-N 2.92Å; A101-V104 HydrophobicContact CB-CB 4.24Å; A101-V104 HydrophobicContact CB-CG2 4.3Å; A101-V104 PolarHBondContact O-N 2.89Å |
| 102 | P | 94.3 | Very high | 92.2 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 116.5 | 178.8 | -27.3 | 35.7 | 0 | 0 | 0 | 111.9 | E61 V104 | E61-P102 WeakPolarHBondContact O-CD 2.99Å; P102-V104 VanDerWaalsContact C-N 3.31Å; P102-V104 PolarHBondContact O-N 2.04Å |
| 103 | G | 94.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 12.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A101 L113 D114 C117 | A101-G103 PolarHBondContact O-N 2.92Å; G103-L113 CarbonylContact O-C 3.55Å; G103-L113 WeakPolarHBondContact O-CA 3.47Å; G103-D114 CarbonylContact C-O 3.51Å; G103-D114 VanDerWaalsContact CA-O 3.28Å; G103-D114 WeakPolarHBondContact CA-O 3.41Å; G103-D114 PolarHBondContact O-N 3.27Å; G103-C117 VanDerWaalsContact N-C 3.28Å; G103-C117 PolarHBondContact N-O 3.09Å |
| 104 | V | 95.3 | Very high | 92.5 | Very high | 25 Ų | 25 | 52.2 Ų | 52.2 | 15% | 0.152 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.8 | -178.8 | -172 | 0 | 0 | 0 | 0 | 110.7 | C99 A100 A101 P102 C111 L113 | C99-V104 WeakPolarHBondContact CA-O 3.47Å; A100-V104 PolarHBondContact N-O 2.94Å; A101-V104 HydrophobicContact CB-CB 4.24Å; A101-V104 HydrophobicContact CB-CG2 4.3Å; A101-V104 PolarHBondContact O-N 2.89Å; P102-V104 VanDerWaalsContact C-N 3.31Å; P102-V104 PolarHBondContact O-N 2.04Å; V104-C111 HydrophobicContact CG1-CB 4.01Å; V104-L113 HydrophobicContact CG2-CD2 4.11Å |
| 105 | C | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132.1 | 171.1 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | C92 C111 F112 D114 | C92-C105 HydrophobicContact CB-CB 3.85Å; C92-C105 WeakPolarHBondContact CB-SG 3.34Å; C92-C105 PolarHBondContact O-SG 3.48Å; C92-C105 VanDerWaalsContact SG-CA 3.51Å; C92-C105 WeakPolarHBondContact SG-CB 3.04Å; C92-C105 CovalentContact SG-SG 2.02Å; C92-C105 PolarHBondContact SG-SG 2.03Å; C105-C111 CarbonylContact O-C 3.56Å; C105-C111 VanDerWaalsContact O-CA 3.22Å; C105-C111 WeakPolarHBondContact O-CA 3.05Å; C105-F112 HydrophobicContact CB-CD2 4.04Å; C105-F112 HydrophobicContact CB-CE1 4.11Å; C105-F112 HydrophobicContact CB-CE2 3.54Å; C105-F112 HydrophobicContact CB-CZ 3.58Å; C105-F112 PolarHBondContact N-O 2.82Å; C105-F112 PolarHBondContact O-N 2.02Å; C105-F112 WeakPolarHBondContact SG-CZ 3.22Å; C105-D114 HydrophobicContact CB-CB 3.65Å |
| 106 | C | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142.1 | 178.5 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | F53 C59 C65 G97 R98 A100 S110 C111 | F53-C106 HydrophobicContact CB-CB 4.33Å; F53-C106 HydrophobicContact CD1-CB 3.95Å; F53-C106 HydrophobicContact CG-CB 4.3Å; C59-C106 VanDerWaalsContact SG-SG 3.61Å; C65-C106 VanDerWaalsContact SG-SG 3.68Å; G97-C106 CarbonylContact C-O 3.34Å; G97-C106 WeakPolarHBondContact CA-O 3.39Å; R98-C106 PolarHBondContact N-O 3.34Å; R98-C106 PolarHBondContact O-N 2.77Å; A100-C106 HydrophobicContact CB-CB 3.86Å; A100-C106 VanDerWaalsContact CB-SG 3.52Å; C106-S110 WeakPolarHBondContact CA-O 3.37Å; C106-C111 HydrophobicContact CB-CB 4.08Å; C106-C111 WeakPolarHBondContact CB-SG 3.38Å; C106-C111 WeakPolarHBondContact SG-CB 3.33Å; C106-C111 CovalentContact SG-SG 2.03Å; C106-C111 PolarHBondContact SG-SG 2.85Å |
