| 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 | 52.3 | Low | 60.7 | Low | 207 Ų | 207 | 114.5 Ų | 114.5 | 100% | 1.02 | 61% | 0.605 | S | S | * | * | 0 | -11.9 | 0 | -75.2 | 165.3 | 66.9 | 0 | 0 | 113.1 | S4 | M1-S4 PolarHBondContact O-OG 3.05Š| |||
| 2 | E | 58.3 | Low | 60.8 | Low | 166 Ų | 166 | 116.7 Ų | 116.7 | 78% | 0.776 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -80.8 | -31.1 | 178.6 | -62.9 | -68.6 | 103.8 | 0 | 0 | 114.2 | A5 F6 | E2-A5 PolarHBondContact O-N 3.3Å; E2-F6 PolarHBondContact O-N 2.96Å |
| 3 | T | 58 | Low | 60.9 | Low | 118 Ų | 118 | 118.8 Ų | 118.8 | 72% | 0.724 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73 | -29.5 | -175 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | S7 | T3-S7 PolarHBondContact O-N 2.78Å; T3-S7 PolarHBondContact O-OG 3.35Å |
| 4 | S | 58.8 | Low | 60.9 | Low | 76 Ų | 76 | 120.1 Ų | 120.1 | 53% | 0.531 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -74.8 | -30.4 | 177.7 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | M1 S7 C8 | M1-S4 PolarHBondContact O-OG 3.05Å; S4-S7 WeakPolarHBondContact CA-OG 3.26Å; S4-S7 PolarHBondContact O-OG 3.04Å; S4-S7 VanDerWaalsContact O-OG 3.13Å; S4-C8 VanDerWaalsContact O-CB 3.29Å; S4-C8 WeakPolarHBondContact O-CB 3.25Å; S4-C8 PolarHBondContact O-N 3.34Å |
| 5 | A | 60.8 | Low | 60.9 | Low | 49 Ų | 49 | 120.1 Ų | 120.1 | 41% | 0.405 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.1 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | E2 C8 W9 | E2-A5 PolarHBondContact O-N 3.3Å; A5-C8 PolarHBondContact O-N 2.65Å; A5-W9 PolarHBondContact O-N 3.24Å |
| 6 | F | 60.5 | Low | 61.2 | Low | 157 Ų | 157 | 124.3 Ų | 124.3 | 69% | 0.689 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.4 | -42.3 | 179.7 | -150.3 | -92.2 | 0 | 0 | 0 | 112.5 | E2 C8 W9 V10 | E2-F6 PolarHBondContact O-N 2.96Å; F6-C8 VanDerWaalsContact C-N 3.34Å; F6-C8 PolarHBondContact O-N 3.32Å; F6-W9 PolarHBondContact O-N 3.27Å; F6-V10 HydrophobicContact CD1-CG2 4.36Å; F6-V10 HydrophobicContact CE1-CG2 4.42Å; F6-V10 WeakPolarHBondContact O-CG2 3.35Å; F6-V10 PolarHBondContact O-N 2.85Å; F6-V10 VanDerWaalsContact O-N 3.13Å |
| 7 | S | 61.6 | Low | 61.2 | Low | 62 Ų | 62 | 122.6 Ų | 122.6 | 43% | 0.434 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.1 | -35.7 | 175.3 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | T3 S4 L11 | T3-S7 PolarHBondContact O-N 2.78Å; T3-S7 PolarHBondContact O-OG 3.35Å; S4-S7 WeakPolarHBondContact CA-OG 3.26Å; S4-S7 PolarHBondContact O-OG 3.04Å; S4-S7 VanDerWaalsContact O-OG 3.13Å; S7-L11 WeakPolarHBondContact O-CB 3.38Å; S7-L11 WeakPolarHBondContact O-CD1 3.38Å; S7-L11 VanDerWaalsContact O-CG 3.27Å; S7-L11 WeakPolarHBondContact O-CG 3.33Å; S7-L11 PolarHBondContact O-N 2.92Å |
| 8 | C | 62 | Low | 61.6 | Low | 57 Ų | 57 | 123.3 Ų | 123.3 | 39% | 0.385 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.6 | -40.6 | 175.4 | -153.3 | 0 | 0 | 0 | 0 | 111.7 | S4 A5 F6 L11 F12 | S4-C8 VanDerWaalsContact O-CB 3.29Å; S4-C8 WeakPolarHBondContact O-CB 3.25Å; S4-C8 PolarHBondContact O-N 3.34Å; A5-C8 PolarHBondContact O-N 2.65Å; F6-C8 VanDerWaalsContact C-N 3.34Å; F6-C8 PolarHBondContact O-N 3.32Å; C8-L11 PolarHBondContact O-N 3.49Å; C8-F12 WeakPolarHBondContact O-CD2 3.28Å; C8-F12 PolarHBondContact O-N 2.86Å |
| 9 | W | 66.6 | Low | 62.2 | Low | 198 Ų | 198 | 121.2 Ų | 121.2 | 75% | 0.75 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.9 | -41.1 | 177.4 | -77.4 | 37.5 | 0 | 0 | 0 | 113 | A5 F6 L11 F12 L13 | A5-W9 PolarHBondContact O-N 3.24Å; F6-W9 PolarHBondContact O-N 3.27Å; W9-L11 VanDerWaalsContact C-N 3.33Å; W9-F12 PolarHBondContact O-N 2.79Å; W9-L13 PolarHBondContact O-N 2.88Å |
| 10 | V | 67 | Low | 63.1 | Low | 71 Ų | 71 | 119.3 Ų | 119.3 | 43% | 0.43 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.6 | -40 | 175.2 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | F6 L13 L14 | F6-V10 HydrophobicContact CD1-CG2 4.36Å; F6-V10 HydrophobicContact CE1-CG2 4.42Å; F6-V10 WeakPolarHBondContact O-CG2 3.35Å; F6-V10 PolarHBondContact O-N 2.85Å; F6-V10 VanDerWaalsContact O-N 3.13Å; V10-L13 PolarHBondContact O-N 2.04Å; V10-L14 HydrophobicContact CG1-CD1 4.27Å; V10-L14 WeakPolarHBondContact O-CG 3.49Å; V10-L14 PolarHBondContact O-N 2.65Å |
| 11 | L | 62.4 | Low | 64.3 | Low | 98 Ų | 98 | 120.1 Ų | 120.1 | 51% | 0.513 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.9 | -40.8 | 174.6 | -74 | 163.7 | 0 | 0 | 0 | 112 | S7 C8 W9 L13 L14 I15 | S7-L11 WeakPolarHBondContact O-CB 3.38Å; S7-L11 WeakPolarHBondContact O-CD1 3.38Å; S7-L11 VanDerWaalsContact O-CG 3.27Å; S7-L11 WeakPolarHBondContact O-CG 3.33Å; S7-L11 PolarHBondContact O-N 2.92Å; C8-L11 PolarHBondContact O-N 3.49Å; W9-L11 VanDerWaalsContact C-N 3.33Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.19Å; L11-L14 PolarHBondContact O-N 3.37Å; L11-I15 WeakPolarHBondContact O-CD1 3.11Å; L11-I15 WeakPolarHBondContact O-CG1 3.37Å; L11-I15 PolarHBondContact O-N 2.74Å |
| 12 | F | 61 | Low | 66.4 | Low | 141 Ų | 141 | 111 Ų | 111 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.7 | -35.8 | 177 | -87.8 | -69.7 | 0 | 0 | 0 | 113.7 | C8 W9 I15 Y16 | C8-F12 WeakPolarHBondContact O-CD2 3.28Å; C8-F12 PolarHBondContact O-N 2.86Å; W9-F12 PolarHBondContact O-N 2.79Å; F12-I15 PolarHBondContact O-N 3.45Å; F12-Y16 PolarHBondContact O-N 3.1Å |
| 13 | L | 62.9 | Low | 68.1 | Low | 144 Ų | 144 | 107.7 Ų | 107.7 | 75% | 0.754 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.6 | -32.3 | 176.4 | -71.7 | 173 | 0 | 0 | 0 | 112.8 | W9 V10 L11 I15 | W9-L13 PolarHBondContact O-N 2.88Å; V10-L13 PolarHBondContact O-N 2.04Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.19Å; L13-I15 VanDerWaalsContact C-N 3.31Å |
| 14 | L | 61.1 | Low | 70 | Confident | 138 Ų | 138 | 104.7 Ų | 104.7 | 72% | 0.723 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -76.9 | -17.6 | 179.3 | -67.4 | 171.7 | 0 | 0 | 0 | 113.4 | V10 L11 | V10-L14 HydrophobicContact CG1-CD1 4.27Å; V10-L14 WeakPolarHBondContact O-CG 3.49Å; V10-L14 PolarHBondContact O-N 2.65Å; L11-L14 PolarHBondContact O-N 3.37Å |
| 15 | I | 60.3 | Low | 71.7 | Confident | 120 Ų | 120 | 103.8 Ų | 103.8 | 62% | 0.615 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -101.4 | -8.9 | -176.1 | -55.3 | 159.7 | 0 | 0 | 0 | 111.6 | L11 F12 L13 P17 | L11-I15 WeakPolarHBondContact O-CD1 3.11Å; L11-I15 WeakPolarHBondContact O-CG1 3.37Å; L11-I15 PolarHBondContact O-N 2.74Å; F12-I15 PolarHBondContact O-N 3.45Å; L13-I15 VanDerWaalsContact C-N 3.31Å; I15-P17 WeakPolarHBondContact O-CD 3.34Å |
| 16 | Y | 65.8 | Low | 73.2 | Confident | 186 Ų | 186 | 109.7 Ų | 109.7 | 73% | 0.729 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -64.7 | 113.3 | 178.8 | -139.2 | -90.5 | 0 | 0 | 0 | 109.1 | F12 V18 | F12-Y16 PolarHBondContact O-N 3.1Å; Y16-V18 PolarHBondContact O-N 3.21Å |
| 17 | P | 61.2 | Low | 74.7 | Confident | 97 Ų | 97 | 104.4 Ų | 104.4 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | trans | -65.4 | 108.7 | 177.9 | 26.7 | -31.2 | 0 | 0 | 0 | 107.2 | I15 V19 | I15-P17 WeakPolarHBondContact O-CD 3.34Å; P17-V19 PolarHBondContact O-N 3.13Å | ||
| 18 | V | 68.7 | Low | 76 | Confident | 135 Ų | 135 | 104.4 Ų | 104.4 | 82% | 0.818 | 55% | 0.548 | S | S | * | . | trans | -71.2 | 89.9 | 169.1 | -177.6 | 0 | 0 | 0 | 0 | 105.9 | Y16 P20 | Y16-V18 PolarHBondContact O-N 3.21Å; V18-P20 WeakPolarHBondContact O-CD 3.09Å | ||
| 19 | V | 72.8 | Confident | 77.3 | Confident | 82 Ų | 82 | 104.3 Ų | 104.3 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 122.2 | 172.6 | -171.8 | 0 | 0 | 0 | 0 | 106.9 | P17 M21 V50 | P17-V19 PolarHBondContact O-N 3.13Å; V19-M21 PolarHBondContact O-N 2.89Å; V19-V50 HydrophobicContact CB-CG2 4.23Å; V19-V50 HydrophobicContact CG1-CB 4.22Å; V19-V50 HydrophobicContact CG1-CG1 3.47Å; V19-V50 VanDerWaalsContact CG1-CG1 3.47Å; V19-V50 HydrophobicContact CG1-CG2 3.69Å |
| 20 | P | 80.3 | Confident | 78.5 | Confident | 84 Ų | 84 | 98.9 Ų | 98.9 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 131.6 | -178.9 | 24.7 | -32.2 | 0 | 0 | 0 | 109.5 | V18 G49 V50 | V18-P20 WeakPolarHBondContact O-CD 3.09Å; P20-G49 WeakPolarHBondContact O-CA 3.02Å; P20-V50 PolarHBondContact O-N 3.11Å; P20-V50 VanDerWaalsContact O-N 3.12Å |