| 107 | D | 94 | Very high | 94.2 | Very high | 35 Ų | 35 | 47.3 Ų | 47.3 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | trans | -106.2 | -163.7 | 161.9 | 61.7 | 48 | 0 | 0 | 0 | 110.2 | E109 S110 | D107-E109 VanDerWaalsContact C-N 3.28Å; D107-E109 PolarHBondContact O-N 2.84Å; D107-E109 WeakPolarHBondContact OD1-CA 3.34Å; D107-E109 PolarHBondContact OD1-N 3.1Å; D107-S110 PolarHBondContact N-O 2.89Å; D107-S110 PolarHBondContact OD1-N 2.89Å; D107-S110 PolarHBondContact OD2-OG 3.48Å | ||
| 108 | S | 92.7 | Very high | 94.1 | Very high | 62 Ų | 62 | 52.1 Ų | 52.1 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -72.8 | -19.4 | -178.8 | 65.5 | 0 | 0 | 0 | 0 | 114.4 | F53 G54 | F53-S108 WeakPolarHBondContact O-CA 2.96Å; G54-S108 WeakPolarHBondContact CA-O 3.49Å |
| 109 | E | 92.1 | Very high | 93 | Very high | 144 Ų | 144 | 53.5 Ų | 53.5 | 67% | 0.673 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -113.6 | -30.7 | -171.4 | -53.5 | -55.2 | 121.8 | 0 | 0 | 112.4 | D107 | D107-E109 VanDerWaalsContact C-N 3.28Å; D107-E109 PolarHBondContact O-N 2.84Å; D107-E109 WeakPolarHBondContact OD1-CA 3.34Å; D107-E109 PolarHBondContact OD1-N 3.1Å |
| 110 | S | 93.7 | Very high | 91 | Very high | 52 Ų | 52 | 60.9 Ų | 60.9 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | trans | -149.8 | 162.2 | -170.5 | 76.3 | 0 | 0 | 0 | 0 | 113.8 | C106 D107 | C106-S110 WeakPolarHBondContact CA-O 3.37Å; D107-S110 PolarHBondContact N-O 2.89Å; D107-S110 PolarHBondContact OD1-N 2.89Å; D107-S110 PolarHBondContact OD2-OG 3.48Å | ||
| 111 | C | 95.3 | Very high | 88.9 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 19% | 0.189 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.2 | 172 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | M67 V104 C105 C106 | M67-C111 HydrophobicContact CE-CB 4.12Å; M67-C111 HydrophobicContact SD-CB 4.1Å; V104-C111 HydrophobicContact CG1-CB 4.01Å; C105-C111 CarbonylContact O-C 3.56Å; C105-C111 VanDerWaalsContact O-CA 3.22Å; C105-C111 WeakPolarHBondContact O-CA 3.05Å; C106-C111 HydrophobicContact CB-CB 4.08Å; C106-C111 WeakPolarHBondContact CB-SG 3.38Å; C106-C111 WeakPolarHBondContact SG-CB 3.33Å; C106-C111 CovalentContact SG-SG 2.03Å; C106-C111 PolarHBondContact SG-SG 2.85Å |
| 112 | F | 95 | Very high | 86.7 | Confident | 81 Ų | 81 | 73.6 Ų | 73.6 | 36% | 0.355 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 159.9 | 173.7 | 55.8 | -88 | 0 | 0 | 0 | 110.5 | C105 D114 | C105-F112 HydrophobicContact CB-CD2 4.04Å; C105-F112 HydrophobicContact CB-CE1 4.11Å; C105-F112 HydrophobicContact CB-CE2 3.54Å; C105-F112 HydrophobicContact CB-CZ 3.58Å; C105-F112 PolarHBondContact N-O 2.82Å; C105-F112 PolarHBondContact O-N 2.02Å; C105-F112 WeakPolarHBondContact SG-CZ 3.22Å; F112-D114 HydrophobicContact CD2-CB 4.22Å; F112-D114 HydrophobicContact CE2-CB 4.02Å |
| 113 | L | 94.6 | Very high | 84.1 | Confident | 150 Ų | 150 | 81.7 Ų | 81.7 | 79% | 0.785 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 127.8 | 174.8 | -61.4 | 179.4 | 0 | 0 | 0 | 109 | G103 V104 | G103-L113 CarbonylContact O-C 3.55Å; G103-L113 WeakPolarHBondContact O-CA 3.47Å; V104-L113 HydrophobicContact CG2-CD2 4.11Å |
| 114 | D | 94.2 | Very high | 81.7 | Confident | 16 Ų | 16 | 90.2 Ų | 90.2 | 9% | 0.086 | 47% | 0.472 | C | S | . | . | trans | -135.1 | 113.3 | 179.6 | -167.7 | -23.8 | 0 | 0 | 0 | 109.2 | G103 C105 F112 D116 C117 | G103-D114 CarbonylContact C-O 3.51Å; G103-D114 VanDerWaalsContact CA-O 3.28Å; G103-D114 WeakPolarHBondContact CA-O 3.41Å; G103-D114 PolarHBondContact O-N 3.27Å; C105-D114 HydrophobicContact CB-CB 3.65Å; F112-D114 HydrophobicContact CD2-CB 4.22Å; F112-D114 HydrophobicContact CE2-CB 4.02Å; D114-D116 PolarHBondContact O-N 3.48Å; D114-D116 VanDerWaalsContact OD1-CB 3.26Å; D114-D116 WeakPolarHBondContact OD1-CB 3.33Å; D114-D116 PolarHBondContact OD1-N 3.05Å; D114-C117 HydrophobicContact CB-CB 4.49Å; D114-C117 WeakPolarHBondContact O-CB 3.38Å; D114-C117 PolarHBondContact O-N 2.89Å | ||
| 115 | P | 92.4 | Very high | 79.4 | Confident | 93 Ų | 93 | 94.5 Ų | 94.5 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -62.1 | -24.2 | 178.3 | 28.3 | -35.3 | 0 | 0 | 0 | 112.2 | C117 L118 | P115-C117 PolarHBondContact O-N 3.19Å; P115-C117 VanDerWaalsContact O-N 3.12Å; P115-L118 HydrophobicContact CB-CD1 4.31Å; P115-L118 WeakPolarHBondContact O-CB 3.26Å; P115-L118 PolarHBondContact O-N 2.91Å |
| 116 | D | 91.6 | Very high | 77.4 | Confident | 119 Ų | 119 | 99.6 Ų | 99.6 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -70 | -4.9 | 174.6 | -62.6 | -22.8 | 0 | 0 | 0 | 111.8 | R90 D114 | R90-D116 PolarHBondContact NE-O 2.93Å; R90-D116 PolarHBondContact NH2-O 3.43Å; D114-D116 PolarHBondContact O-N 3.48Å; D114-D116 VanDerWaalsContact OD1-CB 3.26Å; D114-D116 WeakPolarHBondContact OD1-CB 3.33Å; D114-D116 PolarHBondContact OD1-N 3.05Å |
| 117 | C | 93.3 | Very high | 74.8 | Confident | 7 Ų | 7 | 103.8 Ų | 103.8 | 5% | 0.047 | 57% | 0.571 | C | S | . | * | G | 310 helix | trans | -99.7 | 0 | 169.4 | -66.4 | 0 | 0 | 0 | 0 | 113.6 | C99 G103 D114 P115 S119 | C99-C117 WeakPolarHBondContact CA-SG 3.28Å; C99-C117 HydrophobicContact CB-CB 3.66Å; C99-C117 WeakPolarHBondContact CB-SG 3.07Å; C99-C117 WeakPolarHBondContact SG-CA 3.33Å; C99-C117 WeakPolarHBondContact SG-CB 3.04Å; C99-C117 CovalentContact SG-SG 2.04Å; C99-C117 PolarHBondContact SG-SG 2.61Å; G103-C117 VanDerWaalsContact N-C 3.28Å; G103-C117 PolarHBondContact N-O 3.09Å; D114-C117 HydrophobicContact CB-CB 4.49Å; D114-C117 WeakPolarHBondContact O-CB 3.38Å; D114-C117 PolarHBondContact O-N 2.89Å; P115-C117 PolarHBondContact O-N 3.19Å; P115-C117 VanDerWaalsContact O-N 3.12Å; C117-S119 PolarHBondContact O-N 2.88Å |