| 21 | M | 88.7 | Confident | 79.6 | Confident | 136 Ų | 136 | 95.6 Ų | 95.6 | 67% | 0.67 | 51% | 0.505 | S | S | * | . | B | Isolated β-bridge | trans | -58.8 | 167.5 | 167.2 | -66 | -70.8 | -170.1 | 0 | 0 | 109.7 | V19 L23 | V19-M21 PolarHBondContact O-N 2.89Å; M21-L23 HydrophobicContact CB-CD1 3.82Å; M21-L23 WeakPolarHBondContact O-CD1 3.13Å; M21-L23 PolarHBondContact O-N 2.79Å |
| 22 | C | 95.3 | Very high | 81 | Confident | 16 Ų | 16 | 94.1 Ų | 94.1 | 11% | 0.108 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -58.5 | 109.9 | 176.2 | -179.8 | 0 | 0 | 0 | 0 | 112.5 | V50 C72 H104 | C22-V50 PolarHBondContact N-O 2.86Å; C22-C72 WeakPolarHBondContact CA-SG 3.27Å; C22-C72 HydrophobicContact CB-CB 3.7Å; C22-C72 WeakPolarHBondContact CB-SG 3.37Å; C22-C72 WeakPolarHBondContact SG-CA 3.42Å; C22-C72 WeakPolarHBondContact SG-CB 3.17Å; C22-C72 CovalentContact SG-SG 2.03Å; C22-C72 PolarHBondContact SG-SG 2.97Å; C22-H104 PolarHBondContact SG-O 2.82Å |
| 23 | L | 95.6 | Very high | 82.4 | Confident | 97 Ų | 97 | 88.8 Ų | 88.8 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 159.2 | -179.3 | -79.5 | 100.2 | 0 | 0 | 0 | 112.2 | M21 T25 M48 C103 | M21-L23 HydrophobicContact CB-CD1 3.82Å; M21-L23 WeakPolarHBondContact O-CD1 3.13Å; M21-L23 PolarHBondContact O-N 2.79Å; L23-T25 PolarHBondContact O-N 3.13Å; L23-T25 PolarHBondContact O-OG1 2.92Å; L23-M48 PolarHBondContact N-O 3.05Å; L23-M48 PolarHBondContact O-N 3.29Å; L23-M48 VanDerWaalsContact O-N 3.13Å; L23-M48 VanDerWaalsContact O-O 3.05Å; L23-C103 VanDerWaalsContact C-SG 3.59Å |
| 24 | P | 96.6 | Very high | 83.8 | Confident | 54 Ų | 54 | 87.6 Ų | 87.6 | 35% | 0.351 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 128.8 | 169 | -19.8 | 31.8 | 0 | 0 | 0 | 111 | I46 A100 C103 | P24-I46 CarbonylContact C-O 3.52Å; P24-I46 WeakPolarHBondContact CA-O 3.32Å; P24-A100 HydrophobicContact CB-CB 4.22Å; P24-C103 VanDerWaalsContact N-SG 3.39Å |
| 25 | T | 93.9 | Very high | 85.3 | Confident | 57 Ų | 57 | 84.5 Ų | 84.5 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.5 | -177.6 | -57.4 | 0 | 0 | 0 | 0 | 109.5 | L23 S27 T45 I46 | L23-T25 PolarHBondContact O-N 3.13Å; L23-T25 PolarHBondContact O-OG1 2.92Å; T25-S27 PolarHBondContact O-N 3.35Å; T25-T45 CarbonylContact O-C 3.56Å; T25-T45 VanDerWaalsContact O-CA 3.32Å; T25-T45 WeakPolarHBondContact O-CA 3.49Å; T25-I46 PolarHBondContact N-O 3.48Å; T25-I46 PolarHBondContact O-N 3.07Å |
| 26 | E | 93.6 | Very high | 86.8 | Confident | 174 Ų | 174 | 78.8 Ų | 78.8 | 81% | 0.813 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 132.1 | 176.4 | -65.5 | -167.8 | 143.6 | 0 | 0 | 110.7 | T44 T45 | E26-T44 WeakPolarHBondContact CA-O 3.37Å; E26-T45 HydrophobicContact CG-CG2 4.28Å |
| 27 | S | 90.6 | Very high | 88 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 155.6 | 178.5 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | T25 T44 | T25-S27 PolarHBondContact O-N 3.35Å; S27-T44 PolarHBondContact N-O 3.31Å; S27-T44 PolarHBondContact O-N 3.02Å |
| 28 | T | 89.8 | Confident | 89.4 | Confident | 62 Ų | 62 | 74 Ų | 74 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 116.1 | 174.5 | -55.3 | 0 | 0 | 0 | 0 | 109 | F30 A41 V42 | T28-F30 HydrophobicContact CG2-CE1 4.35Å; T28-F30 HydrophobicContact CG2-CE2 4.04Å; T28-F30 HydrophobicContact CG2-CZ 3.93Å; T28-A41 HydrophobicContact CG2-CB 3.87Å; T28-V42 CarbonylContact C-O 3.59Å; T28-V42 WeakPolarHBondContact CA-O 3.23Å |
| 29 | L | 89.8 | Confident | 90.5 | Very high | 54 Ų | 54 | 67.6 Ų | 67.6 | 28% | 0.283 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.6 | 171.7 | 179.6 | 66.4 | 0 | 0 | 0 | 109.5 | V31 A41 V42 T44 Y97 | L29-V31 HydrophobicContact CD2-CG2 3.79Å; L29-V31 HydrophobicContact CG-CG2 3.81Å; L29-A41 WeakPolarHBondContact O-CA 3.27Å; L29-V42 PolarHBondContact N-O 2Å; L29-V42 PolarHBondContact O-N 2.85Å; L29-T44 HydrophobicContact CB-CG2 3.88Å; L29-Y97 HydrophobicContact CD2-CD2 4.13Å; L29-Y97 HydrophobicContact CD2-CG 4.01Å |
| 30 | F | 90.8 | Very high | 91.4 | Very high | 85 Ų | 85 | 63.7 Ų | 63.7 | 37% | 0.373 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.7 | 173.7 | -67.5 | -83.5 | 0 | 0 | 0 | 109.3 | T28 A41 A124 V130 | T28-F30 HydrophobicContact CG2-CE1 4.35Å; T28-F30 HydrophobicContact CG2-CE2 4.04Å; T28-F30 HydrophobicContact CG2-CZ 3.93Å; F30-A41 HydrophobicContact CD1-CB 3.98Å; F30-A41 HydrophobicContact CE1-CB 3.79Å; F30-A124 VanDerWaalsContact CD2-O 3.27Å; F30-A124 WeakPolarHBondContact CD2-O 3.28Å; F30-V130 HydrophobicContact CD1-CG1 4.32Å; F30-V130 HydrophobicContact CE1-CG1 4.14Å |
| 31 | V | 90.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.1 | -174 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | L29 C39 V40 V42 L84 Y95 | L29-V31 HydrophobicContact CD2-CG2 3.79Å; L29-V31 HydrophobicContact CG-CG2 3.81Å; V31-C39 CarbonylContact O-C 3.56Å; V31-C39 WeakPolarHBondContact O-CA 2.96Å; V31-V40 PolarHBondContact N-O 2.8Å; V31-V40 PolarHBondContact O-N 2.98Å; V31-V42 HydrophobicContact CG2-CG2 4.46Å; V31-L84 HydrophobicContact CG1-CD1 4.11Å; V31-L84 HydrophobicContact CG1-CD2 4.3Å; V31-Y95 HydrophobicContact CB-CD1 4.25Å; V31-Y95 HydrophobicContact CB-CE1 4.33Å; V31-Y95 HydrophobicContact CG1-CD1 3.3Å; V31-Y95 HydrophobicContact CG1-CD2 3.62Å; V31-Y95 HydrophobicContact CG1-CE1 3.59Å; V31-Y95 HydrophobicContact CG1-CE2 3.9Å; V31-Y95 HydrophobicContact CG1-CG 3.31Å; V31-Y95 HydrophobicContact CG2-CD1 3.89Å; V31-Y95 HydrophobicContact CG2-CE1 3.73Å |
| 32 | E | 90.8 | Very high | 91.9 | Very high | 66 Ų | 66 | 54.3 Ų | 54.3 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | trans | -133.4 | 140.5 | 178.2 | -166.1 | 178.9 | 137.2 | 0 | 0 | 110.2 | C39 A127 K128 | E32-C39 HydrophobicContact CB-CB 4.35Å; E32-C39 HydrophobicContact CG-CB 4.39Å; E32-A127 PolarHBondContact OE2-N 3.33Å; E32-K128 HydrophobicContact CG-CB 4.34Å; E32-K128 HydrophobicContact CG-CD 3.77Å; E32-K128 HydrophobicContact CG-CG 4.25Å; E32-K128 VanDerWaalsContact OE1-CD 3.27Å; E32-K128 WeakPolarHBondContact OE1-CD 3.41Å; E32-K128 WeakPolarHBondContact OE1-CE 3.27Å; E32-K128 VanDerWaalsContact OE1-CG 3.28Å; E32-K128 WeakPolarHBondContact OE1-CG 3.49Å; E32-K128 IonicContact OE1-NZ 3.68Å; E32-K128 PolarHBondContact OE2-N 3.13Å; E32-K128 VanDerWaalsContact OE2-N 3.13Å | ||
| 33 | K | 91.6 | Very high | 91.7 | Very high | 30 Ų | 30 | 59.8 Ų | 59.8 | 13% | 0.13 | 32% | 0.318 | C | S | . | . | trans | -121.7 | 141 | 170 | -77.4 | -178.7 | 162.6 | -150 | 0 | 110.2 | E35 C36 L84 N92 A94 K128 | K33-E35 VanDerWaalsContact C-N 3.27Å; K33-E35 HydrophobicContact CB-CG 4.3Å; K33-E35 WeakPolarHBondContact CD-OE1 3.29Å; K33-E35 IonicContact NZ-OE1 3.11Å; K33-E35 PolarHBondContact O-N 2.84Å; K33-C36 HydrophobicContact CB-CB 4.39Å; K33-C36 PolarHBondContact O-N 2.92Å; K33-L84 HydrophobicContact CB-CD2 3.96Å; K33-L84 HydrophobicContact CD-CD1 4.19Å; K33-L84 HydrophobicContact CD-CD2 4.31Å; K33-L84 HydrophobicContact CG-CD2 3.97Å; K33-N92 PolarHBondContact NZ-O 2.8Å; K33-A94 VanDerWaalsContact CE-O 3.28Å; K33-A94 WeakPolarHBondContact CE-O 3.49Å; K33-A94 PolarHBondContact NZ-O 3.28Å; K33-K128 PolarHBondContact O-NZ 3.26Å | ||
| 34 | P | 91.6 | Very high | 91.5 | Very high | 119 Ų | 119 | 55.7 Ų | 55.7 | 77% | 0.773 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -41.4 | 178.3 | -27.5 | 34.8 | 0 | 0 | 0 | 113.7 | C36 K128 | P34-C36 VanDerWaalsContact C-N 3.29Å; P34-C36 PolarHBondContact O-N 3.02Å; P34-K128 PolarHBondContact O-NZ 2.91Å |
| 35 | E | 92.3 | Very high | 91.4 | Very high | 73 Ų | 73 | 54.6 Ų | 54.6 | 34% | 0.341 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -2.8 | -176.1 | 61.8 | -91.8 | -156.3 | 0 | 0 | 115.7 | K33 C87 A88 | K33-E35 VanDerWaalsContact C-N 3.27Å; K33-E35 HydrophobicContact CB-CG 4.3Å; K33-E35 WeakPolarHBondContact CD-OE1 3.29Å; K33-E35 IonicContact NZ-OE1 3.11Å; K33-E35 PolarHBondContact O-N 2.84Å; E35-C87 WeakPolarHBondContact O-CA 3.26Å; E35-A88 PolarHBondContact O-N 2.71Å |
| 36 | C | 91.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -119.2 | 143 | -177.4 | -52.3 | 0 | 0 | 0 | 0 | 112.2 | K33 P34 Y38 L84 G86 C87 K128 | K33-C36 HydrophobicContact CB-CB 4.39Å; K33-C36 PolarHBondContact O-N 2.92Å; P34-C36 VanDerWaalsContact C-N 3.29Å; P34-C36 PolarHBondContact O-N 3.02Å; C36-Y38 VanDerWaalsContact C-N 3.32Å; C36-Y38 PolarHBondContact O-N 2.97Å; C36-L84 HydrophobicContact CB-CB 4.16Å; C36-L84 HydrophobicContact CB-CD2 4.35Å; C36-G86 CarbonylContact C-O 3.58Å; C36-G86 WeakPolarHBondContact CA-O 3.48Å; C36-C87 HydrophobicContact CB-CB 4.04Å; C36-C87 WeakPolarHBondContact CB-SG 3.3Å; C36-C87 WeakPolarHBondContact SG-CB 2.99Å; C36-C87 CovalentContact SG-SG 2.04Å; C36-C87 PolarHBondContact SG-SG 2.84Å; C36-K128 WeakPolarHBondContact O-CD 2.97Å; C36-K128 WeakPolarHBondContact O-CE 3.26Å; C36-K128 PolarHBondContact O-NZ 3.3Å |