| 118 | L | 91.1 | Very high | 72 | Confident | 103 Ų | 103 | 110.2 Ų | 110.2 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -72.1 | 127.9 | 169.4 | -66 | 167.5 | 0 | 0 | 0 | 108.4 | R90 P115 E120 | R90-L118 PolarHBondContact NH2-O 2.95Å; P115-L118 HydrophobicContact CB-CD1 4.31Å; P115-L118 WeakPolarHBondContact O-CB 3.26Å; P115-L118 PolarHBondContact O-N 2.91Å; L118-E120 PolarHBondContact O-N 3.22Å |
| 119 | S | 71.9 | Confident | 69.8 | Low | 94 Ų | 94 | 116.1 Ų | 116.1 | 66% | 0.657 | 63% | 0.626 | S | S | * | * | trans | -63.6 | 109.6 | -175.3 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | C117 | C117-S119 PolarHBondContact O-N 2.88Š| ||
| 120 | E | 53.4 | Low | 67.6 | Low | 176 Ų | 176 | 115 Ų | 115 | 82% | 0.822 | 63% | 0.633 | S | S | * | * | -83.7 | 109.2 | 127.9 | -70.1 | -159.8 | 132.7 | 0 | 0 | 105.8 | L118 | L118-E120 PolarHBondContact O-N 3.22Š| |||
| 121 | S | 51.2 | Low | 65 | Low | 109 Ų | 109 | 117.1 Ų | 117.1 | 76% | 0.762 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -45 | 139.8 | 177.7 | 44.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 122 | Q | 48.4 | Very low | 62.5 | Low | 172 Ų | 172 | 119.8 Ų | 119.8 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | trans | 109.1 | 76.4 | 159.5 | -156.6 | 168 | 34.7 | 0 | 0 | 116.5 | ||||
| 123 | Y | 40.6 | Very low | 59.7 | Low | 240 Ų | 240 | 120.2 Ų | 120.2 | 94% | 0.941 | 71% | 0.705 | S | S | * | * | trans | -138.5 | 82.7 | 136.7 | -86.6 | -78.7 | 0 | 0 | 0 | 109.2 | ||||
| 124 | H | 43.1 | Very low | 57.7 | Low | 187 Ų | 187 | 120.1 Ų | 120.1 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | trans | -61.4 | 127.8 | 154.3 | -101.1 | -10.4 | 0 | 0 | 0 | 108.9 | ||||
| 125 | S | 47.9 | Very low | 55.4 | Low | 116 Ų | 116 | 124.5 Ų | 124.5 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | trans | -173.6 | 156 | 143.2 | -89.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 126 | P | 52.6 | Low | 53.4 | Low | 106 Ų | 106 | 126.6 Ų | 126.6 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | cis | -142.6 | 139.8 | 16.7 | 33.8 | -13 | 0 | 0 | 0 | 115.5 | ||||
| 127 | A | 41.2 | Very low | 52.1 | Low | 89 Ų | 89 | 124.1 Ų | 124.1 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | 173.3 | 94.1 | 146.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 128 | D | 35.9 | Very low | 50.6 | Low | 170 Ų | 170 | 129 Ų | 129 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | -150.5 | 93.9 | 145.9 | -95.5 | -28.9 | 0 | 0 | 0 | 107.7 | S130 | D128-S130 PolarHBondContact O-N 3.12Š| ||
| 129 | H | 45.6 | Very low | 49.3 | Very low | 187 Ų | 187 | 125.9 Ų | 125.9 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | trans | -73.7 | 112.1 | 159.1 | -78.8 | -80.4 | 0 | 0 | 0 | 107.5 | ||||
| 130 | S | 47.2 | Very low | 49.2 | Very low | 119 Ų | 119 | 127 Ų | 127 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | 170.6 | 152.7 | 115 | 41.7 | 0 | 0 | 0 | 0 | 114.4 | D128 | D128-S130 PolarHBondContact O-N 3.12Š| |||
| 131 | A | 37.7 | Very low | 50 | Low | 97 Ų | 97 | 123.3 Ų | 123.3 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | 79.8 | 95.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 132 | G | 43.5 | Very low | 51 | Low | 85 Ų | 85 | 123.2 Ų | 123.2 | 88% | 0.876 | 74% | 0.736 | S | S | * | * | trans | -60.6 | 135.2 | 150.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 133 | A | 37.2 | Very low | 52.1 | Low | 89 Ų | 89 | 120.2 Ų | 120.2 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | trans | -157.1 | 102.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | S135 | A133-S135 PolarHBondContact O-N 2.94Š| ||
| 134 | T | 51.4 | Low | 53.6 | Low | 149 Ų | 149 | 116.9 Ų | 116.9 | 91% | 0.914 | 71% | 0.711 | S | S | * | * | trans | -54.7 | 114.4 | 161.3 | 46.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 135 | S | 45.6 | Very low | 55 | Low | 108 Ų | 108 | 113.1 Ų | 113.1 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | trans | -130.6 | 84 | 160.3 | 54 | 0 | 0 | 0 | 0 | 107.8 | A133 S137 | A133-S135 PolarHBondContact O-N 2.94Å; S135-S137 PolarHBondContact O-N 3.06Å | ||
| 136 | D | 50.7 | Low | 56.2 | Low | 137 Ų | 137 | 112.3 Ų | 112.3 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | trans | -62.9 | 104 | 170.1 | -163.9 | 18.8 | 0 | 0 | 0 | 107.3 | ||||
| 137 | S | 65.1 | Low | 57 | Low | 67 Ų | 67 | 113.5 Ų | 113.5 | 47% | 0.469 | 68% | 0.679 | S | S | . | * | trans | -87.1 | 128.6 | -177.8 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | S135 G139 E140 | S135-S137 PolarHBondContact O-N 3.06Å; S137-G139 PolarHBondContact O-N 3.03Å; S137-E140 PolarHBondContact O-N 2.93Å | ||
| 138 | P | 60.5 | Low | 58.3 | Low | 108 Ų | 108 | 117.1 Ų | 117.1 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -60.3 | -15.5 | -176.2 | 23.6 | -33.5 | 0 | 0 | 0 | 113.7 | L142 | P138-L142 PolarHBondContact O-N 3.42Å |
| 139 | G | 65.4 | Low | 59.5 | Low | 39 Ų | 39 | 112.3 Ų | 112.3 | 40% | 0.402 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -71.2 | -30.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S137 L142 L143 | S137-G139 PolarHBondContact O-N 3.03Å; G139-L142 PolarHBondContact O-N 3.13Å; G139-L143 PolarHBondContact O-N 3.5Å; G139-L143 VanDerWaalsContact O-N 3.13Å |
| 140 | E | 69.1 | Low | 60.2 | Low | 118 Ų | 118 | 108.6 Ų | 108.6 | 55% | 0.551 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -78.3 | -35.6 | -175.8 | -147.6 | -173.8 | 158.1 | 0 | 0 | 111.7 | S137 L142 L143 R144 | S137-E140 PolarHBondContact O-N 2.93Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-L143 PolarHBondContact O-N 3.12Å; E140-R144 PolarHBondContact O-N 3.45Å; E140-R144 VanDerWaalsContact O-N 3.12Å |
| 141 | L | 70.4 | Confident | 60.7 | Low | 98 Ų | 98 | 113.7 Ų | 113.7 | 51% | 0.513 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -67.5 | -35.7 | 173.5 | -157.8 | 149.4 | 0 | 0 | 0 | 111.2 | R144 L145 | L141-R144 PolarHBondContact O-N 3.4Å; L141-L145 HydrophobicContact CD2-CD1 3.64Å; L141-L145 HydrophobicContact CD2-CG 4.23Å; L141-L145 WeakPolarHBondContact O-CG 3.39Å; L141-L145 PolarHBondContact O-N 3.36Å |