| 37 | D | 92.3 | Very high | 91.5 | Very high | 111 Ų | 111 | 47.1 Ų | 47.1 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -77.4 | -13.6 | -173.7 | -65.5 | -31.5 | 0 | 0 | 0 | 115.1 | G86 | D37-G86 PolarHBondContact N-O 3.24Š|
| 38 | Y | 90.7 | Very high | 91.6 | Very high | 72 Ų | 72 | 50.7 Ų | 50.7 | 28% | 0.282 | 27% | 0.267 | S | S | . | . | trans | -125.5 | 150.6 | -173.2 | -64 | -81.9 | 0 | 0 | 0 | 112.3 | C36 P85 P129 R131 | C36-Y38 VanDerWaalsContact C-N 3.32Å; C36-Y38 PolarHBondContact O-N 2.97Å; Y38-P85 HydrophobicContact CD2-CB 4.25Å; Y38-P85 HydrophobicContact CD2-CG 4.03Å; Y38-P85 HydrophobicContact CG-CG 4.17Å; Y38-P129 HydrophobicContact CD1-CB 4.29Å; Y38-P129 HydrophobicContact CD1-CG 3.82Å; Y38-P129 HydrophobicContact CE1-CG 4.02Å; Y38-R131 HydrophobicContact CD1-CG 4Å | ||
| 39 | C | 91.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 145.3 | 164.2 | 155.6 | 0 | 0 | 0 | 0 | 110.2 | V31 E32 C126 K128 P129 V130 R131 | V31-C39 CarbonylContact O-C 3.56Å; V31-C39 WeakPolarHBondContact O-CA 2.96Å; E32-C39 HydrophobicContact CB-CB 4.35Å; E32-C39 HydrophobicContact CG-CB 4.39Å; C39-C126 HydrophobicContact CB-CB 3.29Å; C39-C126 WeakPolarHBondContact CB-SG 3.38Å; C39-C126 WeakPolarHBondContact SG-CB 3.19Å; C39-C126 CovalentContact SG-SG 2Å; C39-C126 PolarHBondContact SG-SG 3.06Å; C39-K128 HydrophobicContact CB-CB 4.27Å; C39-P129 PolarHBondContact N-O 2.99Å; C39-V130 HydrophobicContact CB-CG2 4.48Å; C39-V130 CarbonylContact O-C 3.59Å; C39-V130 WeakPolarHBondContact O-CA 3.44Å; C39-R131 PolarHBondContact O-N 3.37Å |
| 40 | V | 90.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.4 | 178.9 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | V31 V42 V82 L84 R131 V133 | V31-V40 PolarHBondContact N-O 2.8Å; V31-V40 PolarHBondContact O-N 2.98Å; V40-V42 HydrophobicContact CG1-CG2 3.64Å; V40-V82 HydrophobicContact CG1-CG2 4.11Å; V40-L84 HydrophobicContact CG2-CG 4.23Å; V40-R131 WeakPolarHBondContact CA-O 3.27Å; V40-V133 HydrophobicContact CB-CG2 4.36Å; V40-V133 HydrophobicContact CG1-CB 3.95Å; V40-V133 HydrophobicContact CG1-CG2 3.33Å; V40-V133 HydrophobicContact CG2-CG2 4.07Å |
| 41 | A | 90.9 | Very high | 91.9 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | T28 L29 F30 V130 R131 R132 | T28-A41 HydrophobicContact CG2-CB 3.87Å; L29-A41 WeakPolarHBondContact O-CA 3.27Å; F30-A41 HydrophobicContact CD1-CB 3.98Å; F30-A41 HydrophobicContact CE1-CB 3.79Å; A41-V130 HydrophobicContact CB-CG1 3.93Å; A41-R131 PolarHBondContact N-O 3.03Å; A41-R132 HydrophobicContact CB-CG 4.4Å |
| 42 | V | 89.6 | Confident | 91.9 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 9% | 0.085 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.4 | -176.6 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | T28 L29 V31 V40 T44 V82 Y97 | T28-V42 CarbonylContact C-O 3.59Å; T28-V42 WeakPolarHBondContact CA-O 3.23Å; L29-V42 PolarHBondContact N-O 2Å; L29-V42 PolarHBondContact O-N 2.85Å; V31-V42 HydrophobicContact CG2-CG2 4.46Å; V40-V42 HydrophobicContact CG1-CG2 3.64Å; V42-T44 PolarHBondContact O-N 2.96Å; V42-V82 HydrophobicContact CG2-CB 4.4Å; V42-V82 HydrophobicContact CG2-CG1 4.2Å; V42-V82 HydrophobicContact CG2-CG2 4.24Å; V42-Y97 HydrophobicContact CG1-CE1 3.94Å; V42-Y97 HydrophobicContact CG1-CE2 3.86Å; V42-Y97 VanDerWaalsContact CG1-CZ 3.45Å; V42-Y97 VanDerWaalsContact CG1-OH 3.32Å; V42-Y97 WeakPolarHBondContact CG1-OH 3.02Å |
| 43 | N | 91.4 | Very high | 91.8 | Very high | 132 Ų | 132 | 54.7 Ų | 54.7 | 71% | 0.706 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 124.5 | 170.8 | -66.9 | -1.7 | 0 | 0 | 0 | 109.3 | ||
| 44 | T | 91.5 | Very high | 91.6 | Very high | 11 Ų | 11 | 61.2 Ų | 61.2 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 175.1 | 177.3 | -167.8 | 0 | 0 | 0 | 0 | 109.9 | E26 S27 L29 V42 I46 P98 | E26-T44 WeakPolarHBondContact CA-O 3.37Å; S27-T44 PolarHBondContact N-O 3.31Å; S27-T44 PolarHBondContact O-N 3.02Å; L29-T44 HydrophobicContact CB-CG2 3.88Å; V42-T44 PolarHBondContact O-N 2.96Å; T44-I46 HydrophobicContact CG2-CG2 4.15Å; T44-P98 PolarHBondContact OG1-O 2.04Å; T44-P98 VanDerWaalsContact OG1-O 3.06Å |
| 45 | T | 94.8 | Very high | 91.3 | Very high | 31 Ų | 31 | 60 Ų | 60 | 19% | 0.19 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.8 | 170.5 | 51.3 | 0 | 0 | 0 | 0 | 109.5 | T25 E26 V99 A100 | T25-T45 CarbonylContact O-C 3.56Å; T25-T45 VanDerWaalsContact O-CA 3.32Å; T25-T45 WeakPolarHBondContact O-CA 3.49Å; E26-T45 HydrophobicContact CG-CG2 4.28Å; T45-V99 WeakPolarHBondContact OG1-CG1 3.46Å; T45-A100 VanDerWaalsContact O-CB 3.3Å; T45-A100 WeakPolarHBondContact O-CB 3.04Å; T45-A100 PolarHBondContact O-N 3.13Å; T45-A100 PolarHBondContact OG1-N 3.4Å; T45-A100 VanDerWaalsContact OG1-N 3.14Å; T45-A100 PolarHBondContact OG1-O 3.41Å |
| 46 | I | 94.1 | Very high | 90.7 | Very high | 53 Ų | 53 | 57.6 Ų | 57.6 | 27% | 0.272 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 162.7 | 176.7 | 63.9 | 172 | 0 | 0 | 0 | 110.1 | P24 T25 T44 | P24-I46 CarbonylContact C-O 3.52Å; P24-I46 WeakPolarHBondContact CA-O 3.32Å; T25-I46 PolarHBondContact N-O 3.48Å; T25-I46 PolarHBondContact O-N 3.07Å; T44-I46 HydrophobicContact CG2-CG2 4.15Å |
| 47 | C | 93.9 | Very high | 90.1 | Very high | 21 Ų | 21 | 65.8 Ų | 65.8 | 14% | 0.142 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 119.7 | 173.7 | -66.9 | 0 | 0 | 0 | 0 | 111.2 | Y74 C103 | C47-Y74 VanDerWaalsContact SG-CD1 3.57Å; C47-C103 WeakPolarHBondContact CA-SG 3.49Å; C47-C103 HydrophobicContact CB-CB 3.73Å; C47-C103 WeakPolarHBondContact CB-SG 3.49Å; C47-C103 VanDerWaalsContact SG-CA 3.58Å; C47-C103 WeakPolarHBondContact SG-CB 3.37Å; C47-C103 CovalentContact SG-SG 2.03Å; C47-C103 PolarHBondContact SG-SG 3.12Å |
| 48 | M | 92.8 | Very high | 89.1 | Confident | 121 Ų | 121 | 65 Ų | 65 | 60% | 0.596 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 150.9 | 178.4 | -167.7 | 174.5 | -179.3 | 0 | 0 | 110.2 | L23 | L23-M48 PolarHBondContact N-O 3.05Å; L23-M48 PolarHBondContact O-N 3.29Å; L23-M48 VanDerWaalsContact O-N 3.13Å; L23-M48 VanDerWaalsContact O-O 3.05Å |
| 49 | G | 92.1 | Very high | 88 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 29% | 0.289 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 135.6 | -171.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P20 | P20-G49 WeakPolarHBondContact O-CA 3.02Š|
| 50 | V | 91.6 | Very high | 86.8 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 42% | 0.418 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -106.3 | 150.5 | -178.7 | -65 | 0 | 0 | 0 | 0 | 112.6 | V19 P20 C22 | V19-V50 HydrophobicContact CB-CG2 4.23Å; V19-V50 HydrophobicContact CG1-CB 4.22Å; V19-V50 HydrophobicContact CG1-CG1 3.47Å; V19-V50 VanDerWaalsContact CG1-CG1 3.47Å; V19-V50 HydrophobicContact CG1-CG2 3.69Å; P20-V50 PolarHBondContact O-N 3.11Å; P20-V50 VanDerWaalsContact O-N 3.12Å; C22-V50 PolarHBondContact N-O 2.86Å |
| 51 | C | 92.8 | Very high | 85.6 | Confident | 24 Ų | 24 | 78.6 Ų | 78.6 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | trans | -126.4 | 142.8 | 175.3 | -70.6 | 0 | 0 | 0 | 0 | 110 | T53 R70 S71 C72 C105 | C51-T53 PolarHBondContact O-N 2.98Å; C51-R70 HydrophobicContact CB-CB 4.34Å; C51-S71 VanDerWaalsContact SG-C 3.58Å; C51-C72 PolarHBondContact SG-N 2.82Å; C51-C105 WeakPolarHBondContact CA-SG 3.08Å; C51-C105 HydrophobicContact CB-CB 3.72Å; C51-C105 WeakPolarHBondContact CB-SG 3.46Å; C51-C105 WeakPolarHBondContact SG-CA 3.34Å; C51-C105 WeakPolarHBondContact SG-CB 3.47Å; C51-C105 CovalentContact SG-SG 2.04Å; C51-C105 PolarHBondContact SG-SG 3.31Å | ||
| 52 | F | 90.6 | Very high | 84.2 | Confident | 153 Ų | 153 | 83 Ų | 83 | 67% | 0.671 | 45% | 0.446 | S | S | * | . | trans | -65.5 | 129 | 173.9 | 178.1 | -96.8 | 0 | 0 | 0 | 110.2 | R54 F68 | F52-R54 HydrophobicContact CE1-CB 4.15Å; F52-R54 HydrophobicContact CZ-CB 4.32Å; F52-F68 HydrophobicContact CD1-CD1 4.42Å; F52-F68 HydrophobicContact CD1-CE1 4.19Å | ||