| 142 | L | 71.7 | Confident | 61.6 | Low | 107 Ų | 107 | 112.3 Ų | 112.3 | 56% | 0.56 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.3 | -38.6 | 177.2 | -150.6 | 134.5 | 0 | 0 | 0 | 111.9 | P138 G139 E140 L145 L146 | P138-L142 PolarHBondContact O-N 3.42Å; G139-L142 PolarHBondContact O-N 3.13Å; E140-L142 VanDerWaalsContact C-N 3.33Å; L142-L145 PolarHBondContact O-N 3.38Å; L142-L146 HydrophobicContact CD2-CD1 3.94Å; L142-L146 HydrophobicContact CD2-CG 4.43Å; L142-L146 WeakPolarHBondContact O-CG 3.34Å; L142-L146 PolarHBondContact O-N 3.32Å |
| 143 | L | 71.3 | Confident | 62.2 | Low | 109 Ų | 109 | 117.1 Ų | 117.1 | 57% | 0.571 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63 | -43.3 | 172.3 | -116 | 82.5 | 0 | 0 | 0 | 111.9 | G139 E140 L145 L146 H147 | G139-L143 PolarHBondContact O-N 3.5Å; G139-L143 VanDerWaalsContact O-N 3.13Å; E140-L143 PolarHBondContact O-N 3.12Å; L143-L145 VanDerWaalsContact C-N 3.35Å; L143-L145 PolarHBondContact O-N 3.01Å; L143-L146 PolarHBondContact O-N 3.16Å; L143-H147 PolarHBondContact O-CD2 3.02Å; L143-H147 PolarHBondContact O-N 3.46Å |
| 144 | R | 73.5 | Confident | 62.9 | Low | 169 Ų | 169 | 118 Ų | 118 | 64% | 0.638 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -62.1 | -41.5 | 176.9 | -76.3 | -174.7 | 174.2 | 172.3 | 2.9 | 112 | E140 L141 H147 F148 | E140-R144 PolarHBondContact O-N 3.45Å; E140-R144 VanDerWaalsContact O-N 3.12Å; L141-R144 PolarHBondContact O-N 3.4Å; R144-H147 PolarHBondContact O-N 3.02Å; R144-F148 WeakPolarHBondContact O-CD2 3.46Å; R144-F148 PolarHBondContact O-N 3.14Å; R144-F148 VanDerWaalsContact O-N 3.14Å |
| 145 | L | 72.5 | Confident | 62.8 | Low | 109 Ų | 109 | 119.8 Ų | 119.8 | 57% | 0.571 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.7 | -40 | 176.6 | -74.9 | 170.1 | 0 | 0 | 0 | 112.5 | L141 L142 L143 H147 F148 A149 | L141-L145 HydrophobicContact CD2-CD1 3.64Å; L141-L145 HydrophobicContact CD2-CG 4.23Å; L141-L145 WeakPolarHBondContact O-CG 3.39Å; L141-L145 PolarHBondContact O-N 3.36Å; L142-L145 PolarHBondContact O-N 3.38Å; L143-L145 VanDerWaalsContact C-N 3.35Å; L143-L145 PolarHBondContact O-N 3.01Å; L145-H147 VanDerWaalsContact C-N 3.33Å; L145-H147 PolarHBondContact O-N 3.01Å; L145-F148 PolarHBondContact O-N 3.24Å; L145-A149 PolarHBondContact O-N 3.47Å |
| 146 | L | 71.8 | Confident | 62.6 | Low | 98 Ų | 98 | 129.4 Ų | 129.4 | 51% | 0.513 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -63.9 | -38.2 | 175.5 | -71.8 | 173 | 0 | 0 | 0 | 112.1 | L142 L143 F148 A149 T150 | L142-L146 HydrophobicContact CD2-CD1 3.94Å; L142-L146 HydrophobicContact CD2-CG 4.43Å; L142-L146 WeakPolarHBondContact O-CG 3.34Å; L142-L146 PolarHBondContact O-N 3.32Å; L143-L146 PolarHBondContact O-N 3.16Å; L146-F148 VanDerWaalsContact C-N 3.32Å; L146-F148 PolarHBondContact O-N 3.2Å; L146-A149 PolarHBondContact O-N 3.38Å; L146-T150 WeakPolarHBondContact O-CG2 3.43Å; L146-T150 PolarHBondContact O-N 3.25Å; L146-T150 PolarHBondContact O-OG1 3.19Å |