| 53 | T | 90.1 | Very high | 82.9 | Confident | 79 Ų | 79 | 85.4 Ų | 85.4 | 49% | 0.485 | 46% | 0.456 | S | S | . | . | trans | -127.8 | 154.7 | 173.8 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | C51 F68 R70 | C51-T53 PolarHBondContact O-N 2.98Å; T53-F68 CarbonylContact C-O 3.55Å; T53-F68 VanDerWaalsContact CA-O 3.28Å; T53-F68 WeakPolarHBondContact CA-O 3.46Å; T53-F68 WeakPolarHBondContact CB-O 3.46Å; T53-R70 WeakPolarHBondContact CG2-O 3.4Å | ||
| 54 | R | 87.3 | Confident | 81.7 | Confident | 167 Ų | 167 | 84.1 Ų | 84.1 | 63% | 0.63 | 46% | 0.458 | S | S | * | . | B | Isolated β-bridge | trans | -138.5 | 132.9 | 177.2 | 176.8 | -179.4 | 173.9 | 174.1 | -1 | 109.2 | F52 F68 | F52-R54 HydrophobicContact CE1-CB 4.15Å; F52-R54 HydrophobicContact CZ-CB 4.32Å; R54-F68 HydrophobicContact CB-CB 4.2Å; R54-F68 PolarHBondContact N-O 3.04Å; R54-F68 PolarHBondContact O-N 3.21Å |
| 55 | D | 83.8 | Confident | 80.6 | Confident | 92 Ų | 92 | 93 Ų | 93 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | trans | -108.7 | 158.5 | 172.5 | -156.7 | -4.8 | 0 | 0 | 0 | 110.6 | H63 V67 | D55-H63 IonicContact OD1-CE1 3.48Å; D55-H63 PolarHBondContact OD1-CE1 2.9Å; D55-H63 IonicContact OD1-ND1 3.42Å; D55-H63 IonicContact OD1-NE2 3.98Å; D55-V67 WeakPolarHBondContact OD1-CG2 2.99Å | ||
| 56 | S | 80.9 | Confident | 79.4 | Confident | 23 Ų | 23 | 97 Ų | 97 | 16% | 0.161 | 51% | 0.505 | C | S | . | . | trans | -103 | 127 | 178.4 | -171.5 | 0 | 0 | 0 | 0 | 111 | I58 | S56-I58 PolarHBondContact O-N 3.27Å; S56-I58 VanDerWaalsContact OG-CG2 3.32Å; S56-I58 WeakPolarHBondContact OG-CG2 3.19Å; S56-I58 PolarHBondContact OG-N 3.14Å | ||
| 57 | N | 78.3 | Confident | 78.7 | Confident | 173 Ų | 173 | 96.3 Ų | 96.3 | 93% | 0.925 | 50% | 0.503 | S | S | * | . | trans | -79.9 | 2.2 | 173.2 | -61.1 | -30.2 | 0 | 0 | 0 | 112.9 | ||||
| 58 | I | 72.9 | Confident | 78.3 | Confident | 94 Ų | 94 | 99 Ų | 99 | 48% | 0.482 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -83.3 | 142.4 | 179.6 | -143.4 | 129.1 | 0 | 0 | 0 | 110.2 | S56 F62 F66 | S56-I58 PolarHBondContact O-N 3.27Å; S56-I58 VanDerWaalsContact OG-CG2 3.32Å; S56-I58 WeakPolarHBondContact OG-CG2 3.19Å; S56-I58 PolarHBondContact OG-N 3.14Å; I58-F62 HydrophobicContact CG2-CB 4.02Å; I58-F66 HydrophobicContact CG2-CD2 4.15Å |
| 59 | G | 66.4 | Low | 78 | Confident | 56 Ų | 56 | 100 Ų | 100 | 58% | 0.577 | 52% | 0.516 | S | S | * | . | trans | -55.9 | 160.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | I61 F62 | G59-I61 PolarHBondContact O-N 3.48Å; G59-F62 PolarHBondContact O-N 3.42Å | ||
| 60 | D | 66.3 | Low | 78 | Confident | 148 Ų | 148 | 104 Ų | 104 | 79% | 0.791 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -44.3 | -32.6 | -162.6 | -136.1 | -4.7 | 0 | 0 | 0 | 116.2 | F62 H63 | D60-F62 PolarHBondContact O-N 2.85Å; D60-F62 VanDerWaalsContact O-N 3.15Å; D60-H63 PolarHBondContact O-N 2.76Å |
| 61 | I | 65.4 | Low | 78 | Confident | 154 Ų | 154 | 102.9 Ų | 102.9 | 79% | 0.79 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -61.6 | -28.1 | -173.9 | -59.2 | 173.1 | 0 | 0 | 0 | 113.2 | G59 | G59-I61 PolarHBondContact O-N 3.48Š|
| 62 | F | 62 | Low | 78.1 | Confident | 100 Ų | 100 | 103.2 Ų | 103.2 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -119.1 | 8.3 | 179.5 | -61.5 | -75.4 | 0 | 0 | 0 | 114.2 | I58 G59 D60 S64 R65 F66 | I58-F62 HydrophobicContact CG2-CB 4.02Å; G59-F62 PolarHBondContact O-N 3.42Å; D60-F62 PolarHBondContact O-N 2.85Å; D60-F62 VanDerWaalsContact O-N 3.15Å; F62-S64 PolarHBondContact O-N 3.06Å; F62-R65 PolarHBondContact O-N 3.47Å; F62-F66 HydrophobicContact CB-CD2 3.95Å; F62-F66 HydrophobicContact CB-CE2 3.76Å; F62-F66 HydrophobicContact CG-CE2 4.46Å; F62-F66 VanDerWaalsContact O-CD2 3.26Å; F62-F66 WeakPolarHBondContact O-CD2 3.4Å |
| 63 | H | 62.5 | Low | 78.2 | Confident | 65 Ų | 65 | 96.3 Ų | 96.3 | 30% | 0.301 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.5 | -50.9 | -169.9 | -172.2 | 71 | 0 | 0 | 0 | 112.3 | D55 D60 R65 F66 V67 | D55-H63 IonicContact OD1-CE1 3.48Å; D55-H63 PolarHBondContact OD1-CE1 2.9Å; D55-H63 IonicContact OD1-ND1 3.42Å; D55-H63 IonicContact OD1-NE2 3.98Å; D60-H63 PolarHBondContact O-N 2.76Å; H63-R65 PolarHBondContact O-N 2.03Å; H63-R65 VanDerWaalsContact O-N 3.09Å; H63-F66 PolarHBondContact O-N 2.79Å; H63-F66 VanDerWaalsContact O-N 3.12Å; H63-V67 WeakPolarHBondContact O-CG2 3.04Å; H63-V67 PolarHBondContact O-N 3.03Å |
| 64 | S | 65.9 | Low | 78.4 | Confident | 104 Ų | 104 | 95.9 Ų | 95.9 | 73% | 0.727 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.1 | -22.4 | -177.8 | 66 | 0 | 0 | 0 | 0 | 115.5 | F62 | F62-S64 PolarHBondContact O-N 3.06Å |
| 65 | R | 68.8 | Low | 78.7 | Confident | 198 Ų | 198 | 91.9 Ų | 91.9 | 75% | 0.747 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -81.4 | -19.4 | 179.9 | -67.2 | -170.9 | -176.1 | -176.9 | 1.9 | 113.5 | F62 H63 | F62-R65 PolarHBondContact O-N 3.47Å; H63-R65 PolarHBondContact O-N 2.03Å; H63-R65 VanDerWaalsContact O-N 3.09Å |
| 66 | F | 68.4 | Low | 79.3 | Confident | 114 Ų | 114 | 93.8 Ų | 93.8 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -116.3 | -2.8 | -174.2 | -63.9 | -66.6 | 0 | 0 | 0 | 113 | I58 F62 H63 | I58-F66 HydrophobicContact CG2-CD2 4.15Å; F62-F66 HydrophobicContact CB-CD2 3.95Å; F62-F66 HydrophobicContact CB-CE2 3.76Å; F62-F66 HydrophobicContact CG-CE2 4.46Å; F62-F66 VanDerWaalsContact O-CD2 3.26Å; F62-F66 WeakPolarHBondContact O-CD2 3.4Å; H63-F66 PolarHBondContact O-N 2.79Å; H63-F66 VanDerWaalsContact O-N 3.12Å |
| 67 | V | 79.6 | Confident | 79.9 | Confident | 40 Ų | 40 | 95.5 Ų | 95.5 | 24% | 0.242 | 48% | 0.484 | C | S | . | . | trans | -79.1 | 131.7 | 172.9 | 171.9 | 0 | 0 | 0 | 0 | 110 | D55 H63 Q69 | D55-V67 WeakPolarHBondContact OD1-CG2 2.99Å; H63-V67 WeakPolarHBondContact O-CG2 3.04Å; H63-V67 PolarHBondContact O-N 3.03Å; V67-Q69 HydrophobicContact CG1-CB 4.5Å; V67-Q69 HydrophobicContact CG1-CG 3.69Å | ||
| 68 | F | 84.7 | Confident | 80.7 | Confident | 77 Ų | 77 | 90 Ų | 90 | 34% | 0.338 | 45% | 0.453 | S | S | . | . | B | Isolated β-bridge | trans | -129.7 | 90.9 | 176.6 | -175 | -98.1 | 0 | 0 | 0 | 108.9 | F52 T53 R54 R70 | F52-F68 HydrophobicContact CD1-CD1 4.42Å; F52-F68 HydrophobicContact CD1-CE1 4.19Å; T53-F68 CarbonylContact C-O 3.55Å; T53-F68 VanDerWaalsContact CA-O 3.28Å; T53-F68 WeakPolarHBondContact CA-O 3.46Å; T53-F68 WeakPolarHBondContact CB-O 3.46Å; R54-F68 HydrophobicContact CB-CB 4.2Å; R54-F68 PolarHBondContact N-O 3.04Å; R54-F68 PolarHBondContact O-N 3.21Å; F68-R70 HydrophobicContact CD1-CG 4.37Å; F68-R70 HydrophobicContact CE1-CG 4.03Å; F68-R70 HydrophobicContact CZ-CG 4.36Å |
| 69 | Q | 88.3 | Confident | 81.6 | Confident | 142 Ų | 142 | 90.7 Ų | 90.7 | 66% | 0.664 | 45% | 0.451 | S | S | * | . | trans | -104.7 | 127.6 | 176.9 | -70.3 | -179.1 | -0.8 | 0 | 0 | 109.4 | V67 | V67-Q69 HydrophobicContact CG1-CB 4.5Å; V67-Q69 HydrophobicContact CG1-CG 3.69Å | ||
| 70 | R | 91.4 | Very high | 82.9 | Confident | 112 Ų | 112 | 92.3 Ų | 92.3 | 42% | 0.423 | 44% | 0.439 | S | S | . | . | trans | -133.6 | 138.8 | 176.9 | -69.4 | -174.9 | 172.3 | 179.3 | -0.3 | 108.7 | C51 T53 F68 G106 | C51-R70 HydrophobicContact CB-CB 4.34Å; T53-R70 WeakPolarHBondContact CG2-O 3.4Å; F68-R70 HydrophobicContact CD1-CG 4.37Å; F68-R70 HydrophobicContact CE1-CG 4.03Å; F68-R70 HydrophobicContact CZ-CG 4.36Å; R70-G106 CarbonylContact C-O 3.59Å; R70-G106 VanDerWaalsContact CA-O 3.26Å; R70-G106 WeakPolarHBondContact CA-O 3.32Å | ||
| 71 | S | 92.4 | Very high | 84.1 | Confident | 45 Ų | 45 | 88.4 Ų | 88.4 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 159.9 | 171.1 | 59.5 | 0 | 0 | 0 | 0 | 110.1 | C51 T73 C105 G106 | C51-S71 VanDerWaalsContact SG-C 3.58Å; S71-T73 PolarHBondContact O-N 2.71Å; S71-C105 WeakPolarHBondContact O-CA 3.19Å; S71-G106 PolarHBondContact N-O 3.12Å; S71-G106 PolarHBondContact O-N 3.39Å |
| 72 | C | 94 | Very high | 85.2 | Confident | 31 Ų | 31 | 81.4 Ų | 81.4 | 21% | 0.209 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 115.9 | 167.1 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | C22 C51 | C22-C72 WeakPolarHBondContact CA-SG 3.27Å; C22-C72 HydrophobicContact CB-CB 3.7Å; C22-C72 WeakPolarHBondContact CB-SG 3.37Å; C22-C72 WeakPolarHBondContact SG-CA 3.42Å; C22-C72 WeakPolarHBondContact SG-CB 3.17Å; C22-C72 CovalentContact SG-SG 2.03Å; C22-C72 PolarHBondContact SG-SG 2.97Å; C51-C72 PolarHBondContact SG-N 2.82Å |
| 73 | T | 93.7 | Very high | 86.6 | Confident | 9 Ų | 9 | 80.9 Ų | 80.9 | 6% | 0.055 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 166.1 | -178 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | S71 C103 H104 D113 | S71-T73 PolarHBondContact O-N 2.71Å; T73-C103 WeakPolarHBondContact O-CA 3.26Å; T73-H104 VanDerWaalsContact CG2-CE1 3.49Å; T73-H104 WeakPolarHBondContact CG2-CE1 3.48Å; T73-H104 PolarHBondContact N-O 3.18Å; T73-H104 PolarHBondContact O-N 2.88Å; T73-H104 PolarHBondContact O-ND1 3.25Å; T73-D113 PolarHBondContact OG1-OD2 3.48Å |
| 74 | Y | 93.9 | Very high | 87.9 | Confident | 69 Ų | 69 | 78 Ų | 78 | 27% | 0.271 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 131.9 | 179 | -62.8 | -85.6 | 0 | 0 | 0 | 111 | C47 V77 A100 H104 | C47-Y74 VanDerWaalsContact SG-CD1 3.57Å; Y74-V77 HydrophobicContact CD1-CG1 3.48Å; Y74-V77 VanDerWaalsContact CD1-CG1 3.48Å; Y74-V77 HydrophobicContact CE1-CG1 4.33Å; Y74-V77 HydrophobicContact CG-CG1 3.74Å; Y74-A100 HydrophobicContact CD1-CB 3.89Å; Y74-A100 HydrophobicContact CE1-CB 3.75Å; Y74-H104 PolarHBondContact O-CE1 3.07Å; Y74-H104 VanDerWaalsContact O-CE1 3.3Å; Y74-H104 PolarHBondContact O-ND1 2.87Å |
| 75 | D | 93.9 | Very high | 89 | Confident | 83 Ų | 83 | 74.9 Ų | 74.9 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -58.8 | 169 | 172.3 | 43.7 | 0 | 0 | 0 | 109.8 | S102 H104 | D75-S102 WeakPolarHBondContact CB-OG 3.48Å; D75-S102 PolarHBondContact N-O 3.19Å; D75-S102 PolarHBondContact OD2-OG 3.36Å; D75-H104 HydrophobicContact CB-CB 4.23Å; D75-H104 WeakPolarHBondContact CB-ND1 3.28Å |
| 76 | K | 94.8 | Very high | 90 | Very high | 132 Ų | 132 | 67.2 Ų | 67.2 | 57% | 0.574 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133 | 174.7 | -62 | 174.8 | -173.6 | 175.2 | 0 | 110.5 | I101 S102 | K76-I101 HydrophobicContact CB-CB 4.14Å; K76-I101 PolarHBondContact O-N 3.06Å; K76-S102 VanDerWaalsContact CB-OG 3.29Å; K76-S102 WeakPolarHBondContact CB-OG 3.04Å; K76-S102 WeakPolarHBondContact CG-OG 3.37Å; K76-S102 PolarHBondContact N-O 3.09Å; K76-S102 PolarHBondContact N-OG 3.2Å; K76-S102 PolarHBondContact O-N 2.96Å |
| 77 | V | 93.6 | Very high | 91.2 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 36% | 0.358 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140.6 | 179.1 | -64.1 | 0 | 0 | 0 | 0 | 110.4 | Y74 Y79 V99 | Y74-V77 HydrophobicContact CD1-CG1 3.48Å; Y74-V77 VanDerWaalsContact CD1-CG1 3.48Å; Y74-V77 HydrophobicContact CE1-CG1 4.33Å; Y74-V77 HydrophobicContact CG-CG1 3.74Å; V77-Y79 HydrophobicContact CG2-CD2 4.44Å; V77-Y79 HydrophobicContact CG2-CE2 3.74Å; V77-V99 WeakPolarHBondContact CA-O 3.45Å |
| 78 | E | 95 | Very high | 91.8 | Very high | 59 Ų | 59 | 64.3 Ų | 64.3 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.5 | 166.2 | -176.6 | -168.8 | 136.9 | 0 | 0 | 107.2 | R80 P98 V99 I101 | E78-R80 IonicContact OE1-CZ 3.78Å; E78-R80 IonicContact OE1-NE 3.91Å; E78-R80 PolarHBondContact OE1-NE 3.3Å; E78-R80 IonicContact OE1-NH2 3.07Å; E78-R80 PolarHBondContact OE1-NH2 3.47Å; E78-R80 VanDerWaalsContact OE1-NH2 3.11Å; E78-R80 IonicContact OE2-NH2 2.82Å; E78-R80 PolarHBondContact OE2-NH2 3.47Å; E78-P98 CarbonylContact O-C 3.52Å; E78-V99 HydrophobicContact CB-CB 4.47Å; E78-V99 PolarHBondContact N-O 3.45Å; E78-V99 WeakPolarHBondContact O-CB 3Å; E78-V99 PolarHBondContact O-N 3.5Å; E78-I101 HydrophobicContact CB-CD1 3.84Å; E78-I101 HydrophobicContact CB-CG1 3.92Å |
| 79 | Y | 93.6 | Very high | 92.1 | Very high | 108 Ų | 108 | 69.3 Ų | 69.3 | 42% | 0.424 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.9 | 175.3 | -66 | -93.7 | 0 | 0 | 0 | 110.3 | V77 T96 Y97 P98 M143 | V77-Y79 HydrophobicContact CG2-CD2 4.44Å; V77-Y79 HydrophobicContact CG2-CE2 3.74Å; Y79-T96 HydrophobicContact CD1-CG2 4.09Å; Y79-T96 HydrophobicContact CG-CG2 4.29Å; Y79-Y97 WeakPolarHBondContact CA-O 3.39Å; Y79-P98 HydrophobicContact CD1-CB 4.21Å; Y79-P98 HydrophobicContact CE1-CB 3.98Å; Y79-M143 VanDerWaalsContact CB-CE 3.49Å; Y79-M143 HydrophobicContact CD2-CE 4.28Å; Y79-M143 HydrophobicContact CG-CE 4.39Å; Y79-M143 WeakPolarHBondContact O-CE 3.29Å |
| 80 | R | 92.1 | Very high | 92.2 | Very high | 90 Ų | 90 | 66.7 Ų | 66.7 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 157.4 | 175.9 | -67.4 | -170 | -176.2 | 164.8 | 4.9 | 110.1 | E78 T96 Y97 V99 | E78-R80 IonicContact OE1-CZ 3.78Å; E78-R80 IonicContact OE1-NE 3.91Å; E78-R80 PolarHBondContact OE1-NE 3.3Å; E78-R80 IonicContact OE1-NH2 3.07Å; E78-R80 PolarHBondContact OE1-NH2 3.47Å; E78-R80 VanDerWaalsContact OE1-NH2 3.11Å; E78-R80 IonicContact OE2-NH2 2.82Å; E78-R80 PolarHBondContact OE2-NH2 3.47Å; R80-T96 CarbonylContact O-C 3.56Å; R80-T96 VanDerWaalsContact O-CA 3.27Å; R80-T96 WeakPolarHBondContact O-CA 3.39Å; R80-Y97 HydrophobicContact CB-CD1 4.47Å; R80-Y97 HydrophobicContact CB-CE1 3.79Å; R80-Y97 HydrophobicContact CB-CE2 4.12Å; R80-Y97 PolarHBondContact N-O 3.32Å; R80-Y97 VanDerWaalsContact O-CD1 3.23Å; R80-Y97 WeakPolarHBondContact O-CD1 3.29Å; R80-Y97 PolarHBondContact O-N 2.97Å; R80-V99 HydrophobicContact CB-CG2 4.27Å; R80-V99 HydrophobicContact CG-CG2 3.87Å |
| 81 | T | 91.8 | Very high | 92.2 | Very high | 65 Ų | 65 | 63 Ų | 63 | 40% | 0.399 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.8 | -178.2 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | A94 Y95 T96 | T81-A94 HydrophobicContact CG2-CB 3.78Å; T81-Y95 CarbonylContact C-O 3.57Å; T81-Y95 VanDerWaalsContact CA-O 3.26Å; T81-Y95 WeakPolarHBondContact CA-O 3.49Å; T81-T96 PolarHBondContact OG1-OG1 3.06Å; T81-T96 VanDerWaalsContact OG1-OG1 3.13Å |
| 82 | V | 89.1 | Confident | 92.1 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 149.2 | 172.1 | 68.3 | 0 | 0 | 0 | 0 | 109.8 | V40 V42 L84 A94 Y95 Y97 V133 | V40-V82 HydrophobicContact CG1-CG2 4.11Å; V42-V82 HydrophobicContact CG2-CB 4.4Å; V42-V82 HydrophobicContact CG2-CG1 4.2Å; V42-V82 HydrophobicContact CG2-CG2 4.24Å; V82-L84 HydrophobicContact CG1-CD1 4.38Å; V82-A94 WeakPolarHBondContact O-CA 3.46Å; V82-Y95 PolarHBondContact N-O 2.97Å; V82-Y95 PolarHBondContact O-N 3.15Å; V82-Y97 HydrophobicContact CB-CE1 4.25Å; V82-Y97 HydrophobicContact CG1-CD1 4.4Å; V82-Y97 HydrophobicContact CG1-CE1 4.42Å; V82-V133 HydrophobicContact CG2-CG1 4.39Å; V82-V133 HydrophobicContact CG2-CG2 4.22Å |
| 83 | I | 90.6 | Very high | 92 | Very high | 89 Ų | 89 | 66.3 Ų | 66.3 | 46% | 0.456 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 120.6 | 176.1 | -55.5 | -56.2 | 0 | 0 | 0 | 108.5 | P93 A94 | I83-P93 HydrophobicContact CG2-CB 3.88Å; I83-P93 HydrophobicContact CG2-CG 3.99Å; I83-A94 HydrophobicContact CD1-CB 3.89Å |
| 84 | L | 90.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 137.1 | 176.2 | -74.8 | 84.3 | 0 | 0 | 0 | 110.4 | V31 K33 C36 V40 V82 C87 P93 Y95 | V31-L84 HydrophobicContact CG1-CD1 4.11Å; V31-L84 HydrophobicContact CG1-CD2 4.3Å; K33-L84 HydrophobicContact CB-CD2 3.96Å; K33-L84 HydrophobicContact CD-CD1 4.19Å; K33-L84 HydrophobicContact CD-CD2 4.31Å; K33-L84 HydrophobicContact CG-CD2 3.97Å; C36-L84 HydrophobicContact CB-CB 4.16Å; C36-L84 HydrophobicContact CB-CD2 4.35Å; V40-L84 HydrophobicContact CG2-CG 4.23Å; V82-L84 HydrophobicContact CG1-CD1 4.38Å; L84-C87 PolarHBondContact O-SG 2.91Å; L84-P93 WeakPolarHBondContact CD1-O 3.32Å; L84-P93 PolarHBondContact N-O 3.47Å; L84-Y95 VanDerWaalsContact CD1-CB 3.45Å; L84-Y95 HydrophobicContact CD1-CG 4.45Å |
| 85 | P | 89.5 | Confident | 91.7 | Very high | 40 Ų | 40 | 67.8 Ų | 67.8 | 26% | 0.26 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -84.5 | 156.5 | 176.8 | 30.6 | -28.1 | 0 | 0 | 0 | 111.9 | Y38 | Y38-P85 HydrophobicContact CD2-CB 4.25Å; Y38-P85 HydrophobicContact CD2-CG 4.03Å; Y38-P85 HydrophobicContact CG-CG 4.17Å |
| 86 | G | 89.6 | Confident | 91.7 | Very high | 36 Ų | 36 | 67.6 Ų | 67.6 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 72.6 | 31 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | C36 D37 | C36-G86 CarbonylContact C-O 3.58Å; C36-G86 WeakPolarHBondContact CA-O 3.48Å; D37-G86 PolarHBondContact N-O 3.24Å |