| 147 | H | 70.9 | Confident | 63.2 | Low | 131 Ų | 131 | 129.1 Ų | 129.1 | 61% | 0.606 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67 | -30.4 | 175.3 | -84.3 | -120.5 | 0 | 0 | 0 | 113.4 | L143 R144 L145 T150 | L143-H147 PolarHBondContact O-CD2 3.02Å; L143-H147 PolarHBondContact O-N 3.46Å; R144-H147 PolarHBondContact O-N 3.02Å; L145-H147 VanDerWaalsContact C-N 3.33Å; L145-H147 PolarHBondContact O-N 3.01Å; H147-T150 PolarHBondContact O-OG1 3.46Å |
| 148 | F | 66.8 | Low | 63.1 | Low | 165 Ų | 165 | 132.3 Ų | 132.3 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -76.9 | -35.7 | 174.5 | -92.7 | -79.9 | 0 | 0 | 0 | 112.4 | R144 L145 L146 R151 | R144-F148 WeakPolarHBondContact O-CD2 3.46Å; R144-F148 PolarHBondContact O-N 3.14Å; R144-F148 VanDerWaalsContact O-N 3.14Å; L145-F148 PolarHBondContact O-N 3.24Å; L146-F148 VanDerWaalsContact C-N 3.32Å; L146-F148 PolarHBondContact O-N 3.2Å; F148-R151 PolarHBondContact O-N 3.49Å |
| 149 | A | 62.5 | Low | 63.2 | Low | 70 Ų | 70 | 133.7 Ų | 133.7 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69 | -33.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | L145 L146 R151 | L145-A149 PolarHBondContact O-N 3.47Å; L146-A149 PolarHBondContact O-N 3.38Å; A149-R151 VanDerWaalsContact C-N 3.33Å; A149-R151 PolarHBondContact O-N 3.48Å |
| 150 | T | 60.2 | Low | 63.1 | Low | 108 Ų | 108 | 139.2 Ų | 139.2 | 66% | 0.663 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -76.4 | -18.6 | 179.7 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | L146 H147 G152 | L146-T150 WeakPolarHBondContact O-CG2 3.43Å; L146-T150 PolarHBondContact O-N 3.25Å; L146-T150 PolarHBondContact O-OG1 3.19Å; H147-T150 PolarHBondContact O-OG1 3.46Å; T150-G152 VanDerWaalsContact C-N 3.3Å; T150-G152 PolarHBondContact O-N 3.47Å |
| 151 | R | 57.9 | Low | 62.7 | Low | 227 Ų | 227 | 140.6 Ų | 140.6 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -4.3 | -179.7 | -146.2 | 173.3 | 176.8 | 168.6 | -0.8 | 113.8 | F148 A149 | F148-R151 PolarHBondContact O-N 3.49Å; A149-R151 VanDerWaalsContact C-N 3.33Å; A149-R151 PolarHBondContact O-N 3.48Å |
| 152 | G | 55.4 | Low | 62.2 | Low | 67 Ų | 67 | 143.4 Ų | 143.4 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 8.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | T150 | T150-G152 VanDerWaalsContact C-N 3.3Å; T150-G152 PolarHBondContact O-N 3.47Å |
| 153 | Q | 55.5 | Low | 61.5 | Low | 186 Ų | 186 | 146 Ų | 146 | 87% | 0.869 | 72% | 0.723 | S | S | * | * | trans | -114.8 | 22.4 | -175.9 | -92.8 | -162.1 | -25.8 | 0 | 0 | 115.8 | ||||
| 154 | S | 53.3 | Low | 60.8 | Low | 109 Ų | 109 | 148.8 Ų | 148.8 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | -120.1 | 63.4 | 173.8 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 155 | E | 48.1 | Very low | 59.7 | Low | 186 Ų | 186 | 147.2 Ų | 147.2 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | trans | -147.7 | 86 | 160 | -78.7 | -74.3 | 102.2 | 0 | 0 | 108.1 | ||||
| 156 | Y | 41.3 | Very low | 58.5 | Low | 310 Ų | 310 | 150.6 Ų | 150.6 | 100% | 1.216 | 76% | 0.759 | S | S | * | * | trans | -159.4 | 0 | 144.8 | -127.3 | -82.3 | 0 | 0 | 0 | 110.1 |
Retrieved 156 of 156 residues in 371.8 ms
(Link to these results)