| 87 | C | 92.3 | Very high | 91.5 | Very high | 34 Ų | 34 | 62.2 Ų | 62.2 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -84.7 | 147.4 | 177.5 | -48.3 | 0 | 0 | 0 | 0 | 112 | E35 C36 L84 S91 P93 | E35-C87 WeakPolarHBondContact O-CA 3.26Å; C36-C87 HydrophobicContact CB-CB 4.04Å; C36-C87 WeakPolarHBondContact CB-SG 3.3Å; C36-C87 WeakPolarHBondContact SG-CB 2.99Å; C36-C87 CovalentContact SG-SG 2.04Å; C36-C87 PolarHBondContact SG-SG 2.84Å; L84-C87 PolarHBondContact O-SG 2.91Å; C87-S91 WeakPolarHBondContact CB-OG 3.01Å; C87-P93 HydrophobicContact CB-CB 4.14Å; C87-P93 VanDerWaalsContact SG-CB 3.55Å |
| 88 | A | 93 | Very high | 91.5 | Very high | 60 Ų | 60 | 61.6 Ų | 61.6 | 50% | 0.496 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 150.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E35 G90 S91 | E35-A88 PolarHBondContact O-N 2.71Å; A88-G90 PolarHBondContact O-N 2.99Å; A88-S91 PolarHBondContact N-OG 2.03Å; A88-S91 WeakPolarHBondContact O-CB 3.3Å; A88-S91 PolarHBondContact O-N 3.41Å; A88-S91 PolarHBondContact O-OG 2.85Å |
| 89 | I | 91.1 | Very high | 91.5 | Very high | 182 Ų | 182 | 59.2 Ų | 59.2 | 93% | 0.933 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 128.1 | 178.2 | -59 | 173.3 | 0 | 0 | 0 | 109.4 | S91 | I89-S91 VanDerWaalsContact C-N 3.31Š|
| 90 | G | 89.3 | Confident | 91.7 | Very high | 87 Ų | 87 | 54.3 Ų | 54.3 | 90% | 0.897 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -1.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A88 | A88-G90 PolarHBondContact O-N 2.99Š|
| 91 | S | 91.9 | Very high | 91.9 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 25% | 0.245 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -84.2 | 157.9 | 170 | 73 | 0 | 0 | 0 | 0 | 111.8 | C87 A88 I89 P93 | C87-S91 WeakPolarHBondContact CB-OG 3.01Å; A88-S91 PolarHBondContact N-OG 2.03Å; A88-S91 WeakPolarHBondContact O-CB 3.3Å; A88-S91 PolarHBondContact O-N 3.41Å; A88-S91 PolarHBondContact O-OG 2.85Å; I89-S91 VanDerWaalsContact C-N 3.31Å; S91-P93 VanDerWaalsContact O-CD 3.26Å; S91-P93 WeakPolarHBondContact O-CD 3.46Å |
| 92 | N | 90.6 | Very high | 92.1 | Very high | 103 Ų | 103 | 52.4 Ų | 52.4 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | trans | -90.7 | 108.2 | 176.7 | -178.5 | 5.4 | 0 | 0 | 0 | 110.7 | K33 A94 | K33-N92 PolarHBondContact NZ-O 2.8Å; N92-A94 PolarHBondContact O-N 2.87Å; N92-A94 VanDerWaalsContact OD1-CB 3.25Å; N92-A94 WeakPolarHBondContact OD1-CB 3.4Å; N92-A94 PolarHBondContact OD1-N 2.83Å | ||
| 93 | P | 91.1 | Very high | 92.4 | Very high | 41 Ų | 41 | 53 Ų | 53 | 27% | 0.266 | 33% | 0.333 | S | S | . | . | trans | -76.6 | -8.7 | -179.2 | 34.6 | -38.4 | 0 | 0 | 0 | 113.3 | I83 L84 C87 S91 | I83-P93 HydrophobicContact CG2-CB 3.88Å; I83-P93 HydrophobicContact CG2-CG 3.99Å; L84-P93 WeakPolarHBondContact CD1-O 3.32Å; L84-P93 PolarHBondContact N-O 3.47Å; C87-P93 HydrophobicContact CB-CB 4.14Å; C87-P93 VanDerWaalsContact SG-CB 3.55Å; S91-P93 VanDerWaalsContact O-CD 3.26Å; S91-P93 WeakPolarHBondContact O-CD 3.46Å | ||
| 94 | A | 91.6 | Very high | 92.6 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 21% | 0.207 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 133.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K33 T81 V82 I83 N92 | K33-A94 VanDerWaalsContact CE-O 3.28Å; K33-A94 WeakPolarHBondContact CE-O 3.49Å; K33-A94 PolarHBondContact NZ-O 3.28Å; T81-A94 HydrophobicContact CG2-CB 3.78Å; V82-A94 WeakPolarHBondContact O-CA 3.46Å; I83-A94 HydrophobicContact CD1-CB 3.89Å; N92-A94 PolarHBondContact O-N 2.87Å; N92-A94 VanDerWaalsContact OD1-CB 3.25Å; N92-A94 WeakPolarHBondContact OD1-CB 3.4Å; N92-A94 PolarHBondContact OD1-N 2.83Å |
| 95 | Y | 91.6 | Very high | 92.8 | Very high | 84 Ų | 84 | 53.5 Ų | 53.5 | 33% | 0.329 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.4 | 172.4 | -176.4 | -88.7 | 0 | 0 | 0 | 110.6 | V31 T81 V82 L84 | V31-Y95 HydrophobicContact CB-CD1 4.25Å; V31-Y95 HydrophobicContact CB-CE1 4.33Å; V31-Y95 HydrophobicContact CG1-CD1 3.3Å; V31-Y95 HydrophobicContact CG1-CD2 3.62Å; V31-Y95 HydrophobicContact CG1-CE1 3.59Å; V31-Y95 HydrophobicContact CG1-CE2 3.9Å; V31-Y95 HydrophobicContact CG1-CG 3.31Å; V31-Y95 HydrophobicContact CG2-CD1 3.89Å; V31-Y95 HydrophobicContact CG2-CE1 3.73Å; T81-Y95 CarbonylContact C-O 3.57Å; T81-Y95 VanDerWaalsContact CA-O 3.26Å; T81-Y95 WeakPolarHBondContact CA-O 3.49Å; V82-Y95 PolarHBondContact N-O 2.97Å; V82-Y95 PolarHBondContact O-N 3.15Å; L84-Y95 VanDerWaalsContact CD1-CB 3.45Å; L84-Y95 HydrophobicContact CD1-CG 4.45Å |
| 96 | T | 93.4 | Very high | 93 | Very high | 79 Ų | 79 | 52 Ų | 52 | 49% | 0.485 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.9 | -177.9 | -54.8 | 0 | 0 | 0 | 0 | 110.3 | Y79 R80 T81 | Y79-T96 HydrophobicContact CD1-CG2 4.09Å; Y79-T96 HydrophobicContact CG-CG2 4.29Å; R80-T96 CarbonylContact O-C 3.56Å; R80-T96 VanDerWaalsContact O-CA 3.27Å; R80-T96 WeakPolarHBondContact O-CA 3.39Å; T81-T96 PolarHBondContact OG1-OG1 3.06Å; T81-T96 VanDerWaalsContact OG1-OG1 3.13Å |
| 97 | Y | 91 | Very high | 93 | Very high | 20 Ų | 20 | 53.8 Ų | 53.8 | 8% | 0.078 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 149.9 | -176 | 66.6 | -85.4 | 0 | 0 | 0 | 111.8 | L29 V42 Y79 R80 V82 V99 | L29-Y97 HydrophobicContact CD2-CD2 4.13Å; L29-Y97 HydrophobicContact CD2-CG 4.01Å; V42-Y97 HydrophobicContact CG1-CE1 3.94Å; V42-Y97 HydrophobicContact CG1-CE2 3.86Å; V42-Y97 VanDerWaalsContact CG1-CZ 3.45Å; V42-Y97 VanDerWaalsContact CG1-OH 3.32Å; V42-Y97 WeakPolarHBondContact CG1-OH 3.02Å; Y79-Y97 WeakPolarHBondContact CA-O 3.39Å; R80-Y97 HydrophobicContact CB-CD1 4.47Å; R80-Y97 HydrophobicContact CB-CE1 3.79Å; R80-Y97 HydrophobicContact CB-CE2 4.12Å; R80-Y97 PolarHBondContact N-O 3.32Å; R80-Y97 VanDerWaalsContact O-CD1 3.23Å; R80-Y97 WeakPolarHBondContact O-CD1 3.29Å; R80-Y97 PolarHBondContact O-N 2.97Å; V82-Y97 HydrophobicContact CB-CE1 4.25Å; V82-Y97 HydrophobicContact CG1-CD1 4.4Å; V82-Y97 HydrophobicContact CG1-CE1 4.42Å; Y97-V99 HydrophobicContact CD2-CG2 4.17Å; Y97-V99 HydrophobicContact CE2-CG2 3.73Å |
| 98 | P | 93.1 | Very high | 92.9 | Very high | 46 Ų | 46 | 54.2 Ų | 54.2 | 30% | 0.299 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 147 | 178.3 | 32.7 | -34.6 | 0 | 0 | 0 | 112.3 | T44 E78 Y79 | T44-P98 PolarHBondContact OG1-O 2.04Å; T44-P98 VanDerWaalsContact OG1-O 3.06Å; E78-P98 CarbonylContact O-C 3.52Å; Y79-P98 HydrophobicContact CD1-CB 4.21Å; Y79-P98 HydrophobicContact CE1-CB 3.98Å |
| 99 | V | 95.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.055 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.3 | 172.9 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | T45 V77 E78 R80 Y97 I101 | T45-V99 WeakPolarHBondContact OG1-CG1 3.46Å; V77-V99 WeakPolarHBondContact CA-O 3.45Å; E78-V99 HydrophobicContact CB-CB 4.47Å; E78-V99 PolarHBondContact N-O 3.45Å; E78-V99 WeakPolarHBondContact O-CB 3Å; E78-V99 PolarHBondContact O-N 3.5Å; R80-V99 HydrophobicContact CB-CG2 4.27Å; R80-V99 HydrophobicContact CG-CG2 3.87Å; Y97-V99 HydrophobicContact CD2-CG2 4.17Å; Y97-V99 HydrophobicContact CE2-CG2 3.73Å; V99-I101 PolarHBondContact O-N 2.03Å |
| 100 | A | 96.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.033 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 116.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P24 T45 Y74 | P24-A100 HydrophobicContact CB-CB 4.22Å; T45-A100 VanDerWaalsContact O-CB 3.3Å; T45-A100 WeakPolarHBondContact O-CB 3.04Å; T45-A100 PolarHBondContact O-N 3.13Å; T45-A100 PolarHBondContact OG1-N 3.4Å; T45-A100 VanDerWaalsContact OG1-N 3.14Å; T45-A100 PolarHBondContact OG1-O 3.41Å; Y74-A100 HydrophobicContact CD1-CB 3.89Å; Y74-A100 HydrophobicContact CE1-CB 3.75Å |
| 101 | I | 96.5 | Very high | 92.7 | Very high | 89 Ų | 89 | 58.8 Ų | 58.8 | 46% | 0.456 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -41.1 | 171.2 | -53.4 | -55.8 | 0 | 0 | 0 | 110 | K76 E78 V99 | K76-I101 HydrophobicContact CB-CB 4.14Å; K76-I101 PolarHBondContact O-N 3.06Å; E78-I101 HydrophobicContact CB-CD1 3.84Å; E78-I101 HydrophobicContact CB-CG1 3.92Å; V99-I101 PolarHBondContact O-N 2.03Å |
| 102 | S | 95.9 | Very high | 92.3 | Very high | 26 Ų | 26 | 66.1 Ų | 66.1 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 154.5 | 172.9 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | D75 K76 | D75-S102 WeakPolarHBondContact CB-OG 3.48Å; D75-S102 PolarHBondContact N-O 3.19Å; D75-S102 PolarHBondContact OD2-OG 3.36Å; K76-S102 VanDerWaalsContact CB-OG 3.29Å; K76-S102 WeakPolarHBondContact CB-OG 3.04Å; K76-S102 WeakPolarHBondContact CG-OG 3.37Å; K76-S102 PolarHBondContact N-O 3.09Å; K76-S102 PolarHBondContact N-OG 3.2Å; K76-S102 PolarHBondContact O-N 2.96Å |
| 103 | C | 95.8 | Very high | 92.1 | Very high | 21 Ų | 21 | 63.6 Ų | 63.6 | 14% | 0.142 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 153.6 | 179.5 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | L23 P24 C47 T73 | L23-C103 VanDerWaalsContact C-SG 3.59Å; P24-C103 VanDerWaalsContact N-SG 3.39Å; C47-C103 WeakPolarHBondContact CA-SG 3.49Å; C47-C103 HydrophobicContact CB-CB 3.73Å; C47-C103 WeakPolarHBondContact CB-SG 3.49Å; C47-C103 VanDerWaalsContact SG-CA 3.58Å; C47-C103 WeakPolarHBondContact SG-CB 3.37Å; C47-C103 CovalentContact SG-SG 2.03Å; C47-C103 PolarHBondContact SG-SG 3.12Å; T73-C103 WeakPolarHBondContact O-CA 3.26Å |
| 104 | H | 95.6 | Very high | 92 | Very high | 60 Ų | 60 | 69.9 Ų | 69.9 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 160.7 | 175.9 | 74.8 | -62.6 | 0 | 0 | 0 | 111.6 | C22 T73 Y74 D75 | C22-H104 PolarHBondContact SG-O 2.82Å; T73-H104 VanDerWaalsContact CG2-CE1 3.49Å; T73-H104 WeakPolarHBondContact CG2-CE1 3.48Å; T73-H104 PolarHBondContact N-O 3.18Å; T73-H104 PolarHBondContact O-N 2.88Å; T73-H104 PolarHBondContact O-ND1 3.25Å; Y74-H104 PolarHBondContact O-CE1 3.07Å; Y74-H104 VanDerWaalsContact O-CE1 3.3Å; Y74-H104 PolarHBondContact O-ND1 2.87Å; D75-H104 HydrophobicContact CB-CB 4.23Å; D75-H104 WeakPolarHBondContact CB-ND1 3.28Å |
| 105 | C | 95.1 | Very high | 91.9 | Very high | 42 Ų | 42 | 71.9 Ų | 71.9 | 28% | 0.284 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 110.4 | 171.8 | -68.6 | 0 | 0 | 0 | 0 | 110.1 | C51 S71 | C51-C105 WeakPolarHBondContact CA-SG 3.08Å; C51-C105 HydrophobicContact CB-CB 3.72Å; C51-C105 WeakPolarHBondContact CB-SG 3.46Å; C51-C105 WeakPolarHBondContact SG-CA 3.34Å; C51-C105 WeakPolarHBondContact SG-CB 3.47Å; C51-C105 CovalentContact SG-SG 2.04Å; C51-C105 PolarHBondContact SG-SG 3.31Å; S71-C105 WeakPolarHBondContact O-CA 3.19Å |
| 106 | G | 93 | Very high | 91.7 | Very high | 9 Ų | 9 | 71.2 Ų | 71.2 | 9% | 0.093 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 179.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R70 S71 | R70-G106 CarbonylContact C-O 3.59Å; R70-G106 VanDerWaalsContact CA-O 3.26Å; R70-G106 WeakPolarHBondContact CA-O 3.32Å; S71-G106 PolarHBondContact N-O 3.12Å; S71-G106 PolarHBondContact O-N 3.39Å |
| 107 | A | 90.8 | Very high | 91 | Very high | 74 Ų | 74 | 75.8 Ų | 75.8 | 61% | 0.612 | 40% | 0.396 | S | S | * | . | trans | -68.6 | 140.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | R109 | A107-R109 PolarHBondContact O-N 3.31Š| ||
| 108 | C | 90.3 | Very high | 90.1 | Very high | 42 Ų | 42 | 84.3 Ų | 84.3 | 28% | 0.284 | 43% | 0.428 | S | S | . | . | trans | -64.5 | 129.6 | 172.9 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | T110 C115 | C108-T110 PolarHBondContact O-N 3.34Å; C108-C115 HydrophobicContact CB-CB 3.85Å; C108-C115 WeakPolarHBondContact CB-SG 3.16Å; C108-C115 WeakPolarHBondContact SG-CA 3.14Å; C108-C115 WeakPolarHBondContact SG-CB 3.18Å; C108-C115 CovalentContact SG-SG 2.03Å; C108-C115 PolarHBondContact SG-SG 3.3Å | ||
| 109 | R | 88.8 | Confident | 88.9 | Confident | 128 Ų | 128 | 87.3 Ų | 87.3 | 48% | 0.483 | 45% | 0.445 | S | S | . | . | trans | -89.8 | 93.6 | -175.1 | -64.8 | -175 | -178.5 | -172.6 | 4.3 | 109.7 | A107 E111 R112 D113 | A107-R109 PolarHBondContact O-N 3.31Å; R109-E111 PolarHBondContact O-N 3.35Å; R109-R112 PolarHBondContact O-N 2.88Å; R109-D113 WeakPolarHBondContact O-CB 3.4Å; R109-D113 PolarHBondContact O-N 2.91Å | ||
| 110 | T | 89.8 | Confident | 87.1 | Confident | 117 Ų | 117 | 92.4 Ų | 92.4 | 72% | 0.718 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.8 | -179 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | C108 R112 C115 | C108-T110 PolarHBondContact O-N 3.34Å; T110-R112 VanDerWaalsContact C-N 3.32Å; T110-C115 HydrophobicContact CG2-CB 4.41Å; T110-C115 VanDerWaalsContact CG2-SG 3.59Å |
| 111 | E | 89.1 | Confident | 85.2 | Confident | 180 Ų | 180 | 97.6 Ų | 97.6 | 84% | 0.841 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -24.6 | 174.5 | -63.3 | 175.9 | -171 | 0 | 0 | 113.4 | R109 | R109-E111 PolarHBondContact O-N 3.35Š|
| 112 | R | 84.5 | Confident | 83 | Confident | 189 Ų | 189 | 102.9 Ų | 102.9 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | -29.1 | -173.5 | -61.5 | -175.7 | -174 | -177.6 | -1.4 | 113.4 | R109 T110 | R109-R112 PolarHBondContact O-N 2.88Å; T110-R112 VanDerWaalsContact C-N 3.32Å |
| 113 | D | 86.8 | Confident | 81.1 | Confident | 51 Ų | 51 | 108.4 Ų | 108.4 | 27% | 0.273 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -113.5 | 142.7 | -172.8 | -53.8 | -42.5 | 0 | 0 | 0 | 110.6 | T73 R109 C115 | T73-D113 PolarHBondContact OG1-OD2 3.48Å; R109-D113 WeakPolarHBondContact O-CB 3.4Å; R109-D113 PolarHBondContact O-N 2.91Å; D113-C115 PolarHBondContact O-N 3.45Å |
| 114 | E | 88.9 | Confident | 79.5 | Confident | 173 Ų | 173 | 109.6 Ų | 109.6 | 81% | 0.808 | 56% | 0.558 | S | S | * | * | trans | -82.6 | 106 | 169.3 | -170.3 | 179.9 | 168.7 | 0 | 0 | 110 | T116 | E114-T116 PolarHBondContact O-N 3.24Š| ||
| 115 | C | 89.6 | Confident | 78.5 | Confident | 66 Ų | 66 | 112.5 Ų | 112.5 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | trans | -83.2 | 79 | -175.9 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | C108 T110 D113 | C108-C115 HydrophobicContact CB-CB 3.85Å; C108-C115 WeakPolarHBondContact CB-SG 3.16Å; C108-C115 WeakPolarHBondContact SG-CA 3.14Å; C108-C115 WeakPolarHBondContact SG-CB 3.18Å; C108-C115 CovalentContact SG-SG 2.03Å; C108-C115 PolarHBondContact SG-SG 3.3Å; T110-C115 HydrophobicContact CG2-CB 4.41Å; T110-C115 VanDerWaalsContact CG2-SG 3.59Å; D113-C115 PolarHBondContact O-N 3.45Å | ||
| 116 | T | 86.9 | Confident | 78 | Confident | 70 Ų | 70 | 112.1 Ų | 112.1 | 43% | 0.429 | 57% | 0.573 | S | S | . | * | trans | -113.3 | 148.9 | 177.7 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | E114 R118 V119 | E114-T116 PolarHBondContact O-N 3.24Å; T116-R118 PolarHBondContact OG1-O 3.29Å; T116-V119 HydrophobicContact CG2-CG2 4.04Å | ||
| 117 | H | 78.8 | Confident | 77.8 | Confident | 175 Ų | 175 | 116.3 Ų | 116.3 | 81% | 0.81 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -72.3 | -29.3 | 179 | -177.7 | -107.8 | 0 | 0 | 0 | 112.6 | ||
| 118 | R | 71.4 | Confident | 77.7 | Confident | 199 Ų | 199 | 115 Ų | 115 | 75% | 0.751 | 59% | 0.587 | S | S | * | * | trans | -144.6 | 126.3 | 174.8 | -71.2 | -173.9 | 174.9 | 163.9 | -1.9 | 109.1 | T116 | T116-R118 PolarHBondContact OG1-O 3.29Š| ||
| 119 | V | 67.1 | Low | 77.7 | Confident | 109 Ų | 109 | 116.9 Ų | 116.9 | 66% | 0.661 | 60% | 0.599 | S | S | * | * | trans | -75.8 | 128.9 | 162.7 | -173.5 | 0 | 0 | 0 | 0 | 106.7 | T116 V121 | T116-V119 HydrophobicContact CG2-CG2 4.04Å; V119-V121 PolarHBondContact O-N 3.4Å | ||
| 120 | N | 58.8 | Low | 77.7 | Confident | 117 Ų | 117 | 114.6 Ų | 114.6 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | trans | -63.1 | 110.7 | 172.2 | -93.7 | -32.7 | 0 | 0 | 0 | 108 | Y122 D123 | N120-Y122 PolarHBondContact O-N 3.37Å; N120-D123 PolarHBondContact O-N 3.22Å | ||
| 121 | V | 56.4 | Low | 77.4 | Confident | 113 Ų | 113 | 115.2 Ų | 115.2 | 69% | 0.685 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -59.3 | -15.4 | 179.3 | -177.9 | 0 | 0 | 0 | 0 | 112 | V119 D123 A124 | V119-V121 PolarHBondContact O-N 3.4Å; V121-D123 PolarHBondContact O-N 3.3Å; V121-A124 WeakPolarHBondContact O-CB 3.15Å; V121-A124 PolarHBondContact O-N 2.98Å |
| 122 | Y | 50.5 | Low | 76.8 | Confident | 200 Ų | 200 | 116.2 Ų | 116.2 | 78% | 0.784 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -61.1 | -24.6 | 170.8 | -70 | -77 | 0 | 0 | 0 | 113.9 | N120 A124 | N120-Y122 PolarHBondContact O-N 3.37Å; Y122-A124 VanDerWaalsContact C-N 3.31Å |
| 123 | D | 55.3 | Low | 76 | Confident | 141 Ų | 141 | 109.9 Ų | 109.9 | 75% | 0.754 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -81.7 | -5.3 | 173.6 | -81.9 | -28.7 | 0 | 0 | 0 | 113.7 | N120 V121 N125 | N120-D123 PolarHBondContact O-N 3.22Å; V121-D123 PolarHBondContact O-N 3.3Å; D123-N125 VanDerWaalsContact C-N 3.3Å |
| 124 | A | 62.9 | Low | 74.7 | Confident | 46 Ų | 46 | 116 Ų | 116 | 38% | 0.38 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -84.3 | -6.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F30 V121 Y122 | F30-A124 VanDerWaalsContact CD2-O 3.27Å; F30-A124 WeakPolarHBondContact CD2-O 3.28Å; V121-A124 WeakPolarHBondContact O-CB 3.15Å; V121-A124 PolarHBondContact O-N 2.98Å; Y122-A124 VanDerWaalsContact C-N 3.31Å |
| 125 | N | 73.9 | Confident | 73 | Confident | 122 Ų | 122 | 113.3 Ų | 113.3 | 65% | 0.652 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -100.4 | 130.9 | -179.5 | -68.4 | -34 | 0 | 0 | 0 | 110.4 | D123 | D123-N125 VanDerWaalsContact C-N 3.3Š|
| 126 | C | 85.3 | Confident | 71 | Confident | 33 Ų | 33 | 118.7 Ų | 118.7 | 22% | 0.223 | 60% | 0.597 | C | S | . | * | trans | -71.9 | 142.1 | 173.7 | -76.2 | 0 | 0 | 0 | 0 | 112.2 | C39 K128 V130 | C39-C126 HydrophobicContact CB-CB 3.29Å; C39-C126 WeakPolarHBondContact CB-SG 3.38Å; C39-C126 WeakPolarHBondContact SG-CB 3.19Å; C39-C126 CovalentContact SG-SG 2Å; C39-C126 PolarHBondContact SG-SG 3.06Å; C126-K128 VanDerWaalsContact C-N 3.34Å; C126-V130 HydrophobicContact CB-CG2 4.04Å | ||
| 127 | A | 87.9 | Confident | 68.7 | Low | 97 Ų | 97 | 122 Ų | 122 | 80% | 0.802 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -78 | -27.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | E32 | E32-A127 PolarHBondContact OE2-N 3.33Š|
| 128 | K | 89.7 | Confident | 67.1 | Low | 46 Ų | 46 | 117.3 Ų | 117.3 | 20% | 0.2 | 62% | 0.618 | C | S | . | * | S | Bend | trans | -94.9 | 157.9 | -179.1 | -69.2 | 177.5 | -166.4 | -177.6 | 0 | 112.9 | E32 K33 P34 C36 C39 C126 V130 | E32-K128 HydrophobicContact CG-CB 4.34Å; E32-K128 HydrophobicContact CG-CD 3.77Å; E32-K128 HydrophobicContact CG-CG 4.25Å; E32-K128 VanDerWaalsContact OE1-CD 3.27Å; E32-K128 WeakPolarHBondContact OE1-CD 3.41Å; E32-K128 WeakPolarHBondContact OE1-CE 3.27Å; E32-K128 VanDerWaalsContact OE1-CG 3.28Å; E32-K128 WeakPolarHBondContact OE1-CG 3.49Å; E32-K128 IonicContact OE1-NZ 3.68Å; E32-K128 PolarHBondContact OE2-N 3.13Å; E32-K128 VanDerWaalsContact OE2-N 3.13Å; K33-K128 PolarHBondContact O-NZ 3.26Å; P34-K128 PolarHBondContact O-NZ 2.91Å; C36-K128 WeakPolarHBondContact O-CD 2.97Å; C36-K128 WeakPolarHBondContact O-CE 3.26Å; C36-K128 PolarHBondContact O-NZ 3.3Å; C39-K128 HydrophobicContact CB-CB 4.27Å; C126-K128 VanDerWaalsContact C-N 3.34Å; K128-V130 PolarHBondContact O-N 3.36Å |
| 129 | P | 89.6 | Confident | 65.9 | Low | 83 Ų | 83 | 112.4 Ų | 112.4 | 54% | 0.539 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 128.5 | 176.4 | 21.8 | -32.8 | 0 | 0 | 0 | 111.6 | Y38 C39 | Y38-P129 HydrophobicContact CD1-CB 4.29Å; Y38-P129 HydrophobicContact CD1-CG 3.82Å; Y38-P129 HydrophobicContact CE1-CG 4.02Å; C39-P129 PolarHBondContact N-O 2.99Å |
| 130 | V | 88.8 | Confident | 64.7 | Low | 79 Ų | 79 | 111 Ų | 111 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.9 | 131.5 | -175.9 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | F30 C39 A41 C126 K128 | F30-V130 HydrophobicContact CD1-CG1 4.32Å; F30-V130 HydrophobicContact CE1-CG1 4.14Å; C39-V130 HydrophobicContact CB-CG2 4.48Å; C39-V130 CarbonylContact O-C 3.59Å; C39-V130 WeakPolarHBondContact O-CA 3.44Å; A41-V130 HydrophobicContact CB-CG1 3.93Å; C126-V130 HydrophobicContact CB-CG2 4.04Å; K128-V130 PolarHBondContact O-N 3.36Å |
| 131 | R | 83.5 | Confident | 64.2 | Low | 131 Ų | 131 | 111.1 Ų | 111.1 | 49% | 0.494 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.2 | 166 | -77.7 | -170.3 | 169.5 | -155.8 | 0.1 | 110.4 | Y38 C39 V40 A41 | Y38-R131 HydrophobicContact CD1-CG 4Å; C39-R131 PolarHBondContact O-N 3.37Å; V40-R131 WeakPolarHBondContact CA-O 3.27Å; A41-R131 PolarHBondContact N-O 3.03Å |
| 132 | R | 75.6 | Confident | 63.4 | Low | 201 Ų | 201 | 115.6 Ų | 115.6 | 76% | 0.758 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.7 | 126.4 | 164.8 | -75.9 | -174.6 | 179.1 | -180 | -0.3 | 108.6 | A41 | A41-R132 HydrophobicContact CB-CG 4.4Å |
| 133 | V | 68.5 | Low | 63 | Low | 56 Ų | 56 | 111.2 Ų | 111.2 | 34% | 0.339 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -83.4 | 118.3 | 167.7 | 168.8 | 0 | 0 | 0 | 0 | 107.3 | V40 V82 | V40-V133 HydrophobicContact CB-CG2 4.36Å; V40-V133 HydrophobicContact CG1-CB 3.95Å; V40-V133 HydrophobicContact CG1-CG2 3.33Å; V40-V133 HydrophobicContact CG2-CG2 4.07Å; V82-V133 HydrophobicContact CG2-CG1 4.39Å; V82-V133 HydrophobicContact CG2-CG2 4.22Å |
| 134 | Y | 58.1 | Low | 62.1 | Low | 180 Ų | 180 | 110.9 Ų | 110.9 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 128.4 | 165.3 | -66.7 | -82.1 | 0 | 0 | 0 | 107.4 | Y136 | Y134-Y136 PolarHBondContact O-N 3.19Š|
| 135 | P | 55.3 | Low | 60.7 | Low | 116 Ų | 116 | 114.2 Ų | 114.2 | 75% | 0.753 | 61% | 0.608 | S | S | * | * | trans | -59.3 | 114.6 | 172.6 | 22.9 | -30 | 0 | 0 | 0 | 108.2 | ||||
| 136 | Y | 45.6 | Very low | 59 | Low | 179 Ų | 179 | 121.1 Ų | 121.1 | 70% | 0.702 | 63% | 0.633 | S | S | * | * | trans | -66.9 | 131.3 | 175.3 | -80 | -83.9 | 0 | 0 | 0 | 108.9 | Y134 G138 Q139 | Y134-Y136 PolarHBondContact O-N 3.19Å; Y136-G138 PolarHBondContact O-N 3.49Å; Y136-Q139 PolarHBondContact O-N 3.29Å | ||
| 137 | P | 39.3 | Very low | 57.6 | Low | 138 Ų | 138 | 125.5 Ų | 125.5 | 90% | 0.896 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 101.1 | 173.4 | 25.5 | -29.8 | 0 | 0 | 0 | 108.5 | ||
| 138 | G | 44.8 | Very low | 56 | Low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.6 | -4.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y136 S140 | Y136-G138 PolarHBondContact O-N 3.49Å; G138-S140 PolarHBondContact O-N 3.23Å |
| 139 | Q | 47.2 | Very low | 54.2 | Low | 97 Ų | 97 | 131.5 Ų | 131.5 | 45% | 0.453 | 67% | 0.67 | S | S | . | * | trans | -71.7 | 99.9 | 174.1 | -167.3 | 158.7 | -14.3 | 0 | 0 | 110 | Y136 N141 | Y136-Q139 PolarHBondContact O-N 3.29Å; Q139-N141 PolarHBondContact O-N 3.01Å | ||
| 140 | S | 42.2 | Very low | 52.1 | Low | 79 Ų | 79 | 134.4 Ų | 134.4 | 55% | 0.552 | 68% | 0.678 | S | S | * | * | trans | -57.6 | 122.1 | 178.2 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | G138 Y142 | G138-S140 PolarHBondContact O-N 3.23Å; S140-Y142 PolarHBondContact O-N 3.13Å; S140-Y142 WeakPolarHBondContact OG-CD2 3.4Å | ||
| 141 | N | 47.6 | Very low | 49.8 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 64% | 0.642 | 69% | 0.69 | S | S | * | * | trans | -77.1 | 12.8 | 178.2 | -67.8 | -53.3 | 0 | 0 | 0 | 113.7 | Q139 M143 | Q139-N141 PolarHBondContact O-N 3.01Å; N141-M143 PolarHBondContact O-N 3.34Å; N141-M143 VanDerWaalsContact O-N 3.1Å | ||
| 142 | Y | 39.4 | Very low | 47.6 | Very low | 206 Ų | 206 | 138.3 Ų | 138.3 | 81% | 0.808 | 70% | 0.703 | S | S | * | * | trans | -77.6 | 103.9 | -179.6 | -62.2 | -59.3 | 0 | 0 | 0 | 110.5 | S140 I144 | S140-Y142 PolarHBondContact O-N 3.13Å; S140-Y142 WeakPolarHBondContact OG-CD2 3.4Å; Y142-I144 PolarHBondContact O-N 3.49Å | ||
| 143 | M | 42.7 | Very low | 45.5 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 54% | 0.537 | 70% | 0.699 | S | S | . | * | trans | -48.1 | 129.7 | 157.6 | -89.5 | 154 | 131.8 | 0 | 0 | 110.5 | Y79 N141 P145 | Y79-M143 VanDerWaalsContact CB-CE 3.49Å; Y79-M143 HydrophobicContact CD2-CE 4.28Å; Y79-M143 HydrophobicContact CG-CE 4.39Å; Y79-M143 WeakPolarHBondContact O-CE 3.29Å; N141-M143 PolarHBondContact O-N 3.34Å; N141-M143 VanDerWaalsContact O-N 3.1Å; M143-P145 VanDerWaalsContact O-CD 3.29Å; M143-P145 WeakPolarHBondContact O-CD 3.44Å | ||
| 144 | I | 35.5 | Very low | 43.8 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | trans | -80 | 110.8 | 154.8 | -58 | 169.8 | 0 | 0 | 0 | 105 | Y142 F146 | Y142-I144 PolarHBondContact O-N 3.49Å; I144-F146 HydrophobicContact CG2-CZ 4.44Å; I144-F146 PolarHBondContact O-N 3.36Å | ||
| 145 | P | 34.5 | Very low | 42.6 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -69.9 | 128.7 | 169.4 | 29.3 | -29.9 | 0 | 0 | 0 | 108.1 | M143 | M143-P145 VanDerWaalsContact O-CD 3.29Å; M143-P145 WeakPolarHBondContact O-CD 3.44Å | ||
| 146 | F | 37.3 | Very low | 41.4 | Very low | 266 Ų | 266 | 138.3 Ų | 138.3 | 100% | 1.167 | 73% | 0.726 | S | S | * | * | trans | -98.2 | 0 | 158.9 | -69.5 | -74.6 | 0 | 0 | 0 | 108.4 | I144 | I144-F146 HydrophobicContact CG2-CZ 4.44Å; I144-F146 PolarHBondContact O-N 3.36Å |
Retrieved 146 of 146 residues in 211.8 ms
(Link to these results)